High-power-density, high-energy-density fluorinated graphene for primary lithium batteries

NASA Astrophysics Data System (ADS)

Zhong, Guiming; Chen, Huixin; Huang, Xingkang; Yue, Hongjun; Lu, Canzhong

2018-03-01

Li/CFx is one of the highest-energy-density primary batteries; however, poor rate capability hinders its practical applications in high-power devices. Here we report a preparation of fluorinated graphene (GFx) with superior performance through a direct gas fluorination. We find that the so-called “semi-ionic” C-F bond content in all C-F bonds presents a more critical impact on rate performance of the GFx in comparison with sp2 C content in the GFx, morphology, structure, and specific surface area of the materials. The rate capability remains excellent before the semi-ionic C-F bond proportion in the GFx decreases. Thus, by optimizing semi-ionic C-F content in our GFx, we obtain the optimal x of 0.8, with which the GF0.8 exhibits a very high energy density of 1073 Wh kg-1 and an excellent power density of 21460 W kg-1 at a high current density of 10 A g-1. More importantly, our approach opens a new avenue to obtain fluorinated carbon with high energy densities without compromising high power densities.

Electrochemistry of the Zinc-Silver Oxide System. Part 2: Practical Measurements of Energy Conversion Using Commercial Miniature Cells.

ERIC Educational Resources Information Center

Smith, Michael J.; Vincent, Colin A.

1989-01-01

Summarizes the quantitative relationships pertaining to the operation of electrochemical cells. Energy conversion efficiency, cycle efficiency, battery power, and energy/power density of two types of zinc-silver oxide cells are discussed. (YP)

“Ni-Less” Cathodes for High Energy Density, Intermediate Temperature Na-NiCl 2 Batteries

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

Chang, Hee-Jung; Lu, Xiaochuan; Bonnett, Jeffery F.

Among various battery technologies being considered for stationary energy storage applications, sodium-metal halide (Na-MH) batteries have become one of the most attractive candidates because of the abundance of raw materials, long cycle life, high energy density, and superior safety. However, one of issues limiting its practical application is the relatively expensive nickel (Ni) used in the cathode. In the present work, we focus on of efforts to develop new Ni-based cathodes, and demonstrate that a much higher specific energy density of 405 Wh/kg (23% higher than state-of-the-art Na-MH batteries) can be achieved at an operating temperature of 190oC. Furthermore, 15%more » less Ni is used in the new cathode than that in conventional Na-NiCl2 batteries. Long-term cycling tests also show stable electrochemical performance for over 300 cycles with excellent capacity retention (~100%). The results in this work indicate that these advances can significantly reduce the raw material cost associated with Ni (a 31% reduction) and promote practical applications of Na-MH battery technologies in stationary energy storage systems.« less

Theoretical Limits of Energy Density in Silicon-Carbon Composite Anode Based Lithium Ion Batteries.

PubMed

Dash, Ranjan; Pannala, Sreekanth

2016-06-17

Silicon (Si) is under consideration as a potential next-generation anode material for the lithium ion battery (LIB). Experimental reports of up to 40% increase in energy density of Si anode based LIBs (Si-LIBs) have been reported in literature. However, this increase in energy density is achieved when the Si-LIB is allowed to swell (volumetrically expand) more than graphite based LIB (graphite-LIB) and beyond practical limits. The volume expansion of LIB electrodes should be negligible for applications such as automotive or mobile devices. We determine the theoretical bounds of Si composition in a Si-carbon composite (SCC) based anode to maximize the volumetric energy density of a LIB by constraining the external dimensions of the anode during charging. The porosity of the SCC anode is adjusted to accommodate the volume expansion during lithiation. The calculated threshold value of Si was then used to determine the possible volumetric energy densities of LIBs with SCC anode (SCC-LIBs) and the potential improvement over graphite-LIBs. The level of improvement in volumetric and gravimetric energy density of SCC-LIBs with constrained volume is predicted to be less than 10% to ensure the battery has similar power characteristics of graphite-LIBs.

Link between Food Energy Density and Body Weight Changes in Obese Adults

PubMed Central

Stelmach-Mardas, Marta; Rodacki, Tomasz; Dobrowolska-Iwanek, Justyna; Brzozowska, Anna; Walkowiak, Jarosław; Wojtanowska-Krosniak, Agnieszka; Zagrodzki, Paweł; Bechthold, Angela; Mardas, Marcin; Boeing, Heiner

2016-01-01

Regulating the energy density of food could be used as a novel approach for successful body weight reduction in clinical practice. The aim of this study was to conduct a systemic review of the literature on the relationship between food energy density and body weight changes in obese adults to obtain solid evidence supporting this approach. The search process was based on the selection of publications in the English language listed in public databases. A meta-analysis was performed to combine individual study results. Thirteen experimental and observational studies were identified and included in the final analysis. The analyzed populations consist of 3628 individuals aged 18 to 66 years. The studies varied greatly in terms of study populations, study design and applied dietary approaches. The meta-analysis revealed a significant association between low energy density foods and body weight reduction, i.e., −0.53 kg when low energy density foods were eaten (95% CI: −0.88, −0.19). In conclusions, this study adds evidence which supports the energy density of food as a simple but effective measure to manage weight in the obese with the aim of weight reduction. PMID:27104562

Graphene and carbon nanotube composite electrodes for supercapacitors with ultra-high energy density.

PubMed

Cheng, Qian; Tang, Jie; Ma, Jun; Zhang, Han; Shinya, Norio; Qin, Lu-Chang

2011-10-21

We describe a graphene and single-walled carbon nanotube (SWCNT) composite film prepared by a blending process for use as electrodes in high energy density supercapacitors. Specific capacitances of 290.6 F g(-1) and 201.0 F g(-1) have been obtained for a single electrode in aqueous and organic electrolytes, respectively, using a more practical two-electrode testing system. In the organic electrolyte the energy density reached 62.8 Wh kg(-1) and the power density reached 58.5 kW kg(-1). The addition of single-walled carbon nanotubes raised the energy density by 23% and power density by 31% more than the graphene electrodes. The graphene/CNT electrodes exhibited an ultra-high energy density of 155.6 Wh kg(-1) in ionic liquid at room temperature. In addition, the specific capacitance increased by 29% after 1000 cycles in ionic liquid, indicating their excellent cyclicity. The SWCNTs acted as a conductive additive, spacer, and binder in the graphene/CNT supercapacitors. This work suggests that our graphene/CNT supercapacitors can be comparable to NiMH batteries in performance and are promising for applications in hybrid vehicles and electric vehicles. This journal is © the Owner Societies 2011

Increased restrictive feeding practices are associated with reduced energy density in 4-6-year-old, multi-ethnic children at ad libitum laboratory test-meals.

PubMed

Sud, Shama; Tamayo, Nina Carmela; Faith, Myles S; Keller, Kathleen L

2010-10-01

Increased reports of restrictive feeding have shown positive relationships to child obesity, however, the mechanism between the two has not been elucidated. This study examined the relationship between reported use of restrictive feeding practices and 4-6-year-old children's self-selected energy density (ED) and total energy intake from an ad libitum, laboratory dinner including macaroni and cheese, string beans, grapes, baby carrots, cheese sticks, pudding, milks, and a variety of sweetened beverages. A second objective explored the relationship between ED and child body mass index (BMI) z-score. Seventy (n=70) healthy children from primarily non-Caucasian and lower socioeconomic status families participated. Mothers completed the Child Feeding Questionnaire (CFQ) to assess restrictive feeding practices. Energy density (kcal/g) values for both foods and drinks (ED(food+drink)) and ED for foods only (ED(foods)) were calculated by dividing the average number of calories consumed by the average weight eaten across 4 meals. Higher maternal restriction was associated with lower ED(food+drink). In overweight and obese children only, higher maternal restriction was associated with lower ED(food). There was a non-significant trend for both ED measures to be negatively associated with child BMI z-score. Overall, restrictive feeding practices were not associated with child BMI z-score. However, when analyzing separate aspects of restriction, parents reported higher use of restricting access to palatable foods but lower use of using palatable foods as rewards with heavier children. Previous reports of positive associations between child obesity and restrictive feeding practices may not apply in predominantly non-Caucasian, lower socioeconomic status cohorts of children.

Stochastic thermodynamics of fluctuating density fields: Non-equilibrium free energy differences under coarse-graining

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

Leonard, T.; Lander, B.; Seifert, U.

2013-11-28

We discuss the stochastic thermodynamics of systems that are described by a time-dependent density field, for example, simple liquids and colloidal suspensions. For a time-dependent change of external parameters, we show that the Jarzynski relation connecting work with the change of free energy holds if the time evolution of the density follows the Kawasaki-Dean equation. Specifically, we study the work distributions for the compression and expansion of a two-dimensional colloidal model suspension implementing a practical coarse-graining scheme of the microscopic particle positions. We demonstrate that even if coarse-grained dynamics and density functional do not match, the fluctuation relations for themore » work still hold albeit for a different, apparent, change of free energy.« less

Efficient Cryosolid Positron Moderators

DTIC Science & Technology

2012-08-01

high purity germanium KE .............................. kinetic energies KED ........................... kinetic energy ...12 10 9 E 160 GJ 160 MJ 160 kJ 160 J 160 mJ 160 µJ practical positron energy storage tabletop γ- laser Ps BEC demo Ps 2 formation demo state of the...magnitude larger than the energy densities of chemical explosives or propellants (!) [5]. Since this annihilation energy is released primarily as low

Determination of the nuclear level densities and radiative strength function for 43 nuclei in the mass interval 28≤A≤200

NASA Astrophysics Data System (ADS)

Knezevic, David; Jovancevic, Nikola; Sukhovoj, Anatoly M.; Mitsyna, Ludmila V.; Krmar, Miodrag; Cong, Vu D.; Hambsch, Franz-Josef; Oberstedt, Stephan; Revay, Zsolt; Stieghorst, Christian; Dragic, Aleksandar

2018-03-01

The determination of nuclear level densities and radiative strength functions is one of the most important tasks in low-energy nuclear physics. Accurate experimental values of these parameters are critical for the study of the fundamental properties of nuclear structure. The step-like structure in the dependence of the level densities p on the excitation energy of nuclei Eex is observed in the two-step gamma cascade measurements for nuclei in the 28 ≤ A ≤ 200 mass region. This characteristic structure can be explained only if a co-existence of quasi-particles and phonons, as well as their interaction in a nucleus, are taken into account in the process of gamma-decay. Here we present a new improvement to the Dubna practical model for the determination of nuclear level densities and radiative strength functions. The new practical model guarantees a good description of the available intensities of the two step gamma cascades, comparable to the experimental data accuracy.

A high-rate long-life Li4Ti5O12/Li[Ni0.45Co0.1Mn1.45]O4 lithium-ion battery.

PubMed

Jung, Hun-Gi; Jang, Min Woo; Hassoun, Jusef; Sun, Yang-Kook; Scrosati, Bruno

2011-11-01

Lithium batteries are receiving considerable attention as storage devices in the renewable energy and sustainable road transport fields. However, low-cost, long-life lithium batteries with higher energy densities are required to facilitate practical application. Here we report a lithium-ion battery that can be cycled at rates as high as 10 C has a life exceeding 500 cycles and an operating temperature range extending from -20 to 55 °C. The estimated energy density is 260 W h kg(-1), which is considerably higher than densities delivered by the presently available Li-ion batteries.

High energy density rechargeable magnesium battery using earth-abundant and non-toxic elements

PubMed Central

Orikasa, Yuki; Masese, Titus; Koyama, Yukinori; Mori, Takuya; Hattori, Masashi; Yamamoto, Kentaro; Okado, Tetsuya; Huang, Zhen-Dong; Minato, Taketoshi; Tassel, Cédric; Kim, Jungeun; Kobayashi, Yoji; Abe, Takeshi; Kageyama, Hiroshi; Uchimoto, Yoshiharu

2014-01-01

Rechargeable magnesium batteries are poised to be viable candidates for large-scale energy storage devices in smart grid communities and electric vehicles. However, the energy density of previously proposed rechargeable magnesium batteries is low, limited mainly by the cathode materials. Here, we present new design approaches for the cathode in order to realize a high-energy-density rechargeable magnesium battery system. Ion-exchanged MgFeSiO4 demonstrates a high reversible capacity exceeding 300 mAh·g−1 at a voltage of approximately 2.4 V vs. Mg. Further, the electronic and crystal structure of ion-exchanged MgFeSiO4 changes during the charging and discharging processes, which demonstrates the (de)insertion of magnesium in the host structure. The combination of ion-exchanged MgFeSiO4 with a magnesium bis(trifluoromethylsulfonyl)imide–triglyme electrolyte system proposed in this work provides a low-cost and practical rechargeable magnesium battery with high energy density, free from corrosion and safety problems. PMID:25011939

High energy density rechargeable magnesium battery using earth-abundant and non-toxic elements

NASA Astrophysics Data System (ADS)

Orikasa, Yuki; Masese, Titus; Koyama, Yukinori; Mori, Takuya; Hattori, Masashi; Yamamoto, Kentaro; Okado, Tetsuya; Huang, Zhen-Dong; Minato, Taketoshi; Tassel, Cédric; Kim, Jungeun; Kobayashi, Yoji; Abe, Takeshi; Kageyama, Hiroshi; Uchimoto, Yoshiharu

2014-07-01

Rechargeable magnesium batteries are poised to be viable candidates for large-scale energy storage devices in smart grid communities and electric vehicles. However, the energy density of previously proposed rechargeable magnesium batteries is low, limited mainly by the cathode materials. Here, we present new design approaches for the cathode in order to realize a high-energy-density rechargeable magnesium battery system. Ion-exchanged MgFeSiO4 demonstrates a high reversible capacity exceeding 300 mAh.g-1 at a voltage of approximately 2.4 V vs. Mg. Further, the electronic and crystal structure of ion-exchanged MgFeSiO4 changes during the charging and discharging processes, which demonstrates the (de)insertion of magnesium in the host structure. The combination of ion-exchanged MgFeSiO4 with a magnesium bis(trifluoromethylsulfonyl)imide-triglyme electrolyte system proposed in this work provides a low-cost and practical rechargeable magnesium battery with high energy density, free from corrosion and safety problems.

Flexible asymmetric supercapacitors with high energy and high power density in aqueous electrolytes.

PubMed

Cheng, Yingwen; Zhang, Hongbo; Lu, Songtao; Varanasi, Chakrapani V; Liu, Jie

2013-02-07

Supercapacitors with both high energy and high power densities are critical for many practical applications. In this paper, we discuss the design and demonstrate the fabrication of flexible asymmetric supercapacitors based on nanocomposite electrodes of MnO(2), activated carbon, carbon nanotubes and graphene. The combined unique properties of each of these components enable highly flexible and mechanically strong films that can serve as electrodes directly without using any current collectors or binders. Using these flexible electrodes and a roll-up approach, asymmetric supercapacitors with 2 V working voltage were successfully fabricated. The fabricated device showed excellent rate capability, with 78% of the original capacitance retained when the scan rate was increased from 2 mV s(-1) to 500 mV s(-1). Owing to the unique composite structure, these supercapacitors were able to deliver high energy density (24 W h kg(-1)) under high power density (7.8 kW kg(-1)) conditions. These features could enable supercapacitor based energy storage systems to be very attractive for a variety of critical applications, such as the power sources in hybrid electric vehicles and the back-up powers for wind and solar energy, where both high energy density and high power density are required.

Theoretical Limits of Energy Density in Silicon-Carbon Composite Anode Based Lithium Ion Batteries

PubMed Central

Dash, Ranjan; Pannala, Sreekanth

2016-01-01

Silicon (Si) is under consideration as a potential next-generation anode material for the lithium ion battery (LIB). Experimental reports of up to 40% increase in energy density of Si anode based LIBs (Si-LIBs) have been reported in literature. However, this increase in energy density is achieved when the Si-LIB is allowed to swell (volumetrically expand) more than graphite based LIB (graphite-LIB) and beyond practical limits. The volume expansion of LIB electrodes should be negligible for applications such as automotive or mobile devices. We determine the theoretical bounds of Si composition in a Si–carbon composite (SCC) based anode to maximize the volumetric energy density of a LIB by constraining the external dimensions of the anode during charging. The porosity of the SCC anode is adjusted to accommodate the volume expansion during lithiation. The calculated threshold value of Si was then used to determine the possible volumetric energy densities of LIBs with SCC anode (SCC-LIBs) and the potential improvement over graphite-LIBs. The level of improvement in volumetric and gravimetric energy density of SCC-LIBs with constrained volume is predicted to be less than 10% to ensure the battery has similar power characteristics of graphite-LIBs. PMID:27311811

Semilocal density functional obeying a strongly tightened bound for exchange

PubMed Central

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

2015-01-01

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

An Asymmetric Supercapacitor with Both Ultra-High Gravimetric and Volumetric Energy Density Based on 3D Ni(OH)2/MnO2@Carbon Nanotube and Activated Polyaniline-Derived Carbon.

PubMed

Shen, Juanjuan; Li, Xiaocheng; Wan, Liu; Liang, Kun; Tay, Beng Kang; Kong, Lingbin; Yan, Xingbin

2017-01-11

Development of a supercapacitor device with both high gravimetric and volumetric energy density is one of the most important requirements for their practical application in energy storage/conversion systems. Currently, improvement of the gravimetric/volumetric energy density of a supercapacitor is restricted by the insufficient utilization of positive materials at high loading density and the inferior capacitive behavior of negative electrodes. To solve these problems, we elaborately designed and prepared a 3D core-shell structured Ni(OH) 2 /MnO 2 @carbon nanotube (CNT) composite via a facile solvothermal process by using the thermal chemical vapor deposition grown-CNTs as support. Owing to the superiorities of core-shell architecture in improving the service efficiency of pseudocapacitive materials at high loading density, the prepared Ni(OH) 2 /MnO 2 @CNT electrode demonstrated a high capacitance value of 2648 F g -1 (1 A g -1 ) at a high loading density of 6.52 mg cm -2 . Coupled with high-performance activated polyaniline-derived carbon (APDC, 400 F g -1 at 1 A g -1 ), the assembled Ni(OH) 2 /MnO 2 @CNT//APDC asymmetric device delivered both high gravimetric and volumetric energy density (126.4 Wh kg -1 and 10.9 mWh cm -3 , respectively), together with superb rate performance and cycling lifetime. Moreover, we demonstrate an effective approach for building a high-performance supercapacitor with high gravimetric/volumetric energy density.

Semilocal density functional obeying a strongly tightened bound for exchange.

PubMed

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

2015-01-20

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

Hybrid chromophore/template nanostructures: a customizable platform material for solar energy storage and conversion.

PubMed

Kolpak, Alexie M; Grossman, Jeffrey C

2013-01-21

Challenges with cost, cyclability, and/or low energy density have largely prevented the development of solar thermal fuels, a potentially attractive alternative energy technology based on molecules that can capture and store solar energy as latent heat in a closed cycle. In this paper, we present a set of novel hybrid photoisomer/template solar thermal fuels that can potentially circumvent these challenges. Using first-principles computations, we demonstrate that these fuels, composed of organic photoisomers bound to inexpensive carbon-based templates, can reversibly store solar energy at densities comparable to Li-ion batteries. Furthermore, we show that variation of the template material in combination with the photoisomer can be used to optimize many of the key performance metrics of the fuel-i.e., the energy density, the storage lifetime, the temperature of the output heat, and the efficiency of the solar-to-heat conversion. Our work suggests that the solar thermal fuels concept can be translated into a practical and highly customizable energy storage and conversion technology.

Orthogonality of embedded wave functions for different states in frozen-density embedding theory

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

Zech, Alexander; Wesolowski, Tomasz A.; Aquilante, Francesco

2015-10-28

Other than lowest-energy stationary embedded wave functions obtained in Frozen-Density Embedding Theory (FDET) [T. A. Wesolowski, Phys. Rev. A 77, 012504 (2008)] can be associated with electronic excited states but they can be mutually non-orthogonal. Although this does not violate any physical principles — embedded wave functions are only auxiliary objects used to obtain stationary densities — working with orthogonal functions has many practical advantages. In the present work, we show numerically that excitation energies obtained using conventional FDET calculations (allowing for non-orthogonality) can be obtained using embedded wave functions which are strictly orthogonal. The used method preserves the mathematicalmore » structure of FDET and self-consistency between energy, embedded wave function, and the embedding potential (they are connected through the Euler-Lagrange equations). The orthogonality is built-in through the linearization in the embedded density of the relevant components of the total energy functional. Moreover, we show formally that the differences between the expectation values of the embedded Hamiltonian are equal to the excitation energies, which is the exact result within linearized FDET. Linearized FDET is shown to be a robust approximation for a large class of reference densities.« less

Carbon nanofibers with radially grown graphene sheets derived from electrospinning for aqueous supercapacitors with high working voltage and energy density

NASA Astrophysics Data System (ADS)

Zhao, Lei; Qiu, Yejun; Yu, Jie; Deng, Xianyu; Dai, Chenglong; Bai, Xuedong

2013-05-01

Improvement of energy density is an urgent task for developing advanced supercapacitors. In this paper, aqueous supercapacitors with high voltage of 1.8 V and energy density of 29.1 W h kg-1 were fabricated based on carbon nanofibers (CNFs) and Na2SO4 electrolyte. The CNFs with radially grown graphene sheets (GSs) and small average diameter down to 11 nm were prepared by electrospinning and carbonization in NH3. The radially grown GSs contain between 1 and a few atomic layers with their edges exposed on the surface. The CNFs are doped with nitrogen and oxygen with different concentrations depending on the carbonizing temperature. The supercapacitors exhibit excellent cycling performance with the capacity retention over 93.7% after 5000 charging-discharging cycles. The unique structure, possessing radially grown GSs, small diameter, and heteroatom doping of the CNFs, and application of neutral electrolyte account for the high voltage and energy density of the present supercapacitors. The present supercapacitors are of high promise for practical application due to the high energy density and the advantages of neutral electrolyte including low cost, safety, low corrosivity, and convenient assembly in air.

Metal hydride-based thermal energy storage systems

DOEpatents

Vajo, John J.; Fang, Zhigang

2017-10-03

The invention provides a thermal energy storage system comprising a metal-containing first material with a thermal energy storage density of about 1300 kJ/kg to about 2200 kJ/kg based on hydrogenation; a metal-containing second material with a thermal energy storage density of about 200 kJ/kg to about 1000 kJ/kg based on hydrogenation; and a hydrogen conduit for reversibly transporting hydrogen between the first material and the second material. At a temperature of 20.degree. C. and in 1 hour, at least 90% of the metal is converted to the hydride. At a temperature of 0.degree. C. and in 1 hour, at least 90% of the metal hydride is converted to the metal and hydrogen. The disclosed metal hydride materials have a combination of thermodynamic energy storage densities and kinetic power capabilities that previously have not been demonstrated. This performance enables practical use of thermal energy storage systems for electric vehicle heating and cooling.

Practice of martial arts and bone mineral density in adolescents of both sexes

PubMed Central

Ito, Igor Hideki; Mantovani, Alessandra Madia; Agostinete, Ricardo Ribeiro; Costa, Paulo; Zanuto, Edner Fernando; Christofaro, Diego Giulliano Destro; Ribeiro, Luis Pedro; Fernandes, Rômulo Araújo

2016-01-01

Abstract Objective: The purpose of this study was to analyze the relationship between martial arts practice (judo, karate and kung-fu) and bone mineral density in adolescents. Methods: The study was composed of 138 (48 martial arts practitioners and 90 non-practitioners) adolescents of both sexes, with an average age of 12.6 years. Bone mineral density was measured using Dual-Energy X-ray Absorptiometry in arms, legs, spine, trunk, pelvis and total. Weekly training load and previous time of engagement in the sport modality were reported by the coach. Partial correlation tested the association between weekly training load and bone mineral density, controlled by sex, chronological age, previous practice and somatic maturation. Analysis of covariance was used to compare bone mineral density values according to control and martial arts groups, controlled by sex, chronological age, previous practice and somatic maturation. Significant relationships between bone mineral density and muscle mass were inserted into a multivariate model and the slopes of the models were compared using the Student t test (control versus martial art). Results: Adolescents engaged in judo practice presented higher values of bone mineral density than the control individuals (p-value=0.042; Medium Effect size [Eta-squared=0.063]), while the relationship between quantity of weekly training and bone mineral density was significant among adolescents engaged in judo (arms [r=0.308] and legs [r=0.223]) and kung-fu (arms [r=0.248] and spine [r=0.228]). Conclusions: Different modalities of martial arts are related to higher bone mineral density in different body regions among adolescents. PMID:27017002

Functional renormalization group and Kohn-Sham scheme in density functional theory

NASA Astrophysics Data System (ADS)

Liang, Haozhao; Niu, Yifei; Hatsuda, Tetsuo

2018-04-01

Deriving accurate energy density functional is one of the central problems in condensed matter physics, nuclear physics, and quantum chemistry. We propose a novel method to deduce the energy density functional by combining the idea of the functional renormalization group and the Kohn-Sham scheme in density functional theory. The key idea is to solve the renormalization group flow for the effective action decomposed into the mean-field part and the correlation part. Also, we propose a simple practical method to quantify the uncertainty associated with the truncation of the correlation part. By taking the φ4 theory in zero dimension as a benchmark, we demonstrate that our method shows extremely fast convergence to the exact result even for the highly strong coupling regime.

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

Yu, T. P., E-mail: tongpu@nudt.edu.cn; Shao, F. Q.; Zou, D. B.

By using two-dimensional particle-in-cell simulations, we propose a scheme for strong coupling of a petawatt laser with an opening gold cone filled with near-critical-density plasmas. When relevant parameters are properly chosen, most laser energy can be fully deposited inside the cone with only 10% leaving the tip opening. Due to the asymmetric ponderomotive acceleration by the strongly decayed laser pulse, high-energy-density electrons with net laser energy gain are accumulated inside the cone, which then stream out of the tip opening continuously, like a jet. The jet electrons are fully relativistic, with speeds around 0.98−0.998 c and densities at 10{sup 20}/cm{sup 3}more » level. The jet can keep for a long time over 200 fs, which may have diverse applications in practice.« less

Practical auxiliary basis implementation of Rung 3.5 functionals

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

Janesko, Benjamin G., E-mail: b.janesko@tcu.edu; Scalmani, Giovanni; Frisch, Michael J.

2014-07-21

Approximate exchange-correlation functionals for Kohn-Sham density functional theory often benefit from incorporating exact exchange. Exact exchange is constructed from the noninteracting reference system's nonlocal one-particle density matrix γ(r{sup -vector},r{sup -vector}′). Rung 3.5 functionals attempt to balance the strengths and limitations of exact exchange using a new ingredient, a projection of γ(r{sup -vector},r{sup -vector} ′) onto a semilocal model density matrix γ{sub SL}(ρ(r{sup -vector}),∇ρ(r{sup -vector}),r{sup -vector}−r{sup -vector} ′). γ{sub SL} depends on the electron density ρ(r{sup -vector}) at reference point r{sup -vector}, and is closely related to semilocal model exchange holes. We present a practical implementation of Rung 3.5 functionals, expandingmore » the r{sup -vector}−r{sup -vector} ′ dependence of γ{sub SL} in an auxiliary basis set. Energies and energy derivatives are obtained from 3D numerical integration as in standard semilocal functionals. We also present numerical tests of a range of properties, including molecular thermochemistry and kinetics, geometries and vibrational frequencies, and bandgaps and excitation energies. Rung 3.5 functionals typically provide accuracy intermediate between semilocal and hybrid approximations. Nonlocal potential contributions from γ{sub SL} yield interesting successes and failures for band structures and excitation energies. The results enable and motivate continued exploration of Rung 3.5 functional forms.« less

High-Energy-Density Metal-Oxygen Batteries: Lithium-Oxygen Batteries vs Sodium-Oxygen Batteries.

PubMed

Song, Kyeongse; Agyeman, Daniel Adjei; Park, Mihui; Yang, Junghoon; Kang, Yong-Mook

2017-12-01

The development of next-generation energy-storage devices with high power, high energy density, and safety is critical for the success of large-scale energy-storage systems (ESSs), such as electric vehicles. Rechargeable sodium-oxygen (Na-O 2 ) batteries offer a new and promising opportunity for low-cost, high-energy-density, and relatively efficient electrochemical systems. Although the specific energy density of the Na-O 2 battery is lower than that of the lithium-oxygen (Li-O 2 ) battery, the abundance and low cost of sodium resources offer major advantages for its practical application in the near future. However, little has so far been reported regarding the cell chemistry, to explain the rate-limiting parameters and the corresponding low round-trip efficiency and cycle degradation. Consequently, an elucidation of the reaction mechanism is needed for both lithium-oxygen and sodium-oxygen cells. An in-depth understanding of the differences and similarities between Li-O 2 and Na-O 2 battery systems, in terms of thermodynamics and a structural viewpoint, will be meaningful to promote the development of advanced metal-oxygen batteries. State-of-the-art battery design principles for high-energy-density lithium-oxygen and sodium-oxygen batteries are thus reviewed in depth here. Major drawbacks, reaction mechanisms, and recent strategies to improve performance are also summarized. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Battery technologies for large-scale stationary energy storage.

PubMed

Soloveichik, Grigorii L

2011-01-01

In recent years, with the deployment of renewable energy sources, advances in electrified transportation, and development in smart grids, the markets for large-scale stationary energy storage have grown rapidly. Electrochemical energy storage methods are strong candidate solutions due to their high energy density, flexibility, and scalability. This review provides an overview of mature and emerging technologies for secondary and redox flow batteries. New developments in the chemistry of secondary and flow batteries as well as regenerative fuel cells are also considered. Advantages and disadvantages of current and prospective electrochemical energy storage options are discussed. The most promising technologies in the short term are high-temperature sodium batteries with β″-alumina electrolyte, lithium-ion batteries, and flow batteries. Regenerative fuel cells and lithium metal batteries with high energy density require further research to become practical.

Impact of portion size and energy density on snack intake in preschool-aged children.

PubMed

Looney, Shannon M; Raynor, Hollie A

2011-03-01

The influence of dietary environmental factors on child weight status may be important in the battle against childhood obesity. Portion size and energy density are factors shown to impact entrée energy intake in children. However, the influence of these factors on child snack energy intake has not been studied. Thus, the aim of this study was to investigate the impact of portion size on intake of a lower energy-dense and higher energy-dense snack in preschool-aged children. A 2×2 crossover design (within-subject factors of portion size and energy density) was conducted on Wednesdays in a preschool setting on the University of Tennessee campus from October 2008 to November 2008. Seventeen children had complete data (age 3.8±0.6 years; 10 of 17 were female; 14 of 17 were white). Foods were applesauce (lower energy dense=0.43 kcal/g) and chocolate pudding (higher energy dense=1.19 kcal/g), and portion sizes were 150 g (small) and 300 g (large). Measures included anthropometrics, hunger, liking of foods, and caretakers' child-feeding practices using validated instruments. Mixed factorial analyses of covariance, with order controlled, analyzed gram and energy snack intake across conditions. There was no significant main effect of energy density on snack intake, but the main effect of portion size on snack intake (small portion size 84.2±30.8 kcal, large portion size 99.0±52.5 kcal; P<0.05) was significant. Results indicate increased energy intake when snacks are offered in larger portion size, regardless of energy density. Snack portion size may be an environmental strategy that can reduce excessive energy intake in children. Copyright © 2011 American Dietetic Association. Published by Elsevier Inc. All rights reserved.

[Practice of martial arts and bone mineral density in adolescents of both sexes].

PubMed

Ito, Igor Hideki; Mantovani, Alessandra Madia; Agostinete, Ricardo Ribeiro; Costa Junior, Paulo; Zanuto, Edner Fernando; Christofaro, Diego Giulliano Destro; Ribeiro, Luis Pedro; Fernandes, Rômulo Araújo

2016-06-01

The purpose of this study was to analyze the relationship between martial arts practice (judo, karate and kung-fu) and bone mineral density in adolescents. The study was composed of 138 (48 martial arts practitioners and 90 non-practitioners) adolescents of both sexes, with an average age of 12.6 years. Bone mineral density was measured using Dual-Energy X-ray Absorptiometry in arms, legs, spine, trunk, pelvis and total. Weekly training load and previous time of engagement in the sport modality were reported by the coach. Partial correlation tested the association between weekly training load and bone mineral density, controlled by sex, chronological age, previous practice and somatic maturation. Analysis of covariance was used to compare bone mineral density values according to control and martial arts groups, controlled by sex, chronological age, previous practice and somatic maturation. Significant relationships between bone mineral density and muscle mass were inserted into a multivariate model and the slopes of the models were compared using the Student t test (control versus martial art). Adolescents engaged in judo practice presented higher values of bone mineral density than the control individuals (p-value=0.042; Medium Effect size [Eta-squared=0.063]), while the relationship between quantity of weekly training and bone mineral density was significant among adolescents engaged in judo (arms [r=0.308] and legs [r=0.223]) and kung-fu (arms [r=0.248] and spine [r=0.228]). Different modalities of martial arts are related to higher bone mineral density in different body regions among adolescents. Copyright © 2015 Sociedade de Pediatria de São Paulo. Publicado por Elsevier Editora Ltda. All rights reserved.

Increased energy density of the home-delivered lunch meal improves 24-hour nutrient intakes in older adults.

PubMed

Silver, Heidi J; Dietrich, Mary S; Castellanos, Victoria H

2008-12-01

As food intake declines with aging, older adults develop energy and nutrient inadequacies. It is important to design practical approaches to combat insufficient dietary intakes to decrease risk for acute and chronic diseases, illness, and injury. Manipulating the energy density of meals has improved energy intakes in institutional settings, but the effects on community-residing older adults who are at nutrition risk have not been investigated. The aim of this study was to determine whether enhancing the energy density of food items regularly served in a home-delivered meals program would increase lunch and 24-hour energy and nutrient intakes. In a randomized crossover counterbalanced design, 45 older adult Older American Act Nutrition Program participants received a regular and enhanced version of a lunch meal on alternate weeks. The types of foods, portion sizes (gram weight), and appearance of the lunch meal was held constant. Consumption of the enhanced meal increased average lunch energy intakes by 86% (P<0.001) and 24-hour energy intakes by 453 kcal (from 1,423.1+/-62.2 to 1,876.2+/-78.3 kcal, P<0.001). The 24-hour intakes of several key macronutrients and micronutrients also improved. These data suggest that altering the energy density of regularly served menu items is an effective strategy to improve dietary intakes of free-living older adults.

One-step electrodeposited nickel cobalt sulfide nanosheet arrays for high-performance asymmetric supercapacitors.

PubMed

Chen, Wei; Xia, Chuan; Alshareef, Husam N

2014-09-23

A facile one-step electrodeposition method is developed to prepare ternary nickel cobalt sulfide interconnected nanosheet arrays on conductive carbon substrates as electrodes for supercapacitors, resulting in exceptional energy storage performance. Taking advantages of the highly conductive, mesoporous nature of the nanosheets and open framework of the three-dimensional nanoarchitectures, the ternary sulfide electrodes exhibit high specific capacitance (1418 F g(-1) at 5 A g(-1) and 1285 F g(-1) at 100 A g(-1)) with excellent rate capability. An asymmetric supercapacitor fabricated by the ternary sulfide nanosheet arrays as positive electrode and porous graphene film as negative electrode demonstrates outstanding electrochemical performance for practical energy storage applications. Our asymmetric supercapacitors show a high energy density of 60 Wh kg(-1) at a power density of 1.8 kW kg(-1). Even when charging the cell within 4.5 s, the energy density is still as high as 33 Wh kg(-1) at an outstanding power density of 28.8 kW kg(-1) with robust long-term cycling stability up to 50,000 cycles.

Advanced rechargeable sodium batteries with novel cathodes

NASA Technical Reports Server (NTRS)

Distefano, S.; Ratnakumar, B. V.; Bankston, C. P.

1989-01-01

Various high energy density rechargeable batteries are being considered for future space applications. Of these, the sodium-sulfur battery is one of the leading candidates. The primary advantage is the high energy density (760 Wh/kg theoretical). Energy densities in excess of 180 Wh/kg were realized in practical batteries. Other technological advantages include its chemical simplicity, absence of self-discharge, and long cycle life possibility. More recently, other high temperature sodium batteries have come into the spotlight. These systems can be described as follow: Na/Beta Double Prime-Al2O3/NaAlCl4/Metal Dichloride Sodium/metal dichloride systems are colloquially known as the zebra system and are currently being developed for traction and load leveling applications. The sodium-metal dichloride systems appear to offer many of the same advantages of the Na/S system, especially in terms of energy density and chemical simplicity. The metal dichloride systems offer increased safety and good resistance to overcharge and operate over a wide range of temperatures from 150 to 400 C with less corrosion problems.

Photoswitchable Molecular Rings for Solar-Thermal Energy Storage.

PubMed

Durgun, E; Grossman, Jeffrey C

2013-03-21

Solar-thermal fuels reversibly store solar energy in the chemical bonds of molecules by photoconversion, and can release this stored energy in the form of heat upon activation. Many conventional photoswichable molecules could be considered as solar thermal fuels, although they suffer from low energy density or short lifetime in the photoinduced high-energy metastable state, rendering their practical use unfeasible. We present a new approach to the design of chemistries for solar thermal fuel applications, wherein well-known photoswitchable molecules are connected by different linker agents to form molecular rings. This approach allows for a significant increase in both the amount of stored energy per molecule and the stability of the fuels. Our results suggest a range of possibilities for tuning the energy density and thermal stability as a function of the type of the photoswitchable molecule, the ring size, or the type of linkers.

A Robust Hybrid Zn-Battery with Ultralong Cycle Life.

PubMed

Li, Bing; Quan, Junye; Loh, Adeline; Chai, Jianwei; Chen, Ye; Tan, Chaoliang; Ge, Xiaoming; Hor, T S Andy; Liu, Zhaolin; Zhang, Hua; Zong, Yun

2017-01-11

Advanced batteries with long cycle life and capable of harnessing more energies from multiple electrochemical reactions are both fundamentally interesting and practically attractive. Herein, we report a robust hybrid zinc-battery that makes use of transition-metal-based redox reaction (M-O-OH → M-O, M = Ni and Co) and oxygen reduction reaction (ORR) to deliver more electrochemical energies of comparably higher voltage with much longer cycle life. The hybrid battery was constructed using an integrated electrode of NiCo 2 O 4 nanowire arrays grown on carbon-coated nickel foam, coupled with a zinc plate anode in alkaline electrolyte. Benefitted from the M-O/M-O-OH redox reactions and rich ORR active sites in NiCo 2 O 4 , the battery has concurrently exhibited high working voltage (by M-O-OH → M-O) and high energy density (by ORR). The good oxygen evolution reaction (OER) activity of the electrode and the reversible M-O ↔ M-O-OH reactions also enabled smooth recharging of the batteries, leading to excellent cycling stabilities. Impressively, the hybrid batteries maintained highly stable charge-discharge voltage profile under various testing conditions, for example, almost no change was observed over 5000 cycles at a current density of 5 mA cm -2 after some initial stabilization. With merits of higher working voltage, high energy density, and ultralong cycle life, such hybrid batteries promise high potential for practical applications.

Understanding density functional theory (DFT) and completing it in practice

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

Bagayoko, Diola

2014-12-15

We review some salient points in the derivation of density functional theory (DFT) and of the local density approximation (LDA) of it. We then articulate an understanding of DFT and LDA that seems to be ignored in the literature. We note the well-established failures of many DFT and LDA calculations to reproduce the measured energy gaps of finite systems and band gaps of semiconductors and insulators. We then illustrate significant differences between the results from self consistent calculations using single trial basis sets and those from computations following the Bagayoko, Zhao, and Williams (BZW) method, as enhanced by Ekuma andmore » Franklin (BZW-EF). Unlike the former, the latter calculations verifiably attain the absolute minima of the occupied energies, as required by DFT. These minima are one of the reasons for the agreement between their results and corresponding, experimental ones for the band gap and a host of other properties. Further, we note predictions of DFT BZW-EF calculations that have been confirmed by experiment. Our subsequent description of the BZW-EF method ends with the application of the Rayleigh theorem in the selection, among the several calculations the method requires, of the one whose results have a full, physics content ascribed to DFT. This application of the Rayleigh theorem adds to or completes DFT, in practice, to preserve the physical content of unoccupied, low energy levels. Discussions, including implications of the method, and a short conclusion follow the description of the method. The successive augmentation of the basis set in the BZW-EF method, needed for the application of the Rayleigh theorem, is also necessary in the search for the absolute minima of the occupied energies, in practice.« less

Energy Deficit Required for Rapid Weight Loss in Elite Collegiate Wrestlers.

PubMed

Kondo, Emi; Sagayama, Hiroyuki; Yamada, Yosuke; Shiose, Keisuke; Osawa, Takuya; Motonaga, Keiko; Ouchi, Shiori; Kamei, Akiko; Nakajima, Kohei; Higaki, Yasuki; Tanaka, Hiroaki; Takahashi, Hideyuki; Okamura, Koji

2018-04-26

To determine energy density for rapid weight loss (RWL) of weight-classified sports, eight male elite wrestlers were instructed to lose 6% of body mass (BM) within 53 h. Energy deficit during the RWL was calculated by subtracting total energy expenditure (TEE) determined using the doubly labeled water method (DLW) from energy intake (EI) assessed with diet records. It was also estimated from body composition change estimated with the four-component model (4C) and other conventional methods. BM decreased significantly by 4.7 ± 0.5 kg (6.4 ± 0.5%). Total body water loss was the major component of the BM loss (71.0 ± 7.6%). TEE was 9446 ± 1422 kcal, and EI was 2366 ± 1184 kcal during the RWL of 53-h; therefore, the energy deficit was 7080 ± 1525 kcal. Thus, energy density was 1507 ± 279 kcal/kg ∆BM during the RWL, comparable with values obtained using the 4C, three-component model, dual energy X-ray absorptiometry, and stable isotope dilution. Energy density for RWL of wrestlers is lower than that commonly used (7400 or 7700 kcal/kg ΔBM). Although RWL is not recommended, we propose that commonly practiced extreme energy restriction such as 7400 or 7700 kcal/kg ΔBM during RWL appears to be meaningless.

High Energy-Density and Reversibility of Iron Fluoride Cathode Enabled Via an Intercalation-Extrusion Reaction

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

Fan, Xiulin; Hu, Enyuan; Ji, Xiao

Iron fluoride, an intercalation-conversion cathode for lithium ion batteries, promises a high theoretical energy density of 1922 Wh Kg –1. However, poor electrochemical reversibility due to repeated breaking/reformation of metal-fluoride bonds poses a grand challenge for its practical application. Here we report that both a high reversibility over 1000 cycles and a high capacity of 420 mAh g –1 can be realized by concerted doping of cobalt and oxygen into iron fluoride. In the doped nanorods, an energy density of ~1000 Wh Kg –1 with a decay rate of 0.03% per cycle is achieved. The anion and cation’s co-substitutions thermodynamicallymore » reduce conversion-reaction potential and shift the reaction from less reversible intercalation-conversion reaction in iron fluoride to a highly reversible intercalation-extrusion reaction in doped material. Furthermore, the co-substitution strategy to tune the thermodynamic features of the reactions could be extended to other high energy conversion materials for improved performance.« less

High Energy-Density and Reversibility of Iron Fluoride Cathode Enabled Via an Intercalation-Extrusion Reaction

DOE PAGES

Fan, Xiulin; Hu, Enyuan; Ji, Xiao; ...

2018-05-30

Iron fluoride, an intercalation-conversion cathode for lithium ion batteries, promises a high theoretical energy density of 1922 Wh Kg –1. However, poor electrochemical reversibility due to repeated breaking/reformation of metal-fluoride bonds poses a grand challenge for its practical application. Here we report that both a high reversibility over 1000 cycles and a high capacity of 420 mAh g –1 can be realized by concerted doping of cobalt and oxygen into iron fluoride. In the doped nanorods, an energy density of ~1000 Wh Kg –1 with a decay rate of 0.03% per cycle is achieved. The anion and cation’s co-substitutions thermodynamicallymore » reduce conversion-reaction potential and shift the reaction from less reversible intercalation-conversion reaction in iron fluoride to a highly reversible intercalation-extrusion reaction in doped material. Furthermore, the co-substitution strategy to tune the thermodynamic features of the reactions could be extended to other high energy conversion materials for improved performance.« less

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

Ruther, Rose E.; Sun, Che -Nan; Holliday, Adam

A simple electrolyte consisting of NaPF 6 salt in 1,2-dimethoxyethane (DME) can extend the voltage window of electric double-layer capacitors (EDLCs) to >3.5 V. DME does not passivate carbon electrodes at very negative potentials (near Na/Na +), extending the practical voltage window by about 1.0 V compared to standard, non-aqueous electrolytes based on acetonitrile. The voltage window is demonstrated in two- and three-electrode cells using a combination of electrochemical impedance spectroscopy (EIS), charge-discharge cycling, and measurements of leakage current. DME-based electrolytes cannot match the high conductivity of acetonitrile solutions, but they can satisfy applications that demand high energy density atmore » moderate power. The conductivity of NaPF 6 in DME is comparable to commercial lithium-ion battery electrolytes and superior to most ionic liquids. Lastly, factors that limit the voltage window and EDLC energy density are discussed, and strategies to further boost energy density are proposed.« less

Capacitance of carbon-based electrical double-layer capacitors.

PubMed

Ji, Hengxing; Zhao, Xin; Qiao, Zhenhua; Jung, Jeil; Zhu, Yanwu; Lu, Yalin; Zhang, Li Li; MacDonald, Allan H; Ruoff, Rodney S

2014-01-01

Experimental electrical double-layer capacitances of porous carbon electrodes fall below ideal values, thus limiting the practical energy densities of carbon-based electrical double-layer capacitors. Here we investigate the origin of this behaviour by measuring the electrical double-layer capacitance in one to five-layer graphene. We find that the capacitances are suppressed near neutrality, and are anomalously enhanced for thicknesses below a few layers. We attribute the first effect to quantum capacitance effects near the point of zero charge, and the second to correlations between electrons in the graphene sheet and ions in the electrolyte. The large capacitance values imply gravimetric energy storage densities in the single-layer graphene limit that are comparable to those of batteries. We anticipate that these results shed light on developing new theoretical models in understanding the electrical double-layer capacitance of carbon electrodes, and on opening up new strategies for improving the energy density of carbon-based capacitors.

Food intake regulation in children. Fat and sugar substitutes and intake.

PubMed

Birch, L L; Fisher, J O

1997-05-23

A series of experiments exploring children's responsiveness to manipulations of energy density and macronutrient content of foods have been reviewed to assess the nutritional impact of macronutrient substitutes on children's intake. In these experiments, the focus is on the extent to which the energy content of foods was a salient factor influencing children's food intake, and macronutrient substitutes were used as tools to investigate this issue. Therefore, although several different macronutrient substitutes have been used in this research, we do not have a parametric set of experiments systematically assessing the impact of a variety of macronutrient substitutes. Given this, what can we conclude from the existing data? When the energy density and macronutrient content of foods is altered through the use of macronutrient substitutes that reduce the energy content of foods, children tend to adjust for the missing energy, although this adjustment may be partial and incomplete. This suggests the possibility that when macronutrient substitutes are used to reduce the energy content of foods, children's energy intake may be reduced. This adjustment, however, will most likely be less than a "calorie for calorie" reduction. In addition, even among young children, there are individual differences in the extent to which children adjust their intake in response to macronutrient and energy manipulations. The data are more extensive and particularly clear for cases in which CHO manipulations are used to alter energy density, but there is evidence for adjustments in energy intake in response to alterations of the fat content of the diet. The compensation for energy is not macronutrient specific; that is, when the fat content of food is reduced to reduce energy density of foods, children do not selectively consume fat in subsequent meals. This means that manipulations of macronutrient content of foods that reduce foods' energy content may not result in alterations of energy intake, but because these adjustments in energy intake are not macronutrient specific, changes in the overall macronutrient composition of children's diets can be obtained. There does not appear to be anything unique or special about the effects of macronutrient substitutes on children's intake; their effects are similar to those produced by other manipulations of macronutrient and energy content accomplished without macronutrient substitutes (e.g., augmenting foods with fat or carbohydrate to produce macronutrient differences). The research also indicates that under conditions that minimize adult attempts to control how much and what children eat, children can adjust their food and energy intake in response to the alterations of macronutrient and energy content of foods. Whether or not young children adjust food intake to compensate for energy-density changes depends upon their opportunity to control their own food intake as opposed to having their intake controlled by others. Young children's ability to adjust intake in response to alterations in the energy density of foods can be readily disrupted by the imposition of controlling child-feeding practices that attempt to regulate what and how much children eat. We believe that early experiences, including child-feeding practices imposed by parents, are major factors contributing to the etiology of individual differences and gender differences in the behavioral controls of food intake that can occur in response to the energy content of foods. The extent to which children respond to energy density of the diet has major implications for the effects of fat and sugar substitutes on children's intake. If children who are responsive to energy density consume substantial amounts of foods containing macronutrient substitutes, they should show some adjustments in intake to compensate for reduced energy, so that the impact of macronutrient substitutes on energy intake may be relatively small. However, changes in macronutrient com

Understanding the structure and structural degradation mechanisms in high-voltage lithium-ion battery cathode oxides. A review of materials diagnostics

DOE PAGES

Mohanty, Debasish; Li, Jianlin; Nagpure, Shrikant C; ...

2015-12-21

Materials diagnostic techniques are the principal tools used in the development of low-cost, high-performance electrodes for next-generation lithium-based energy storage technologies. Also, this review highlights the importance of materials diagnostic techniques in unraveling the structure and the structural degradation mechanisms in high-voltage, high-capacity oxides that have the potential to be implemented in high-energy-density lithium-ion batteries for transportation that can use renewable energy and is less-polluting than today. The rise in CO 2 concentration in the earth’s atmosphere due to the use of petroleum products in vehicles and the dramatic increase in the cost of gasoline demand the replacement of currentmore » internal combustion engines in our vehicles with environmentally friendly, carbon free systems. Therefore, vehicles powered fully/partially by electricity are being introduced into today’s transportation fleet. As power requirements in all-electric vehicles become more demanding, lithium-ion battery (LiB) technology is now the potential candidate to provide higher energy density. Moreover, discovery of layered high-voltage lithium-manganese–rich (HV-LMR) oxides has provided a new direction toward developing high-energy-density LiBs because of their ability to deliver high capacity (~250 mA h/g) and to be operated at high operating voltage (~4.7 V). Unfortunately, practical use of HV-LMR electrodes is not viable because of structural changes in the host oxide during operation that can lead to fundamental and practical issues. This article provides the current understanding on the structure and structural degradation pathways in HV-LMR oxides, and manifests the importance of different materials diagnostic tools to unraveling the key mechanism(s). Furthermore, the fundamental insights reported, might become the tools to manipulate the chemical and/or structural aspects of HV-LMR oxides for low cost, high-energy-density LiB applications.« less

A Class of Organopolysulfides As Liquid Cathode Materials for High-Energy-Density Lithium Batteries.

PubMed

Bhargav, Amruth; Bell, Michaela Elaine; Karty, Jonathan; Cui, Yi; Fu, Yongzhu

2018-06-27

Sulfur-based cathodes are promising to enable high-energy-density lithium-sulfur batteries; however, elemental sulfur as active material faces several challenges, including undesirable volume change (∼80%) when completely reduced and high dependence on liquid electrolyte wherein an electrolyte/sulfur ratio >10 μL mg -1 is required for high material utilization. These limit the attainable energy densities of these batteries. Herein, we introduce a new class of phenyl polysulfides C 6 H 5 S x C 6 H 5 (4 ≤ x ≤ 6) as liquid cathode materials synthesized in a facile and scalable route to mitigate these setbacks. These polysulfides possess sufficiently high theoretical specific capacities, specific energies, and energy densities. Spectroscopic techniques verify their chemical composition and computation shows that the volume change when reduced is about 37%. Lithium half-cell testing shows that phenyl hexasulfide (C 6 H 5 S 6 C 6 H 5 ) can provide a specific capacity of 650 mAh g -1 and capacity retention of 80% through 500 cycles at 1 C rate along with superlative performance up to 10 C. Furthermore, 1302 Wh kg -1 and 1720 Wh L -1 are achievable at a low electrolyte/active material ratio, i.e., 3 μL mg -1 . This work adds new members to the cathode family for Li-S batteries, reduces the gap between the theoretical and practical energy densities of batteries, and provides a new direction for the development of alternative high-capacity cathode materials.

Structural design of graphene for use in electrochemical energy storage devices.

PubMed

Chen, Kunfeng; Song, Shuyan; Liu, Fei; Xue, Dongfeng

2015-10-07

There are many practical challenges in the use of graphene materials as active components in electrochemical energy storage devices. Graphene has a much lower capacitance than the theoretical capacitance of 550 F g(-1) for supercapacitors and 744 mA h g(-1) for lithium ion batteries. The macroporous nature of graphene limits its volumetric energy density and the low packing density of graphene-based electrodes prevents its use in commercial applications. Increases in the capacity, energy density and power density of electroactive graphene materials are strongly dependent on their microstructural properties, such as the number of defects, stacking, the use of composite materials, conductivity, the specific surface area and the packing density. The structural design of graphene electrode materials is achieved via six main strategies: the design of non-stacking and three-dimensional graphene; the synthesis of highly packed graphene; the production of graphene with a high specific surface area and high conductivity; the control of defects; functionalization with O, N, B or P heteroatoms; and the formation of graphene composites. These methodologies of structural design are needed for fast electrical charge storage/transfer and the transport of electrolyte ions (Li(+), H(+), K(+), Na(+)) in graphene electrodes. We critically review state-of-the-art progress in the optimization of the electrochemical performance of graphene-based electrode materials. The structure of graphene needs to be designed to develop novel electrochemical energy storage devices that approach the theoretical charge limit of graphene and to deliver electrical energy rapidly and efficiently.

Design of Supercapacitor Electrodes Using Molecular Dynamics Simulations

NASA Astrophysics Data System (ADS)

Bo, Zheng; Li, Changwen; Yang, Huachao; Ostrikov, Kostya; Yan, Jianhua; Cen, Kefa

2018-06-01

Electric double-layer capacitors (EDLCs) are advanced electrochemical devices for energy storage and have attracted strong interest due to their outstanding properties. Rational optimization of electrode-electrolyte interactions is of vital importance to enhance device performance for practical applications. Molecular dynamics (MD) simulations could provide theoretical guidelines for the optimal design of electrodes and the improvement of capacitive performances, e.g., energy density and power density. Here we discuss recent MD simulation studies on energy storage performance of electrode materials containing porous to nanostructures. The energy storage properties are related to the electrode structures, including electrode geometry and electrode modifications. Altering electrode geometry, i.e., pore size and surface topography, can influence EDL capacitance. We critically examine different types of electrode modifications, such as altering the arrangement of carbon atoms, doping heteroatoms and defects, which can change the quantum capacitance. The enhancement of power density can be achieved by the intensified ion dynamics and shortened ion pathway. Rational control of the electrode morphology helps improve the ion dynamics by decreasing the ion diffusion pathway. Tuning the surface properties (e.g., the affinity between the electrode and the ions) can affect the ion-packing phenomena. Our critical analysis helps enhance the energy and power densities of EDLCs by modulating the corresponding electrode structures and surface properties.[Figure not available: see fulltext.

Theoretical investigations on the structures and properties of CL-20/TNT cocrystal and its defective models by molecular dynamics simulation.

PubMed

Hang, Gui-Yun; Yu, Wen-Li; Wang, Tao; Wang, Jin-Tao

2018-06-09

"Perfect" and defective models of CL-20/TNT cocrystal explosive were established. Molecular dynamics methods were introduced to determine the structures and predict the comprehensive performances, including stabilities, sensitivity, energy density and mechanical properties, of the different models. The influences of crystal defects on the properties of these explosives were investigated and evaluated. The results show that, compared with the "perfect" model, the rigidity and toughness of defective models are decreased, while the ductility, tenacity and plastic properties are enhanced. The binding energies, interaction energy of the trigger bond, and the cohesive energy density of defective crystals declined, thus implying that stabilities are weakened, the explosive molecule is activated, trigger bond strength is diminished and safety is worsened. Detonation performance showed that, owing to the influence of crystal defects, the density is lessened, detonation pressure and detonation velocity are also declined, i.e., the power of defective explosive is decreased. In a word, the crystal defects may have a favorable effect on the mechanical properties, but have a disadvantageous influence on sensitivity, stability and energy density of CL-20/TNT cocrystal explosive. The results could provide theoretical guidance and practical instructions to estimate the properties of defective crystal models.

Communication: Density functional theory overcomes the failure of predicting intermolecular interaction energies

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

Podeszwa, Rafal; Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716; Szalewicz, Krzysztof

2012-04-28

Density-functional theory (DFT) revolutionized the ability of computational quantum mechanics to describe properties of matter and is by far the most often used method. However, all the standard variants of DFT fail to predict intermolecular interaction energies. In recent years, a number of ways to go around this problem has been proposed. We show that some of these approaches can reproduce interaction energies with median errors of only about 5% in the complete range of intermolecular configurations. Such errors are comparable to typical uncertainties of wave-function-based methods in practical applications. Thus, these DFT methods are expected to find broad applicationsmore » in modelling of condensed phases and of biomolecules.« less

Close-Spaced High Temperature Knudsen Flow.

DTIC Science & Technology

1986-07-15

work~was a study of discharge processes in Knudsen mode (collisionless), thermionic energy converters. Areas of research involve’mechanisms for reducing ...power densities. The mechanisms/we have chosen to study are: reduction of space-charge through a very close interelectrode gap (less than 10 microns...In order to operate at practical current densities, the effect of electron space charge must be reduced . This can be done through very close

Entropy and density of states from isoenergetic nonequilibrium processes

NASA Astrophysics Data System (ADS)

Adib, Artur B.

2005-05-01

Two identities in statistical mechanics involving entropy differences (or ratios of densities of states) at constant energy are derived. The first provides a nontrivial extension of the Jarzynski equality to the microcanonical ensemble [C. Jarzynski, Phys. Rev. Lett. 78, 2690 (1997)], which can be seen as a “fast-switching” version of the adiabatic switching method for computing entropies [M. Watanabe and W. P. Reinhardt, Phys. Rev. Lett. 65, 3301 (1990)]. The second is a thermodynamic integration formula analogous to a well-known expression for free energies, and follows after taking the quasistatic limit of the first. Both identities can be conveniently used in conjunction with a scaling relation (herein derived) that allows one to extrapolate measurements taken at a single energy to a wide range of energy values. Practical aspects of these identities in the context of numerical simulations are discussed.

Molecular adsorption on metal surfaces with van der Waals density functionals

NASA Astrophysics Data System (ADS)

Li, Guo; Tamblyn, Isaac; Cooper, Valentino R.; Gao, Hong-Jun; Neaton, Jeffrey B.

2012-03-01

The adsorption of 1,4-benzenediamine (BDA) on Au(111) and azobenzene on Ag(111) is investigated using density functional theory (DFT) with the nonlocal van der Waals density functional (vdW-DF) and the semilocal Perdew-Burke-Ernzerhof functional. For BDA on Au(111), the inclusion of London dispersion interactions not only dramatically enhances the molecule-substrate binding, resulting in adsorption energies consistent with experimental results, but also significantly alters the BDA binding geometry. For azobenzene on Ag(111), vdW-DFs produce superior adsorption energies compared to those obtained with other dispersion-corrected DFT approaches. These results provide evidence for the applicability of the vdW-DF approach and serve as practical benchmarks for the investigation of molecules adsorbed on noble-metal surfaces.

Biotechnology: Impact on sugarcane agriculture and industry

USDA-ARS?s Scientific Manuscript database

Of the nine key technology issues that affect the sustainability of the sugar- or bio-energy- cane industry, namely: land, fertility, water, variety, planting density, crop protection, cultural practices, harvesting and processing, and lately, information technology, growing the right varieties rema...

Ultrathin Coaxial Fiber Supercapacitors Achieving High Energy and Power Densities.

PubMed

Shen, Caiwei; Xie, Yingxi; Sanghadasa, Mohan; Tang, Yong; Lu, Longsheng; Lin, Liwei

2017-11-15

Fiber-based supercapacitors have attracted significant interests because of their potential applications in wearable electronics. Although much progress has been made in recent years, the energy and power densities, mechanical strength, and flexibility of such devices are still in need of improvement for practical applications. Here, we demonstrate an ultrathin microcoaxial fiber supercapacitor (μCFSC) with high energy and power densities (2.7 mW h/cm 3 and 13 W/cm 3 ), as well as excellent mechanical properties. The prototype with the smallest reported overall diameter (∼13 μm) is fabricated by successive coating of functional layers onto a single micro-carbon-fiber via a scalable process. Combining the simulation results via the electrochemical model, we attribute the high performance to the well-controlled thin coatings that make full use of the electrode materials and minimize the ion transport path between electrodes. Moreover, the μCFSC features high bending flexibility and large tensile strength (more than 1 GPa), which make it promising as a building block for various flexible energy storage applications.

Electromagnetic potentials basis for energy density and power flux

NASA Astrophysics Data System (ADS)

Puthoff, H. E.

2016-09-01

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

Microscopically based energy density functionals for nuclei using the density matrix expansion: Implementation and pre-optimization

NASA Astrophysics Data System (ADS)

Stoitsov, M.; Kortelainen, M.; Bogner, S. K.; Duguet, T.; Furnstahl, R. J.; Gebremariam, B.; Schunck, N.

2010-11-01

In a recent series of articles, Gebremariam, Bogner, and Duguet derived a microscopically based nuclear energy density functional by applying the density matrix expansion (DME) to the Hartree-Fock energy obtained from chiral effective field theory two- and three-nucleon interactions. Owing to the structure of the chiral interactions, each coupling in the DME functional is given as the sum of a coupling constant arising from zero-range contact interactions and a coupling function of the density arising from the finite-range pion exchanges. Because the contact contributions have essentially the same structure as those entering empirical Skyrme functionals, a microscopically guided Skyrme phenomenology has been suggested in which the contact terms in the DME functional are released for optimization to finite-density observables to capture short-range correlation energy contributions from beyond Hartree-Fock. The present article is the first attempt to assess the ability of the newly suggested DME functional, which has a much richer set of density dependencies than traditional Skyrme functionals, to generate sensible and stable results for nuclear applications. The results of the first proof-of-principle calculations are given, and numerous practical issues related to the implementation of the new functional in existing Skyrme codes are discussed. Using a restricted singular value decomposition optimization procedure, it is found that the new DME functional gives numerically stable results and exhibits a small but systematic reduction of our test χ2 function compared to standard Skyrme functionals, thus justifying its suitability for future global optimizations and large-scale calculations.

Reducing electrocoagulation harvesting costs for practical microalgal biodiesel production.

PubMed

Dassey, Adam J; Theegala, Chandra S

2014-01-01

Electrocoagulation has shown potential to be a primary microalgae harvesting technique for biodiesel production. However, methods to reduce energy and electrode costs are still necessary for practical application. Electrocoagulation tests were conducted on Nannochloris sp. and Dunaliella sp. using perforated aluminium and iron electrodes under various charge densities. Aluminium electrodes were shown to be more efficient than iron electrodes when harvesting both algal species. Despite the lower harvesting efficiency, however, the iron electrodes were more energy and cost efficient. Operational costs of less than $0.03/L oil were achieved when harvesting Nannochloris sp. with iron electrodes at 35% harvest efficiency, whereas aluminium electrodes cost $0.75/L oil with 42% harvesting efficiency. Increasing the harvesting efficiencies for both aluminium and iron electrodes also increased the overall cost per litre of oil, therefore lower harvesting efficiencies with lower energy inputs was recommended. Also, increasing the culturing salinity to 2 ppt sodium chloride for freshwater Nannochloris sp. was determined practical to improve the electrocoagulation energy efficiency despite a 25% reduction in cell growth.

A novel carbon electrode material for highly improved EDLC performance.

PubMed

Fang, Baizeng; Binder, Leo

2006-04-20

Porous materials, developed by grafting functional groups through chemical surface modification with a surfactant, represent an innovative concept in energy storage. This work reports, in detail, the first practical realization of a novel carbon electrode based on grafting of vinyltrimethoxysilane (vtmos) functional group for energy storage in electric double layer capacitor (EDLC). Surface modification with surfactant vtmos enhances the hydrophobisation of activated carbon and the affinity toward propylene carbonate (PC) solvent, which improves the wettability of activated carbon in the electrolyte solution based on PC solvent, resulting in not only a lower resistance to the transport of electrolyte ions within micropores of activated carbon but also more usable surface area for the formation of electric double layer, and accordingly, higher specific capacitance, energy density, and power capability available from the capacitor based on modified carbon. Especially, the effects from surface modification become superior at higher discharge rate, at which much better EDLC performance (i.e., much higher energy density and power capability) has been achieved by the modified carbon, suggesting that the modified carbon is a novel and very promising electrode material of EDLC for large current applications where both high energy density and power capability are required.

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

PubMed Central

Li, Wangda; Dolocan, Andrei; Oh, Pilgun; Celio, Hugo; Park, Suhyeon; Cho, Jaephil; Manthiram, Arumugam

2017-01-01

Undesired electrode–electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species. By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries. PMID:28443608

Stable electrolyte for high voltage electrochemical double-layer capacitors

DOE PAGES

Ruther, Rose E.; Sun, Che -Nan; Holliday, Adam; ...

2016-12-28

A simple electrolyte consisting of NaPF 6 salt in 1,2-dimethoxyethane (DME) can extend the voltage window of electric double-layer capacitors (EDLCs) to >3.5 V. DME does not passivate carbon electrodes at very negative potentials (near Na/Na +), extending the practical voltage window by about 1.0 V compared to standard, non-aqueous electrolytes based on acetonitrile. The voltage window is demonstrated in two- and three-electrode cells using a combination of electrochemical impedance spectroscopy (EIS), charge-discharge cycling, and measurements of leakage current. DME-based electrolytes cannot match the high conductivity of acetonitrile solutions, but they can satisfy applications that demand high energy density atmore » moderate power. The conductivity of NaPF 6 in DME is comparable to commercial lithium-ion battery electrolytes and superior to most ionic liquids. Lastly, factors that limit the voltage window and EDLC energy density are discussed, and strategies to further boost energy density are proposed.« less

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

NASA Astrophysics Data System (ADS)

Li, Wangda; Dolocan, Andrei; Oh, Pilgun; Celio, Hugo; Park, Suhyeon; Cho, Jaephil; Manthiram, Arumugam

2017-04-01

Undesired electrode-electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species. By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries.

Many-Body Perturbation Theory (MBPT) and Time-Dependent Density-Functional Theory (TD-DFT): MBPT Insights About What Is Missing In, and Corrections To, the TD-DFT Adiabatic Approximation.

PubMed

Casida, Mark E; Huix-Rotllant, Miquel

2016-01-01

In their famous paper, Kohn and Sham formulated a formally exact density-functional theory (DFT) for the ground-state energy and density of a system of N interacting electrons, albeit limited at the time by certain troubling representability questions. As no practical exact form of the exchange-correlation (xc) energy functional was known, the xc-functional had to be approximated, ideally by a local or semilocal functional. Nowadays, however, the realization that Nature is not always so nearsighted has driven us up Perdew's Jacob's ladder to find increasingly nonlocal density/wavefunction hybrid functionals. Time-dependent (TD-) DFT is a younger development which allows DFT concepts to be used to describe the temporal evolution of the density in the presence of a perturbing field. Linear response (LR) theory then allows spectra and other information about excited states to be extracted from TD-DFT. Once again the exact TD-DFT xc-functional must be approximated in practical calculations and this has historically been done using the TD-DFT adiabatic approximation (AA) which is to TD-DFT very similar to what the local density approximation (LDA) is to conventional ground-state DFT. Although some of the recent advances in TD-DFT focus on what can be done within the AA, others explore ways around the AA. After giving an overview of DFT, TD-DFT, and LR-TD-DFT, this chapter focuses on many-body corrections to LR-TD-DFT as one way to build hybrid density-functional/wavefunction methodology for incorporating aspects of nonlocality in time not present in the AA.

Mechanical Computing Redux: Limitations at the Nanoscale

NASA Astrophysics Data System (ADS)

Liu, Tsu-Jae King

2014-03-01

Technology solutions for overcoming the energy efficiency limits of nanoscale complementary metal oxide semiconductor (CMOS) technology ultimately will be needed in order to address the growing issue of integrated-circuit chip power density. Off-state leakage current sets a fundamental lower limit in energy per operation for any voltage-level-based digital logic implemented with transistors (CMOS and beyond), which leads to practical limits for device density (i.e. cost) and operating frequency (i.e. system performance). Mechanical switches have zero off-state leakag and hence can overcome this fundamental limit. Contact adhesive force sets a lower limit for the switching energy of a mechanical switch, however, and also directly impacts its performance. This paper will review recent progress toward the development of nano-electro-mechanical relay technology and discuss remaining challenges for realizing the promise of mechanical computing for ultra-low-power computing. Supported by the Center for Energy Efficient Electronics Science (NSF Award 0939514).

Organic semiconductor density of states controls the energy level alignment at electrode interfaces

PubMed Central

Oehzelt, Martin; Koch, Norbert; Heimel, Georg

2014-01-01

Minimizing charge carrier injection barriers and extraction losses at interfaces between organic semiconductors and metallic electrodes is critical for optimizing the performance of organic (opto-) electronic devices. Here, we implement a detailed electrostatic model, capable of reproducing the alignment between the electrode Fermi energy and the transport states in the organic semiconductor both qualitatively and quantitatively. Covering the full phenomenological range of interfacial energy level alignment regimes within a single, consistent framework and continuously connecting the limiting cases described by previously proposed models allows us to resolve conflicting views in the literature. Our results highlight the density of states in the organic semiconductor as a key factor. Its shape and, in particular, the energy distribution of electronic states tailing into the fundamental gap is found to determine both the minimum value of practically achievable injection barriers as well as their spatial profile, ranging from abrupt interface dipoles to extended band-bending regions. PMID:24938867

Recent progress in supercapacitors: from materials design to system construction.

PubMed

Wang, Yonggang; Xia, Yongyao

2013-10-04

Supercapacitors are currently attracting intensive attention because they can provide energy density by orders of magnitude higher than dielectric capacitors, greater power density, and longer cycling ability than batteries. The main challenge for supercapacitors is to develop them with high energy density that is close to that of a current rechargeable battery, while maintaining their inherent characteristics of high power and long cycling life. Consequently, much research has been devoted to enhance the performance of supercapacitors by either maximizing the specific capacitance and/or increasing the cell voltage. The latest advances in the exploration and development of new supercapacitor systems and related electrode materials are highlighted. Also, the prospects and challenges in practical application are analyzed, aiming to give deep insights into the material science and electrochemical fields. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Energy density and rate limitations in structural composite supercapacitors

NASA Astrophysics Data System (ADS)

Snyder, J. F.; Gienger, E.; Wetzel, E. D.; Xu, K.

2012-06-01

The weight and volume of conventional energy storage technologies greatly limits their performance in mobile platforms. Traditional research efforts target improvements in energy density to reduce device size and mass. Enabling a device to perform additional functions, such as bearing mechanical load, is an alternative approach as long as the total mass efficiency exceeds that of the individual materials it replaces. Our research focuses on structural composites that function as batteries and supercapacitors. These multifunctional devices could be used to replace conventional structural components, such as vehicle frame elements, to provide significant system-level weight reductions and extend mission times. Our approach is to design structural properties directly into the electrolyte and electrode materials. Solid polymer electrolyte materials bind the system and transfer load to the fibers while conducting ions between the electrodes. Carbon fiber electrodes provide a route towards optimizing both energy storage and load-bearing capabilities, and may also obviate the need for a separate current collector. The components are being integrated using scalable, cost-effective composite processing techniques that are amenable to complex part shapes. Practical considerations of energy density and rate behavior are described here as they relate to materials used. Our results highlight the viability as well as the challenges of this multifunctional approach towards energy storage.

Unraveling the Voltage-Fade Mechanism in High-Energy-Density Lithium-Ion Batteries: Origin of the Tetrahedral Cations for Spinel Conversion

DOE PAGES

Mohanty, Debasish; Li, Jianlin; Abraham, Daniel P.; ...

2014-09-30

Discovery of high-voltage layered lithium-and manganese-rich (LMR) composite oxide electrode has dramatically enhanced the energy density of current Li-ion energy storage systems. However, practical usage of these materials is currently not viable because of their inability to maintain a consistent voltage profile (voltage fading) during subsequent charge-discharge cycles. This report rationalizes the cause of this voltage fade by providing the evidence of layer to spinel-like (LSL) structural evolution pathways in the host Li 1.2Mn 0.55Ni 0.15Co 0.1O 2 LMR composite oxide. By employing neutron powder diffraction, and temperature dependent magnetic susceptibility, we show that LSL structural rearrangement in LMR oxidemore » occurs through a tetrahedral cation intermediate via: i) diffusion of lithium atoms from octahedral to tetrahedral sites of the lithium layer [(Li Lioct →Li Litet] which is followed by the dispersal of the lithium ions from the adjacent octahedral site of the metal layer to the tetrahedral sites of lithium layer [Li TM oct → Li Litet]; and ii) migration of Mn from the octahedral sites of the transition metal layer to the permanent octahedral site of lithium layer via tetrahedral site of lithium layer [Mn TMoct Mn Litet Mn Lioct)]. The findings opens the door to the potential routes to mitigate this atomic restructuring in the high-voltage LMR composite oxide cathodes by manipulating the composition/structure for practical use in high-energy-density lithium-ion batteries.« less

High-Energy/Power and Low-Temperature Cathode for Sodium-Ion Batteries: In Situ XRD Study and Superior Full-Cell Performance.

PubMed

Guo, Jin-Zhi; Wang, Peng-Fei; Wu, Xing-Long; Zhang, Xiao-Hua; Yan, Qingyu; Chen, Hong; Zhang, Jing-Ping; Guo, Yu-Guo

2017-09-01

Sodium-ion batteries (SIBs) are still confronted with several major challenges, including low energy and power densities, short-term cycle life, and poor low-temperature performance, which severely hinder their practical applications. Here, a high-voltage cathode composed of Na 3 V 2 (PO 4 ) 2 O 2 F nano-tetraprisms (NVPF-NTP) is proposed to enhance the energy density of SIBs. The prepared NVPF-NTP exhibits two high working plateaux at about 4.01 and 3.60 V versus the Na + /Na with a specific capacity of 127.8 mA h g -1 . The energy density of NVPF-NTP reaches up to 486 W h kg -1 , which is higher than the majority of other cathode materials previously reported for SIBs. Moreover, due to the low strain (≈2.56% volumetric variation) and superior Na transport kinetics in Na intercalation/extraction processes, as demonstrated by in situ X-ray diffraction, galvanostatic intermittent titration technique, and cyclic voltammetry at varied scan rates, the NVPF-NTP shows long-term cycle life, superior low-temperature performance, and outstanding high-rate capabilities. The comparison of Ragone plots further discloses that NVPF-NTP presents the best power performance among the state-of-the-art cathode materials for SIBs. More importantly, when coupled with an Sb-based anode, the fabricated sodium-ion full-cells also exhibit excellent rate and cycling performances, thus providing a preview of their practical application. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Metal-Air Batteries: (Latest citations from the Aerospace Database)

NASA Technical Reports Server (NTRS)

1997-01-01

The bibliography contains citations concerning applications of metal-air batteries. Topics include systems that possess different practical energy densities at specific powers. Coverage includes the operation of air electrodes at different densities and performance results. The systems are used in electric vehicles as a cost-effective method to achieve reliability and efficiency. Zinc-air batteries are covered more thoroughly in a separate bibliography. (Contains 50-250 citations and includes a subject term index and title list.)

Modeling and Numerical Simulation of Microwave Pulse Propagation in Air Breakdown Environment

NASA Technical Reports Server (NTRS)

Kuo, S. P.; Kim, J.

1991-01-01

Numerical simulation is used to investigate the extent of the electron density at a distant altitude location which can be generated by a high-power ground-transmitted microwave pulse. This is done by varying the power, width, shape, and carrier frequency of the pulse. The results show that once the breakdown threshold field is exceeded in the region below the desired altitude location, electron density starts to build up in that region through cascading breakdown. The generated plasma attenuates the pulse energy (tail erosion) and thus deteriorates the energy transmission to the destined altitude. The electron density saturates at a level limited by the pulse width and the tail erosion process. As the pulse continues to travel upward, though the breakdown threshold field of the background air decreases, the pulse energy (width) is reduced more severely by the tail erosion process. Thus, the electron density grows more quickly at the higher altitude, but saturates at a lower level. Consequently, the maximum electron density produced by a single pulse at 50 km altitude, for instance, is limited to a value below 10(exp 6) cm(exp -3). Three different approaches are examined to determine if the ionization at the destined location can be improved: a repetitive pulse approach, a focused pulse approach, and two intersecting beams. Only the intersecting beam approach is found to be practical for generating the desired density level.

Flexible solid-state supercapacitors based on carbon nanoparticles/MnO2 nanorods hybrid structure.

PubMed

Yuan, Longyan; Lu, Xi-Hong; Xiao, Xu; Zhai, Teng; Dai, Junjie; Zhang, Fengchao; Hu, Bin; Wang, Xue; Gong, Li; Chen, Jian; Hu, Chenguo; Tong, Yexiang; Zhou, Jun; Wang, Zhong Lin

2012-01-24

A highly flexible solid-state supercapacitor was fabricated through a simple flame synthesis method and electrochemical deposition process based on a carbon nanoparticles/MnO(2) nanorods hybrid structure using polyvinyl alcohol/H(3)PO(4) electrolyte. Carbon fabric is used as a current collector and electrode (mechanical support), leading to a simplified, highly flexible, and lightweight architecture. The device exhibited good electrochemical performance with an energy density of 4.8 Wh/kg at a power density of 14 kW/kg, and a demonstration of a practical device is also presented, highlighting the path for its enormous potential in energy management. © 2011 American Chemical Society

On real-space Density Functional Theory for non-orthogonal crystal systems: Kronecker product formulation of the kinetic energy operator

NASA Astrophysics Data System (ADS)

Sharma, Abhiraj; Suryanarayana, Phanish

2018-05-01

We present an accurate and efficient real-space Density Functional Theory (DFT) framework for the ab initio study of non-orthogonal crystal systems. Specifically, employing a local reformulation of the electrostatics, we develop a novel Kronecker product formulation of the real-space kinetic energy operator that significantly reduces the number of operations associated with the Laplacian-vector multiplication, the dominant cost in practical computations. In particular, we reduce the scaling with respect to finite-difference order from quadratic to linear, thereby significantly bridging the gap in computational cost between non-orthogonal and orthogonal systems. We verify the accuracy and efficiency of the proposed methodology through selected examples.

Excitation energies from range-separated time-dependent density and density matrix functional theory.

PubMed

Pernal, Katarzyna

2012-05-14

Time-dependent density functional theory (TD-DFT) in the adiabatic formulation exhibits known failures when applied to predicting excitation energies. One of them is the lack of the doubly excited configurations. On the other hand, the time-dependent theory based on a one-electron reduced density matrix functional (time-dependent density matrix functional theory, TD-DMFT) has proven accurate in determining single and double excitations of H(2) molecule if the exact functional is employed in the adiabatic approximation. We propose a new approach for computing excited state energies that relies on functionals of electron density and one-electron reduced density matrix, where the latter is applied in the long-range region of electron-electron interactions. A similar approach has been recently successfully employed in predicting ground state potential energy curves of diatomic molecules even in the dissociation limit, where static correlation effects are dominating. In the paper, a time-dependent functional theory based on the range-separation of electronic interaction operator is rigorously formulated. To turn the approach into a practical scheme the adiabatic approximation is proposed for the short- and long-range components of the coupling matrix present in the linear response equations. In the end, the problem of finding excitation energies is turned into an eigenproblem for a symmetric matrix. Assignment of obtained excitations is discussed and it is shown how to identify double excitations from the analysis of approximate transition density matrix elements. The proposed method used with the short-range local density approximation (srLDA) and the long-range Buijse-Baerends density matrix functional (lrBB) is applied to H(2) molecule (at equilibrium geometry and in the dissociation limit) and to Be atom. The method accounts for double excitations in the investigated systems but, unfortunately, the accuracy of some of them is poor. The quality of the other excitations is in general much better than that offered by TD-DFT-LDA or TD-DMFT-BB approximations if the range-separation parameter is properly chosen. The latter remains an open problem.

FDE-vdW: A van der Waals inclusive subsystem density-functional theory.

PubMed

Kevorkyants, Ruslan; Eshuis, Henk; Pavanello, Michele

2014-07-28

We present a formally exact van der Waals inclusive electronic structure theory, called FDE-vdW, based on the Frozen Density Embedding formulation of subsystem Density-Functional Theory. In subsystem DFT, the energy functional is composed of subsystem additive and non-additive terms. We show that an appropriate definition of the long-range correlation energy is given by the value of the non-additive correlation functional. This functional is evaluated using the fluctuation-dissipation theorem aided by a formally exact decomposition of the response functions into subsystem contributions. FDE-vdW is derived in detail and several approximate schemes are proposed, which lead to practical implementations of the method. We show that FDE-vdW is Casimir-Polder consistent, i.e., it reduces to the generalized Casimir-Polder formula for asymptotic inter-subsystems separations. Pilot calculations of binding energies of 13 weakly bound complexes singled out from the S22 set show a dramatic improvement upon semilocal subsystem DFT, provided that an appropriate exchange functional is employed. The convergence of FDE-vdW with basis set size is discussed, as well as its dependence on the choice of associated density functional approximant.

FDE-vdW: A van der Waals inclusive subsystem density-functional theory

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

Kevorkyants, Ruslan; Pavanello, Michele, E-mail: m.pavanello@rutgers.edu; Eshuis, Henk

2014-07-28

We present a formally exact van der Waals inclusive electronic structure theory, called FDE-vdW, based on the Frozen Density Embedding formulation of subsystem Density-Functional Theory. In subsystem DFT, the energy functional is composed of subsystem additive and non-additive terms. We show that an appropriate definition of the long-range correlation energy is given by the value of the non-additive correlation functional. This functional is evaluated using the fluctuation–dissipation theorem aided by a formally exact decomposition of the response functions into subsystem contributions. FDE-vdW is derived in detail and several approximate schemes are proposed, which lead to practical implementations of the method.more » We show that FDE-vdW is Casimir-Polder consistent, i.e., it reduces to the generalized Casimir-Polder formula for asymptotic inter-subsystems separations. Pilot calculations of binding energies of 13 weakly bound complexes singled out from the S22 set show a dramatic improvement upon semilocal subsystem DFT, provided that an appropriate exchange functional is employed. The convergence of FDE-vdW with basis set size is discussed, as well as its dependence on the choice of associated density functional approximant.« less

Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states

NASA Astrophysics Data System (ADS)

Alam, Md. Mehboob; Deur, Killian; Knecht, Stefan; Fromager, Emmanuel

2017-11-01

The extrapolation technique of Savin [J. Chem. Phys. 140, 18A509 (2014)], which was initially applied to range-separated ground-state-density-functional Hamiltonians, is adapted in this work to ghost-interaction-corrected (GIC) range-separated ensemble density-functional theory (eDFT) for excited states. While standard extrapolations rely on energies that decay as μ-2 in the large range-separation-parameter μ limit, we show analytically that (approximate) range-separated GIC ensemble energies converge more rapidly (as μ-3) towards their pure wavefunction theory values (μ → +∞ limit), thus requiring a different extrapolation correction. The purpose of such a correction is to further improve on the convergence and, consequently, to obtain more accurate excitation energies for a finite (and, in practice, relatively small) μ value. As a proof of concept, we apply the extrapolation method to He and small molecular systems (viz., H2, HeH+, and LiH), thus considering different types of excitations such as Rydberg, charge transfer, and double excitations. Potential energy profiles of the first three and four singlet Σ+ excitation energies in HeH+ and H2, respectively, are studied with a particular focus on avoided crossings for the latter. Finally, the extraction of individual state energies from the ensemble energy is discussed in the context of range-separated eDFT, as a perspective.

Innovation on Energy Power Technology (7)Development and Practical Application of Sodium-Sulfur Battery for Electric Energy Storage System

NASA Astrophysics Data System (ADS)

Rachi, Hideki

Sodium-Sulfur battery (NAS battery), which has more than 3 times of energy density compared with the conventional lead-acid battery and can be compactly established, has a great installation effects as a distributed energy storage system in the urban area which consumes big electric power. For the power company, NAS battery contributes to the load leveling, the supply capability up at the peak period, the efficient operation of the electric power equipment and the reduction of the capital expenditure. And for the customer, it is possible to enjoy the reduction of the electricity charges by utilizing nighttime electric power and the securing of a security. The contribution to the highly sophisticated information society where the higher electric power quality is desired, mainly office buildings and factories by the progress of IT, is very big. Tokyo Electric Power Company (TEPCO) developed the elementary technology of NAS battery from 1984 and ended the development of practical battery which has long-term durability and the safety and the performance verification of the megawatt scale. Finally TEPCO accomplished the practical application and commercialization of the stationary energy storage technology by NAS battery. In this paper, we introduces about conquered problems until practical application and commercialization.

Dual-Energy Computed Tomography in Cardiothoracic Vascular Imaging.

PubMed

De Santis, Domenico; Eid, Marwen; De Cecco, Carlo N; Jacobs, Brian E; Albrecht, Moritz H; Varga-Szemes, Akos; Tesche, Christian; Caruso, Damiano; Laghi, Andrea; Schoepf, Uwe Joseph

2018-07-01

Dual energy computed tomography is becoming increasingly widespread in clinical practice. It can expand on the traditional density-based data achievable with single energy computed tomography by adding novel applications to help reach a more accurate diagnosis. The implementation of this technology in cardiothoracic vascular imaging allows for improved image contrast, metal artifact reduction, generation of virtual unenhanced images, virtual calcium subtraction techniques, cardiac and pulmonary perfusion evaluation, and plaque characterization. The improved diagnostic performance afforded by dual energy computed tomography is not associated with an increased radiation dose. This review provides an overview of dual energy computed tomography cardiothoracic vascular applications. Copyright © 2018 Elsevier Inc. All rights reserved.

Toward practical all-solid-state lithium-ion batteries with high energy density and safety: Comparative study for electrodes fabricated by dry- and slurry-mixing processes

NASA Astrophysics Data System (ADS)

Nam, Young Jin; Oh, Dae Yang; Jung, Sung Hoo; Jung, Yoon Seok

2018-01-01

Owing to their potential for greater safety, higher energy density, and scalable fabrication, bulk-type all-solid-state lithium-ion batteries (ASLBs) employing deformable sulfide superionic conductors are considered highly promising for applications in battery electric vehicles. While fabrication of sheet-type electrodes is imperative from the practical point of view, reports on relevant research are scarce. This might be attributable to issues that complicate the slurry-based fabrication process and/or issues with ionic contacts and percolation. In this work, we systematically investigate the electrochemical performance of conventional dry-mixed electrodes and wet-slurry fabricated electrodes for ASLBs, by varying the different fractions of solid electrolytes and the mass loading. This information calls for a need to develop well-designed electrodes with better ionic contacts and to improve the ionic conductivity of solid electrolytes. As a scalable proof-of-concept to achieve better ionic contacts, a premixing process for active materials and solid electrolytes is demonstrated to significantly improve electrochemical performance. Pouch-type 80 × 60 mm2 all-solid-state LiNi0·6Co0·2Mn0·2O2/graphite full-cells fabricated by the slurry process show high cell-based energy density (184 W h kg-1 and 432 W h L-1). For the first time, their excellent safety is also demonstrated by simple tests (cutting with scissors and heating at 110 °C).

Direct growth of vanadium nitride nanosheets on carbon nanotube fibers as novel negative electrodes for high-energy-density wearable fiber-shaped asymmetric supercapacitors

NASA Astrophysics Data System (ADS)

Guo, Jiabin; Zhang, Qichong; Sun, Juan; Li, Chaowei; Zhao, Jingxin; Zhou, Zhenyu; He, Bing; Wang, Xiaona; Man, Ping; Li, Qiulong; Zhang, Jun; Xie, Liyan; Li, Mingxing; Yao, Yagang

2018-04-01

Significant efforts have been recently devoted to constructing high-performance fiber-shaped asymmetric supercapacitors. However, it is still a paramount challenge to develop high-energy-density fiber-shaped asymmetric supercapacitors for practical applications in portable and wearable electronics. This work reports a simple and efficient method to directly grow vanadium nitride nanosheets on carbon nanotube fibers as advanced negative electrodes with a high specific capacitance of 188 F/cm3 (564 mF/cm2). Taking advantage of their attractive structure, we successfully fabricated a fiber-shaped asymmetric supercapacitor device with a maximum operating voltage of 1.6 V by assembling the vanadium nitride/carbon nanotube fiber negative electrode with the Zinc-Nickel-Cobalt ternary oxides nanowire arrays positive electrode. Due to the excellent synergistic effects between positive and negative electrodes, a remarkable specific capacitance of 50 F/cm3 (150 mF/cm2) and an outstanding energy density of 17.78 mWh/cm3 (53.33 μWh/cm2) for our fiber-shaped asymmetric supercapacitor can be achieved. Furthermore, the as-assembled fiber-shaped asymmetric supercapacitor device has excellent mechanical flexibility in that 91% of the capacitance retained after bending 90° for 3000 times. Thus, this work exploits a pathway to construct high-energy-density fiber-shaped asymmetric supercapacitor for next-generation portable and wearable electronics.

Minimizing lighting power density in office rooms equipped with Anidolic Daylighting Systems

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

Linhart, Friedrich; Scartezzini, Jean-Louis

2010-04-15

Electric lighting is responsible for up to one third of an office building's electricity needs. Making daylight more available in office buildings can not only contribute to significant energy savings but also enhance the occupants' performance and wellbeing. Anidolic Daylighting Systems (ADS) are one type of very effective facade-integrated daylighting systems. All south-facing office rooms within the LESO solar experimental building in Lausanne (Switzerland) are equipped with a given type of ADS. A recent study has shown that these offices' occupants are highly satisfied with their lighting environment. The most energy-efficient south-facing offices have a lighting power density of lessmore » than 5W/m{sup 2}. The lighting situation within these ''best practice''-offices has been assessed using the lighting simulation software RELUX Vision. Because this lighting situation is very much appreciated by the occupants, it was used as a starting point for developing even more energy-efficient office lighting designs. Two new lighting designs, leading to lighting power densities of 3.9W/m{sup 2} and 3W/m{sup 2}, respectively, have been suggested and simulated with RELUX Vision. Simulation results have shown that the expected performances of these new systems are comparable to that of the current lighting installation within the ''best practice''-offices or even better. These simulation results have been confirmed during experiments on 20 human subjects in a test office room recently set up within the LESO building. This article gives engineers, architects and light planers valuable information and ideas on how to design energy-efficient and comfortable electric lighting systems in office rooms with abundant access to daylight. (author)« less

On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies

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

McKechnie, Scott; Booth, George H.; Cohen, Aron J.

The best practice in computational methods for determining vertical ionization energies (VIEs) is assessed, via reference to experimentally determined VIEs that are corroborated by highly accurate coupled-cluster calculations. These reference values are used to benchmark the performance of density-functional theory (DFT) and wave function methods: Hartree-Fock theory (HF), second-order Møller-Plesset perturbation theory (MP2) and Electron Propagator Theory (EPT). The core test set consists of 147 small molecules. An extended set of six larger molecules, from benzene to hexacene, is also considered to investigate the dependence of the results on molecule size. The closest agreement with experiment is found for ionizationmore » energies obtained from total energy diff calculations. In particular, DFT calculations using exchange-correlation functionals with either a large amount of exact exchange or long-range correction perform best. The results from these functionals are also the least sensitive to an increase in molecule size. In general, ionization energies calculated directly from the orbital energies of the neutral species are less accurate and more sensitive to an increase in molecule size. For the single-calculation approach, the EPT calculations are in closest agreement for both sets of molecules. For the orbital energies from DFT functionals, only those with long-range correction give quantitative agreement with dramatic failing for all other functionals considered. The results offer a practical hierarchy of approximations for the calculation of vertical ionization energies. In addition, the experimental and computational reference values can be used as a standardized set of benchmarks, against which other approximate methods can be compared.« less

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

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

Li, Wangda; Dolocan, Andrei; Oh, Pilgun

Undesired electrode–electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species.more » By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Finally, our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries.« less

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

DOE PAGES

Li, Wangda; Dolocan, Andrei; Oh, Pilgun; ...

2017-04-26

Undesired electrode–electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species.more » By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Finally, our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries.« less

Brillouin zone grid refinement for highly resolved ab initio THz optical properties of graphene

NASA Astrophysics Data System (ADS)

Warmbier, Robert; Quandt, Alexander

2018-07-01

Optical spectra of materials can in principle be calculated within numerical frameworks based on Density Functional Theory. The huge numerical effort involved in these methods severely constraints the accuracy achievable in practice. In the case of the THz spectrum of graphene the primary limitation lays in the density of the reciprocal space sampling. In this letter we have developed a non-uniform sampling using grid refinement to achieve a high local sampling density with only moderate numerical effort. The resulting THz electron energy loss spectrum shows a plasmon signal below 50 meV with a ω(q) ∝√{ q } dispersion relation.

Electrocatalytic upgrading of biomass pyrolysis oils to chemical and fuel

NASA Astrophysics Data System (ADS)

Lam, Chun Ho

The present project's aim is to liquefy biomass through fast pyrolysis and then upgrade the resulting "bio-oil" to renewable fuels and chemicals by intensifying its energy content using electricity. This choice reflects three points: (a) Liquid hydrocarbons are and will long be the most practical fuels and chemical feedstocks because of their energy density (both mass and volume basis), their stability and relative ease of handling, and the well-established infrastructure for their processing, distribution and use; (b) In the U.S., the total carbon content of annually harvestable, non-food biomass is significantly less than that in a year's petroleum usage, so retention of plant-captured carbon is a priority; and (c) Modern technologies for conversion of sunlight into usable energy forms---specifically, electrical power---are already an order of magnitude more efficient than plants are at storing solar energy in chemical form. Biomass fast pyrolysis (BFP) generates flammable gases, char, and "bio-oil", a viscous, corrosive, and highly oxygenated liquid consisting of large amounts of acetic acid and water together with hundreds of other organic compounds. With essentially the same energy density as biomass and a tendency to polymerize, this material cannot practically be stored or transported long distances. It must be upgraded by dehydration, deoxygenation, and hydrogenation to make it both chemically and energetically compatible with modern vehicles and fuels. Thus, this project seeks to develop low cost, general, scalable, robust electrocatalytic methods for reduction of bio-oil into fuels and chemicals.

Evaluation of a Low Energy, Low Density, Non-Ablative Fractional 1927 nm Wavelength Laser for Facial Skin Resurfacing.

PubMed

Brauer, Jeremy A; Alabdulrazzaq, Hamad; Bae, Yoon-Soo Cindy; Geronemus, Roy G

2015-11-01

We investigated the safety, tolerability and efficacy of a low energy low density, non-ablative fractional 1,927-nm laser in the treatment of facial photodamage, melasma, and post inflammatory hyperpigmentation. Prospective non-randomized trial. Single center, private practice with a dedicated research department. Subjects with clinically diagnosed facial photodamage, melasma, or post inflammatory hyperpigmentation. Subjects received four to six treatments at 14-day intervals (+/- 3 days) with a low energy low density non-ablative fractional 1,927-nm laser (Solta Hayward, CA) with an energy level of 5 mJ, and density coverage of either 5%, 7.5%, or 10%, with a total of up to 8 passes. Blinded assessment of clinical photos for overall improvement at one and three months post final treatment. Investigator improvement scores, and subject pain and satisfaction scores for overall improvement were recorded as well. We enrolled 23 subjects, average age 45.0 years (range, 25-64 years), 22 with Fitzpatrick Skin Types I-IV and 1 with Type VI, with facial photodamage, melasma, or post inflammatory hyperpigmentation. Approximately 55% of subjects reported marked to very significant improvement at one and three months post final treatment. Blinded assessment of photography of 20 subjects revealed an average of moderate improvement at one-month follow up and mild to moderate improvement at three months. Average subject pain score was 3.4/10 during treatment. Favorable outcomes were demonstrated using the low energy low density, non-ablative fractional 1,927-nm laser in facial resurfacing for photodamage, melasma, and post inflammatory hyperpigmentation. Results were maintained at the 3-month follow up, as demonstrated by investigator and subject assessments, as well as blinded evaluations by three independent dermatologists utilizing photographs obtained from a standardized facial imaging device.

Development of a Hampton University Program for Novel Breast Cancer Imaging and Therapy Research

DTIC Science & Technology

2015-06-01

student ( Nanda Karthik) involved…. Should be able to give you some text!]. Aim 2 Develop and test a practical method for application of a magnetic field ...a Department of Energy (DOE) nuclear physics research facility operated by Jefferson Science Associates LLC. Jefferson Lab resources for this...minimally affected by breast density because of the higher energy photons of 99mTc. In a recent study that included patients who had inconclusive

High density scintillating glass proton imaging detector

NASA Astrophysics Data System (ADS)

Wilkinson, C. J.; Goranson, K.; Turney, A.; Xie, Q.; Tillman, I. J.; Thune, Z. L.; Dong, A.; Pritchett, D.; McInally, W.; Potter, A.; Wang, D.; Akgun, U.

2017-03-01

In recent years, proton therapy has achieved remarkable precision in delivering doses to cancerous cells while avoiding healthy tissue. However, in order to utilize this high precision treatment, greater accuracy in patient positioning is needed. An accepted approximate uncertainty of +/-3% exists in the current practice of proton therapy due to conversions between x-ray and proton stopping power. The use of protons in imaging would eliminate this source of error and lessen the radiation exposure of the patient. To this end, this study focuses on developing a novel proton-imaging detector built with high-density glass scintillator. The model described herein contains a compact homogeneous proton calorimeter composed of scintillating, high density glass as the active medium. The unique geometry of this detector allows for the measurement of both the position and residual energy of protons, eliminating the need for a separate set of position trackers in the system. Average position and energy of a pencil beam of 106 protons is used to reconstruct the image rather than by analyzing individual proton data. Simplicity and efficiency were major objectives in this model in order to present an imaging technique that is compact, cost-effective, and precise, as well as practical for a clinical setting with pencil-beam scanning proton therapy equipment. In this work, the development of novel high-density glass scintillator and the unique conceptual design of the imager are discussed; a proof-of-principle Monte Carlo simulation study is performed; preliminary two-dimensional images reconstructed from the Geant4 simulation are presented.

The energy dependence of the lateral dose response functions of detectors with various densities in photon-beam dosimetry.

PubMed

Looe, Hui Khee; Harder, Dietrich; Poppe, Björn

2017-02-07

The lateral dose response function is a general characteristic of the volume effect of a detector used for photon dosimetry in a water phantom. It serves as the convolution kernel transforming the true absorbed dose to water profile, which would be produced within the undisturbed water phantom, into the detector-measured signal profile. The shape of the lateral dose response function characterizes (i) the volume averaging attributable to the detector's size and (ii) the disturbance of the secondary electron field associated with the deviation of the electron density of the detector material from the surrounding water. In previous work, the characteristic dependence of the shape of the lateral dose response function upon the electron density of the detector material was studied for 6 MV photons by Monte Carlo simulation of a wall-less voxel-sized detector (Looe et al 2015 Phys. Med. Biol. 60 6585-07). This study is here continued for 60 Co gamma rays and 15 MV photons in comparison with 6 MV photons. It is found (1) that throughout these photon spectra the shapes of the lateral dose response functions are retaining their characteristic dependence on the detector's electron density, and (2) that their energy-dependent changes are only moderate. This appears as a practical advantage because the lateral dose response function can then be treated as practically invariant across a clinical photon beam in spite of the known changes of the photon spectrum with increasing distance from the beam axis.

Experimental and theoretical investigation for the suppression of the plasma arc drop in the thermionic converter

NASA Technical Reports Server (NTRS)

Shaw, D. T.; Manikopoulos, C. N.; Chang, T.; Lee, C. H.; Chiu, N.

1977-01-01

Ion generation and recombination mechanisms in the cesium plasma as they pertain to the advanced mode thermionic energy converter were studied. The decay of highly ionized cesium plasma was studied in the near afterglow to examine the recombination processes. Very low recombination in such a plasma may prove to be of considerable importance in practical converters. The approaches of external cesium generation were vibrationally excited nitrogen as an energy source of ionization of cesium ion, and microwave power as a means of resonant sustenance of the cesium plasma. Experimental data obtained so far show that all three techniques - i.e., the non-LTE high-voltage pulsing, the energy transfer from vibrationally excited diatomic gases, and the external pumping with a microwave resonant cavity - can produce plasmas with their densities significantly higher than the Richardson density. The implication of these findings as related to Lam's theory is discussed.

Absorption of solar radiation by alkali vapors. [for efficient high temperature energy converters

NASA Technical Reports Server (NTRS)

Mattick, A. T.

1978-01-01

A theoretical study of the direct absorption of solar radiation by the working fluid of high temperature, high efficiency energy converters has been carried out. Alkali vapors and potassium vapor in particular were found to be very effective solar absorbers and suitable thermodynamically for practical high temperature cycles. Energy loss via reradiation from a solar boiler was shown to reduce the overall efficiency of radiation-heated energy converters, although a simple model of radiation transfer in a potassium vapor solar boiler revealed that self-trapping of the reradiation may reduce this loss considerably. A study was also made of the requirements for a radiation boiler window. It was found that for sapphire, one of the best solar transmitting materials, the severe environment in conjunction with high radiation densities will require some form of window protection. An aerodynamic shield is particularly advantageous in this capacity, separating the window from the absorbing vapor to prevent condensation and window corrosion and to reduce the radiation density at the window.

Chemical-to-Electricity Carbon: Water Device.

PubMed

He, Sisi; Zhang, Yueyu; Qiu, Longbin; Zhang, Longsheng; Xie, Yun; Pan, Jian; Chen, Peining; Wang, Bingjie; Xu, Xiaojie; Hu, Yajie; Dinh, Cao Thang; De Luna, Phil; Banis, Mohammad Norouzi; Wang, Zhiqiang; Sham, Tsun-Kong; Gong, Xingao; Zhang, Bo; Peng, Huisheng; Sargent, Edward H

2018-05-01

The ability to release, as electrical energy, potential energy stored at the water:carbon interface is attractive, since water is abundant and available. However, many previous reports of such energy converters rely on either flowing water or specially designed ionic aqueous solutions. These requirements restrict practical application, particularly in environments with quiescent water. Here, a carbon-based chemical-to-electricity device that transfers the chemical energy to electrical form when coming into contact with quiescent deionized water is reported. The device is built using carbon nanotube yarns, oxygen content of which is modulated using oxygen plasma-treatment. When immersed in water, the device discharges electricity with a power density that exceeds 700 mW m -2 , one order of magnitude higher than the best previously published result. X-ray absorption and density functional theory studies support a mechanism of operation that relies on the polarization of sp 2 hybridized carbon atoms. The devices are incorporated into a flexible fabric for powering personal electronic devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Topological energy storage of work generated by nanomotors.

PubMed

Weysser, Fabian; Benzerara, Olivier; Johner, Albert; Kulić, Igor M

2015-01-28

Most macroscopic machines rely on wheels and gears. Yet, rigid gears are entirely impractical on the nano-scale. Here we propose a more useful method to couple any rotary engine to any other mechanical elements on the nano- and micro-scale. We argue that a rotary molecular motor attached to an entangled polymer energy storage unit, which together form what we call the "tanglotron" device, is a viable concept that can be experimentally implemented. We derive the torque-entanglement relationship for a tanglotron (its "equation of state") and show that it can be understood by simple statistical mechanics arguments. We find that a typical entanglement at low packing density costs around 6kT. In the high entanglement regime, the free energy diverges logarithmically close to a maximal geometric packing density. We outline several promising applications of the tanglotron idea and conclude that the transmission, storage and back-conversion of topological entanglement energy are not only physically feasible but also practical for a number of reasons.

Mechanically stable ternary heterogeneous electrodes for energy storage and conversion.

PubMed

Gao, Libo; Zhang, Hongti; Surjadi, James Utama; Li, Peifeng; Han, Ying; Sun, Dong; Lu, Yang

2018-02-01

Recently, solid asymmetric supercapacitor (ASC) has been deemed as an emerging portable power storage or backup device for harvesting natural resources. Here we rationally engineered a hierarchical, mechanically stable heterostructured FeCo@NiCo layered double hydroxide (LDH) with superior capacitive performance by a simple two-step electrodeposition route for energy storage and conversion. In situ scanning electron microscope (SEM) nanoindentation and electrochemical tests demonstrated the mechanical robustness and good conductivity of FeCo-LDH. This serves as a reliable backbone for supporting the NiCo-LDH nanosheets. When employed as the positive electrode in the solid ASC, the assembly presents high energy density of 36.6 W h kg -1 at a corresponding power density of 783 W kg -1 and durable cycling stability (87.3% after 5000 cycles) as well as robust mechanical stability without obvious capacitance fading when subjected to bending deformation. To demonstrate its promising capability for practical energy storage applications, the ASC has been employed as a portable energy source to power a commercially available digital watch, mini motor car, or household lamp bulb as well as an energy storage reservoir, coupled with a wind energy harvester to power patterned light-emitting diodes (LEDs).

Design optimization of PVDF-based piezoelectric energy harvesters.

PubMed

Song, Jundong; Zhao, Guanxing; Li, Bo; Wang, Jin

2017-09-01

Energy harvesting is a promising technology that powers the electronic devices via scavenging the ambient energy. Piezoelectric energy harvesters have attracted considerable interest for their high conversion efficiency and easy fabrication in minimized sensors and transducers. To improve the output capability of energy harvesters, properties of piezoelectric materials is an influential factor, but the potential of the material is less likely to be fully exploited without an optimized configuration. In this paper, an optimization strategy for PVDF-based cantilever-type energy harvesters is proposed to achieve the highest output power density with the given frequency and acceleration of the vibration source. It is shown that the maximum power output density only depends on the maximum allowable stress of the beam and the working frequency of the device, and these two factors can be obtained by adjusting the geometry of piezoelectric layers. The strategy is validated by coupled finite-element-circuit simulation and a practical device. The fabricated device within a volume of 13.1 mm 3 shows an output power of 112.8 μW which is comparable to that of the best-performing piezoceramic-based energy harvesters within the similar volume reported so far.

Capacity Decay Mitigation by Asymmetric Positive/Negative Electrolyte Volumes in Vanadium Redox Flow Batteries.

PubMed

Park, Jong Ho; Park, Jung Jin; Park, O Ok; Yang, Jung Hoon

2016-11-23

Capacity decay in vanadium redox flow batteries during charge-discharge cycling has become an important issue because it lowers the practical energy density of the battery. The battery capacity tends to drop rapidly within the first tens of cycles and then drops more gradually over subsequent cycles during long-term operation. This paper analyzes and discusses the reasons for this early capacity decay. The imbalanced crossover rate of vanadium species was found to remain high until the total difference in vanadium concentration between the positive and negative electrolytes reached almost 1 mol dm -3 . To minimize the initial crossover imbalance, we introduced an asymmetric volume ratio between the positive and negative electrolytes during cell operation. Changing this ratio significantly reduced the capacity fading rate of the battery during the early cycles and improved its capacity retention at steady state. As an example, the practical energy density of the battery increased from 15.5 to 25.2 Wh L -1 simply after reduction of the positive volume by 25 %. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A binder-free sulfur/reduced graphene oxide aerogel as high performance electrode materials for lithium sulfur batteries

PubMed Central

Nitze, Florian; Agostini, Marco; Lundin, Filippa; Palmqvist, Anders E. C.; Matic, Aleksandar

2016-01-01

Societies’ increasing need for energy storage makes it necessary to explore new concepts beyond the traditional lithium ion battery. A promising candidate is the lithium-sulfur technology with the potential to increase the energy density of the battery by a factor of 3–5. However, so far the many problems with the lithium-sulfur system have not been solved satisfactory. Here we report on a new approach utilizing a self-standing reduced graphene oxide based aerogel directly as electrodes, i.e. without further processing and without the addition of binder or conducting agents. We can thereby disrupt the common paradigm of “no battery without binder” and can pave the way to a lithium-sulfur battery with a high practical energy density. The aerogels are synthesized via a one-pot method and consist of more than 2/3 sulfur, contained inside a porous few-layered reduced graphene oxide matrix. By combining the graphene-based aerogel cathode with an electrolyte and a lithium metal anode, we demonstrate a lithium-sulfur cell with high areal capacity (more than 3 mAh/cm2 after 75 cycles), excellent capacity retention over 200 cycles and good sulfur utilization. Based on this performance we estimate that the energy density of this concept-cell can significantly exceed the Department of Energy (DEO) 2020-target set for transport applications. PMID:28008981

A binder-free sulfur/reduced graphene oxide aerogel as high performance electrode materials for lithium sulfur batteries.

PubMed

Nitze, Florian; Agostini, Marco; Lundin, Filippa; Palmqvist, Anders E C; Matic, Aleksandar

2016-12-23

Societies' increasing need for energy storage makes it necessary to explore new concepts beyond the traditional lithium ion battery. A promising candidate is the lithium-sulfur technology with the potential to increase the energy density of the battery by a factor of 3-5. However, so far the many problems with the lithium-sulfur system have not been solved satisfactory. Here we report on a new approach utilizing a self-standing reduced graphene oxide based aerogel directly as electrodes, i.e. without further processing and without the addition of binder or conducting agents. We can thereby disrupt the common paradigm of "no battery without binder" and can pave the way to a lithium-sulfur battery with a high practical energy density. The aerogels are synthesized via a one-pot method and consist of more than 2/3 sulfur, contained inside a porous few-layered reduced graphene oxide matrix. By combining the graphene-based aerogel cathode with an electrolyte and a lithium metal anode, we demonstrate a lithium-sulfur cell with high areal capacity (more than 3 mAh/cm 2 after 75 cycles), excellent capacity retention over 200 cycles and good sulfur utilization. Based on this performance we estimate that the energy density of this concept-cell can significantly exceed the Department of Energy (DEO) 2020-target set for transport applications.

A binder-free sulfur/reduced graphene oxide aerogel as high performance electrode materials for lithium sulfur batteries

NASA Astrophysics Data System (ADS)

Nitze, Florian; Agostini, Marco; Lundin, Filippa; Palmqvist, Anders E. C.; Matic, Aleksandar

2016-12-01

Societies’ increasing need for energy storage makes it necessary to explore new concepts beyond the traditional lithium ion battery. A promising candidate is the lithium-sulfur technology with the potential to increase the energy density of the battery by a factor of 3-5. However, so far the many problems with the lithium-sulfur system have not been solved satisfactory. Here we report on a new approach utilizing a self-standing reduced graphene oxide based aerogel directly as electrodes, i.e. without further processing and without the addition of binder or conducting agents. We can thereby disrupt the common paradigm of “no battery without binder” and can pave the way to a lithium-sulfur battery with a high practical energy density. The aerogels are synthesized via a one-pot method and consist of more than 2/3 sulfur, contained inside a porous few-layered reduced graphene oxide matrix. By combining the graphene-based aerogel cathode with an electrolyte and a lithium metal anode, we demonstrate a lithium-sulfur cell with high areal capacity (more than 3 mAh/cm2 after 75 cycles), excellent capacity retention over 200 cycles and good sulfur utilization. Based on this performance we estimate that the energy density of this concept-cell can significantly exceed the Department of Energy (DEO) 2020-target set for transport applications.

Hydrothermally formed three-dimensional nanoporous Ni(OH)2 thin-film supercapacitors.

PubMed

Yang, Yang; Li, Lei; Ruan, Gedeng; Fei, Huilong; Xiang, Changsheng; Fan, Xiujun; Tour, James M

2014-09-23

A three-dimensional nanoporous Ni(OH)2 thin-film was hydrothermally converted from an anodically formed porous layer of nickel fluoride/oxide. The nanoporous Ni(OH)2 thin-films can be used as additive-free electrodes for energy storage. The nanoporous layer delivers a high capacitance of 1765 F g(-1) under three electrode testing. After assembly with porous activated carbon in asymmetric supercapacitor configurations, the devices deliver superior supercapacitive performances with capacitance of 192 F g(-1), energy density of 68 Wh kg(-1), and power density of 44 kW kg(-1). The wide working potential window (up to 1.6 V in 6 M aq KOH) and stable cyclability (∼90% capacitance retention over 10,000 cycles) make the thin-film ideal for practical supercapacitor devices.

Supercapacitors specialities - Materials review

NASA Astrophysics Data System (ADS)

Obreja, Vasile V. N.

2014-06-01

The electrode material is a key component for supercapacitor cell performance. As it is known, performance comparison of commercial available batteries and supercapacitors reveals significantly lower energy storage capability for supercapacitor devices. The energy density of commercial supercapacitor cells is limited to 10 Wh/kg whereas that of common lead acid batteries reaches 35-40 Wh/kg. For lithium ion batteries a value higher than 100 Wh/kg is easily available. Nevertheless, supercapacitors also known as ultracapacitors or electrochemical capacitors have other advantages in comparison with batteries. As a consequence, many efforts have been made in the last years to increase the storage energy density of electrochemical capacitors. A lot of results from published work (research and review papers, patents and reports) are available at this time. The purpose of this review is a presentation of the progress to date for the use of new materials and approaches for supercapacitor electrodes, with focus on the energy storage capability for practical applications. Many reported results refer to nanostructured carbon based materials and the related composites, used for the manufacture of experimental electrodes. A specific capacitance and a specific energy are seldom revealed as the main result of the performed investigation. Thus for nanoprous (activated) carbon based electrodes a specific capacitance up to 200-220 F/g is mentioned for organic electrolyte, whereas for aqueous electrolyte, the value is limited to 400-500 F/g. Significant contribution to specific capacitance is possible from fast faradaic reactions at the electrode-electrolyte interface in addition to the electric double layer effect. The corresponding energy density is limited to 30-50 Wh/kg for organic electrolyte and to 12-17 Wh/kg for aqueous electrolyte. However such performance indicators are given only for the carbon material used in electrodes. For a supercapacitor cell, where two electrodes and also other materials for cell assembling and packaging are used, the above mentioned values have to be divided by a factor higher than four. As a consequence, the specific energy of a prototype cell, hardly could exceed 10 Wh/kg because of difficulties with the existing manufacturing technology. Graphene based materials and carbon nanotubes and different composites have been used in many experiments reported in the last years. Nevertheless in spite of the outstanding properties of these materials, significant increase of the specific capacitance or of the specific energy in comparison with activated or nanoporous carbon is not achieved. Use of redox materials as metal oxides or conducting polymers in combination with different nanostructured carbon materials (nanocomposite electrodes) has been found to contribute to further increase of the specific capacitance or of the specific energy. Nevertheless, few results are reported for practical cells with such materials. Many results are reported only for a three electrode system and significant difference is possible when the electrode is used in a practical supercapacitor cell. Further improvement in the electrode manufacture and more experiments with supercapacitor cells with the known electrochemical storage materials are required. Device prototypes and commercial products with an energy density towards 15-20 Wh/kg could be realized. These may be a milestone for further supercapacitor device research and development, to narrow the storage energy gap between batteries and supercapacitors.

Using bone densitometry to monitor therapy in treating osteoporosis: pros and cons.

PubMed

Deal, C L

2001-06-01

Measurement of bone density is crucial for evaluating fracture risk. Low bone mass is a powerful predictor of fracture and is necessary to assess the need for treatment. Dual energy x-ray absorptiometry is accurate and precise. Use of bone density for monitoring therapy is an important tool for evaluating response to therapy, but an understanding of the limitations of the procedure are important for the practicing physician. Precision error of the technology and what change in density is clinically significant (least significant change) are important concepts to interpret results and make appropriate treatment decisions. This article reviews the use of bone densitometry as a tool for monitoring treatment in patients with low bone mass.

The total energy-momentum tensor for electromagnetic fields in a dielectric

NASA Astrophysics Data System (ADS)

Crenshaw, Michael E.

2017-08-01

Radiation pressure is an observable consequence of optically induced forces on materials. On cosmic scales, radiation pressure is responsible for the bending of the tails of comets as they pass near the sun. At a much smaller scale, optically induced forces are being investigated as part of a toolkit for micromanipulation and nanofabrication technology [1]. A number of practical applications of the mechanical effects of light-matter interaction are discussed by Qiu, et al. [2]. The promise of the nascent nanophotonic technology for manufacturing small, low-power, high-sensitivity sensors and other devices has likely motivated the substantial current interest in optical manipulation of materials at the nanoscale, see, for example, Ref. [2] and the references therein. While substantial progress toward optical micromanipulation has been achieved, e.g. optical tweezers [1], in this report we limit our consideration to the particular issue of optically induced forces on a transparent dielectric material. As a matter of electromagnetic theory, these forces remain indeterminate and controversial. Due to the potential applications in nanotechnology, the century-old debate regarding these forces, and the associated momentums, has ramped up considerably in the physics community. The energy-momentum tensor is the centerpiece of conservation laws for the unimpeded, inviscid, incompressible flow of non-interacting particles in the continuum limit in an otherwise empty volume. The foundations of the energy-momentum tensor and the associated tensor conservation theory come to electrodynamics from classical continuum dynamics by applying the divergence theorem to a Taylor series expansion of a property density field of a continuous flow in an otherwise empty volume. The dust tensor is a particularly simple example of an energy-momentum tensor that deals with particles of matter in the continuum limit in terms of the mass density ρm, energy density ρmc 2 , and momentum density ρmv. Newtonian fluids can behave very much like dust with the same energy-momentum tensor. The energy and momentum conservation properties of light propagating in the vacuum were long-ago cast in the energy-momentum tensor formalism in terms of the electromagnetic energy density and electromagnetic momentum density. However, extrapolating the tensor theory of energy-momentum conservation for propagation of light in the vacuum to propagation of light in a simple linear dielectric medium has proven to be problematic and controversial. A dielectric medium is not "otherwise empty" and it is typically assumed that optically induced forces accelerate and decelerate nanoscopic material constituents of the dielectric. The corresponding material energy-momentum tensor is added to the electromagnetic energy-momentum tensor to form the total energy-momentum tensor, thereby ensuring that the total energy and the total momentum of the thermodynamically closed system remain constant in time.

A thermally regenerative ammonia battery with carbon-silver electrodes for converting low-grade waste heat to electricity

NASA Astrophysics Data System (ADS)

Rahimi, Mohammad; Kim, Taeyoung; Gorski, Christopher A.; Logan, Bruce E.

2018-01-01

Thermally regenerative ammonia batteries (TRABs) have shown great promise as a method to convert low-grade waste heat into electrical power, with power densities an order of magnitude higher than other approaches. However, previous TRABs based on copper electrodes suffered from unbalanced anode dissolution and cathode deposition rates during discharging cycles, limiting practical applications. To produce a TRAB with stable and reversible electrode reactions over many cycles, inert carbon electrodes were used with silver salts. In continuous flow tests, power production was stable over 100 discharging cycles, demonstrating excellent reversibility. Power densities were 23 W m-2-electrode area in batch tests, which was 64% higher than that produced in parallel tests using copper electrodes, and 30 W m-2 (net energy density of 490 Wh m-3-anolyte) in continuous flow tests. While this battery requires the use a precious metal, an initial economic analysis of the system showed that the cost of the materials relative to energy production was 220 per MWh, which is competitive with energy production from other non-fossil fuel sources. A substantial reduction in costs could be obtained by developing less expensive anion exchange membranes.

High Energy Density and High Temperature Multilayer Capacitor Films for Electric Vehicle Applications

NASA Astrophysics Data System (ADS)

Treufeld, Imre; Song, Michelle; Zhu, Lei; Baer, Eric; Snyder, Joe; Langhe, Deepak

2015-03-01

Multilayer films (MLFs) with high energy density and high temperature capability (>120 °C) have been developed at Case Western Reserve University. Such films offer a potential solution for electric car DC-link capacitors, where high ripple currents and high temperature tolerance are required. The current state-of-the-art capacitors used in electric cars for converting DC to AC use biaxially oriented polypropylene (BOPP), which can only operate at temperatures up to 85 °C requiring an external cooling system. The polycarbonate (PC)/poly(vinylidene fluoride) (PVDF) MLFs have a higher permittivity compared to that of BOPP (2.3), leading to higher energy density. They have good mechanical stability and reasonably low dielectric losses at 120 °C. Nonetheless, our preliminary dielectric measurements show that the MLFs exhibit appreciable dielectric losses (20%) at 120 °C, which would, despite all the other advantages, make them not suitable for practical applications. Our preliminary data showed that dielectric losses of the MLFs at 120 °C up to 400 MV/m and 1000 Hz originate mostly from impurity ionic conduction. This work is supported by the NSF PFI/BIC Program (IIP-1237708).

Li- and Mn-Rich Cathode Materials: Challenges to Commercialization

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

Zheng, Jianming; Myeong, Seungjun; Cho, Woongrae

2016-12-14

The lithium- and manganese-rich (LMR) layered structure cathode exhibit one of the highest specific energy (~900 Wh kg-1) among all the cathode materials. However, the practical applications of LMR cathodes are still hindered by several significant challenges including voltage fade, large initial capacity loss, poor rate capability and limited cycle life. Herein, we review the recent progresses and understandings on the application of LMR cathode materials from practical point of view. Several key parameters of LMR cathodes that affect the LMR/graphite full cell operation are systematically analysed. These factors include the first cycle capacity loss, voltage fade, powder tap density,more » electrode density of LMR based cathode etc. New approaches to minimize the detrimental effect of these factors are highlighted in this work. We also provided the perspectives for the future research on LMR cathode materials, focusing on addressing the fundamental problems of LMR cathodes while always keeping practical considerations in mind.« less

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

Jacobson, Paul T; Hagerman, George; Scott, George

This project estimates the naturally available and technically recoverable U.S. wave energy resources, using a 51-month Wavewatch III hindcast database developed especially for this study by National Oceanographic and Atmospheric Administration's (NOAA's) National Centers for Environmental Prediction. For total resource estimation, wave power density in terms of kilowatts per meter is aggregated across a unit diameter circle. This approach is fully consistent with accepted global practice and includes the resource made available by the lateral transfer of wave energy along wave crests, which enables wave diffraction to substantially reestablish wave power densities within a few kilometers of a linear array,more » even for fixed terminator devices. The total available wave energy resource along the U.S. continental shelf edge, based on accumulating unit circle wave power densities, is estimated to be 2,640 TWh/yr, broken down as follows: 590 TWh/yr for the West Coast, 240 TWh/yr for the East Coast, 80 TWh/yr for the Gulf of Mexico, 1570 TWh/yr for Alaska, 130 TWh/yr for Hawaii, and 30 TWh/yr for Puerto Rico. The total recoverable wave energy resource, as constrained by an array capacity packing density of 15 megawatts per kilometer of coastline, with a 100-fold operating range between threshold and maximum operating conditions in terms of input wave power density available to such arrays, yields a total recoverable resource along the U.S. continental shelf edge of 1,170 TWh/yr, broken down as follows: 250 TWh/yr for the West Coast, 160 TWh/yr for the East Coast, 60 TWh/yr for the Gulf of Mexico, 620 TWh/yr for Alaska, 80 TWh/yr for Hawaii, and 20 TWh/yr for Puerto Rico.« less

Supercapacitors specialities - Materials review

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

Obreja, Vasile V. N.

The electrode material is a key component for supercapacitor cell performance. As it is known, performance comparison of commercial available batteries and supercapacitors reveals significantly lower energy storage capability for supercapacitor devices. The energy density of commercial supercapacitor cells is limited to 10 Wh/kg whereas that of common lead acid batteries reaches 35-40 Wh/kg. For lithium ion batteries a value higher than 100 Wh/kg is easily available. Nevertheless, supercapacitors also known as ultracapacitors or electrochemical capacitors have other advantages in comparison with batteries. As a consequence, many efforts have been made in the last years to increase the storage energymore » density of electrochemical capacitors. A lot of results from published work (research and review papers, patents and reports) are available at this time. The purpose of this review is a presentation of the progress to date for the use of new materials and approaches for supercapacitor electrodes, with focus on the energy storage capability for practical applications. Many reported results refer to nanostructured carbon based materials and the related composites, used for the manufacture of experimental electrodes. A specific capacitance and a specific energy are seldom revealed as the main result of the performed investigation. Thus for nanoprous (activated) carbon based electrodes a specific capacitance up to 200-220 F/g is mentioned for organic electrolyte, whereas for aqueous electrolyte, the value is limited to 400-500 F/g. Significant contribution to specific capacitance is possible from fast faradaic reactions at the electrode-electrolyte interface in addition to the electric double layer effect. The corresponding energy density is limited to 30-50 Wh/kg for organic electrolyte and to 12-17 Wh/kg for aqueous electrolyte. However such performance indicators are given only for the carbon material used in electrodes. For a supercapacitor cell, where two electrodes and also other materials for cell assembling and packaging are used, the above mentioned values have to be divided by a factor higher than four. As a consequence, the specific energy of a prototype cell, hardly could exceed 10 Wh/kg because of difficulties with the existing manufacturing technology. Graphene based materials and carbon nanotubes and different composites have been used in many experiments reported in the last years. Nevertheless in spite of the outstanding properties of these materials, significant increase of the specific capacitance or of the specific energy in comparison with activated or nanoporous carbon is not achieved. Use of redox materials as metal oxides or conducting polymers in combination with different nanostructured carbon materials (nanocomposite electrodes) has been found to contribute to further increase of the specific capacitance or of the specific energy. Nevertheless, few results are reported for practical cells with such materials. Many results are reported only for a three electrode system and significant difference is possible when the electrode is used in a practical supercapacitor cell. Further improvement in the electrode manufacture and more experiments with supercapacitor cells with the known electrochemical storage materials are required. Device prototypes and commercial products with an energy density towards 15-20 Wh/kg could be realized. These may be a milestone for further supercapacitor device research and development, to narrow the storage energy gap between batteries and supercapacitors.« less

Optimum free energy in the reference functional approach for the integral equations theory

NASA Astrophysics Data System (ADS)

Ayadim, A.; Oettel, M.; Amokrane, S.

2009-03-01

We investigate the question of determining the bulk properties of liquids, required as input for practical applications of the density functional theory of inhomogeneous systems, using density functional theory itself. By considering the reference functional approach in the test particle limit, we derive an expression of the bulk free energy that is consistent with the closure of the Ornstein-Zernike equations in which the bridge functions are obtained from the reference system bridge functional. By examining the connection between the free energy functional and the formally exact bulk free energy, we obtain an improved expression of the corresponding non-local term in the standard reference hypernetted chain theory derived by Lado. In this way, we also clarify the meaning of the recently proposed criterion for determining the optimum hard-sphere diameter in the reference system. This leads to a theory in which the sole input is the reference system bridge functional both for the homogeneous system and the inhomogeneous one. The accuracy of this method is illustrated with the standard case of the Lennard-Jones fluid and with a Yukawa fluid with very short range attraction.

Long-life Li/polysulphide batteries with high sulphur loading enabled by lightweight three-dimensional nitrogen/sulphur-codoped graphene sponge

PubMed Central

Zhou, Guangmin; Paek, Eunsu; Hwang, Gyeong S.; Manthiram, Arumugam

2015-01-01

Lithium–sulphur batteries with a high theoretical energy density are regarded as promising energy storage devices for electric vehicles and large-scale electricity storage. However, the low active material utilization, low sulphur loading and poor cycling stability restrict their practical applications. Herein, we present an effective strategy to obtain Li/polysulphide batteries with high-energy density and long-cyclic life using three-dimensional nitrogen/sulphur codoped graphene sponge electrodes. The nitrogen/sulphur codoped graphene sponge electrode provides enough space for a high sulphur loading, facilitates fast charge transfer and better immobilization of polysulphide ions. The hetero-doped nitrogen/sulphur sites are demonstrated to show strong binding energy and be capable of anchoring polysulphides based on first-principles calculations. As a result, a high specific capacity of 1,200 mAh g−1 at 0.2C rate, a high-rate capacity of 430 mAh g−1 at 2C rate and excellent cycling stability for 500 cycles with ∼0.078% capacity decay per cycle are achieved. PMID:26182892

Nanowire Na0.35MnO2 from a hydrothermal method as a cathode material for aqueous asymmetric supercapacitors

NASA Astrophysics Data System (ADS)

Zhang, B. H.; Liu, Y.; Chang, Z.; Yang, Y. Q.; Wen, Z. B.; Wu, Y. P.; Holze, R.

2014-05-01

Nanowire Na0.35MnO2 was prepared by a simple and low energy consumption hydrothermal method; its electrochemical performance as a cathode material for aqueous asymmetric supercapacitors in Na2SO4 solution was investigated. Due to the nanowire structure its capacitance (157 F g-1) is much higher than that of the rod-like Na0.95MnO2 (92 F g-1) from solid phase reaction although its sodium content is lower. When it is assembled into an asymmetric aqueous supercapacitor using activated carbon as the counter electrode and aqueous 0.5 mol L-1 Na2SO4 electrolyte solution, the nanowire Na0.35MnO2 shows an energy density of 42.6 Wh kg-1 at a power density of 129.8 W kg-1 based on the total weight of the two electrode material, higher than those for the rod-like Na0.95MnO2, with an energy density of 27.3 Wh kg-1 at a power density of 74.8 W kg-1, and that of LiMn2O4. The new material presents excellent cycling behavior even when dissolved oxygen is not removed from the electrolyte solution. The results hold great promise for practical applications of this cathode material since sodium is much cheaper than lithium and its natural resources are rich.

Fourier-Legendre expansion of the one-electron density matrix of ground-state two-electron atoms.

PubMed

Ragot, Sébastien; Ruiz, María Belén

2008-09-28

The density matrix rho(r,r(')) of a spherically symmetric system can be expanded as a Fourier-Legendre series of Legendre polynomials P(l)(cos theta=rr(')rr(')). Application is here made to harmonically trapped electron pairs (i.e., Moshinsky's and Hooke's atoms), for which exact wavefunctions are known, and to the helium atom, using a near-exact wavefunction. In the present approach, generic closed form expressions are derived for the series coefficients of rho(r,r(')). The series expansions are shown to converge rapidly in each case, with respect to both the electron number and the kinetic energy. In practice, a two-term expansion accounts for most of the correlation effects, so that the correlated density matrices of the atoms at issue are essentially a linear functions of P(l)(cos theta)=cos theta. For example, in the case of Hooke's atom, a two-term expansion takes in 99.9% of the electrons and 99.6% of the kinetic energy. The correlated density matrices obtained are finally compared to their determinantal counterparts, using a simplified representation of the density matrix rho(r,r(')), suggested by the Legendre expansion. Interestingly, two-particle correlation is shown to impact the angular delocalization of each electron, in the one-particle space spanned by the r and r(') variables.

Progress and prospect on failure mechanisms of solid-state lithium batteries

NASA Astrophysics Data System (ADS)

Ma, Jun; Chen, Bingbing; Wang, Longlong; Cui, Guanglei

2018-07-01

By replacing traditional liquid organic electrolyte with solid-state electrolyte, the solid-state lithium batteries powerfully come back to the energy storage field due to their eminent safety and energy density. In recent years, a variety of solid-state lithium batteries based on excellent solid-state electrolytes are developed. However, the performance degradation of solid-state lithium batteries during cycling and storing is still a serious challenge for practical application. Therefore, this review summarizes the research progress of solid-state lithium batteries from the perspectives of failure phenomena and failure mechanisms. Additionally, the development of methodologies on studying the failure mechanisms of solid-state lithium batteries is also reviewed. Moreover, some perspectives on the remaining questions for understanding the failure behaviors and achieving long cycle life, high safety and high energy density solid-state lithium batteries are presented. This review will help researchers to recognize the status of solid-state lithium batteries objectively and attract much more research interest in conquering the failure issues of solid-state lithium batteries.

Practical stability limits of magnesium electrolytes

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

Lipson, Albert L.; Han, Sang -Don; Pan, Baofei

2016-08-13

The development of a Mg ion based energy storage system could provide several benefits relative to today's Li-ion batteries, such as improved energy density. The electrolytes for Mg batteries, which are typically designed to efficiently plate and strip Mg, have not yet been proven to work with high voltage cathode materials that are needed to achieve high energy density. One possibility is that these electrolytes are inherently unstable on porous electrodes. To determine if this is indeed the case, the electrochemical properties of a variety of electrolytes were tested using a porous carbon coating on graphite foil and stainless steelmore » electrodes. It was determined that the oxidative stability limit on these porous electrodes is considerably reduced as compared to those found using polished platinum electrodes. Furthermore, the voltage stability was found to be about 3 V vs. Mg metal for the best performing electrolytes. In conclusion, these results imply the need for further research to improve the stability of Mg electrolytes to enable high voltage Mg batteries.« less

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

PubMed

Meng, Yilin; Roux, Benoît

2015-08-11

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

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

PubMed Central

2015-01-01

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

High-performance aqueous asymmetric supercapacitor based on K0.3WO3 nanorods and nitrogen-doped porous carbon

NASA Astrophysics Data System (ADS)

Ma, Guofu; Zhang, Zhiguo; Sun, Kanjun; Feng, Enke; Peng, Hui; Zhou, Xiaozhong; Lei, Ziqiang

2016-10-01

A novel asymmetric supercapacitor device for energy storage is fabricated using K0.3WO3 nanorods as negative electrode and nitrogen-doped porous carbon (CBC-1) based on agricultural wastes corn bract as positive electrode. The K0.3WO3 nanorods are composed of some thinner needle-shaped nanorods which are parallel to each other, and the CBC-1 reveals rough surface of coral-like frameworks with abundant nanopores. The structures can provide high surface area, low diffusion paths and intercalation/de-intercalation of electrolyte ions between the electrode/electrolyte interfaces. Thus, the asymmetric supercapacitor exhibits high energy density about 26.3 Wh kg-1 at power density of 404.2 W kg-1 in the wide voltage region of 0-1.6 V, as well as a good electrochemical stability (80% capacitance retention after 1000 cycles). Such outstanding electrochemical behaviors imply the CBC-1//K0.3WO3 asymmetric supercapacitor is a promising practical energy-storage system.

Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.

PubMed

Gagliardi, Laura; Truhlar, Donald G; Li Manni, Giovanni; Carlson, Rebecca K; Hoyer, Chad E; Bao, Junwei Lucas

2017-01-17

The electronic energy of a system provides the Born-Oppenheimer potential energy for internuclear motion and thus determines molecular structure and spectra, bond energies, conformational energies, reaction barrier heights, and vibrational frequencies. The development of more efficient and more accurate ways to calculate the electronic energy of systems with inherently multiconfigurational electronic structure is essential for many applications, including transition metal and actinide chemistry, systems with partially broken bonds, many transition states, and most electronically excited states. Inherently multiconfigurational systems are called strongly correlated systems or multireference systems, where the latter name refers to the need for using more than one ("multiple") configuration state function to provide a good zero-order reference wave function. This Account describes multiconfiguration pair-density functional theory (MC-PDFT), which was developed as a way to combine the advantages of wave function theory (WFT) and density functional theory (DFT) to provide a better treatment of strongly correlated systems. First we review background material: the widely used Kohn-Sham DFT (which uses only a single Slater determinant as reference wave function), multiconfiguration WFT methods that treat inherently multiconfigurational systems based on an active space, and previous attempts to combine multiconfiguration WFT with DFT. Then we review the formulation of MC-PDFT. It is a generalization of Kohn-Sham DFT in that the electron kinetic energy and classical electrostatic energy are calculated from a reference wave function, while the rest of the energy is obtained from a density functional. However, there are two main differences with respent to Kohn-Sham DFT: (i) The reference wave function is multiconfigurational rather than being a single Slater determinant. (ii) The density functional is a function of the total density and the on-top pair density rather than being a function of the spin-up and spin-down densities. In work carried out so far, the multiconfigurational wave function is a multiconfiguration self-consistent-field wave function. The new formulation has the advantage that the reference wave function has the correct spatial and spin symmetry and can describe bond dissociation (of both single and multiple bonds) and electronic excitations in a formally and physically correct way. We then review the formulation of density functionals in terms of the on-top pair density. Finally we review successful applications of the theory to bond energies and bond dissociation potential energy curves of main-group and transition metal bonds, to barrier heights (including pericyclic reactions), to proton affinities, to the hydrogen bond energy of water dimer, to ground- and excited-state charge transfer, to valence and Rydberg excitations of molecules, and to singlet-triplet splittings of radicals. We find that that MC-PDFT can give accurate results not only with complete-active-space multiconfiguration wave functions but also with generalized-active-space multiconfiguration wave functions, which are practical for larger numbers of active electrons and active orbitals than are complete-active-space wave functions. The separated-pair approximation, which is a special case of generalized active space self-consistent-field theory, is especially promising. MC-PDFT, because it requires much less computer time and storage than pure WFT methods, has the potential to open larger and more complex strongly correlated systems to accurate simulation.

Resonant wave energy harvester based on dielectric elastomer generator

NASA Astrophysics Data System (ADS)

Moretti, Giacomo; Pietro Rosati Papini, Gastone; Righi, Michele; Forehand, David; Ingram, David; Vertechy, Rocco; Fontana, Marco

2018-03-01

Dielectric elastomer generators (DEGs) are a class of capacitive solid-state devices that employ highly stretchable dielectrics and conductors to convert mechanical energy into high-voltage direct-current electricity. Their promising performance in terms of convertible energy and power density has been mostly proven in quasi-static experimental tests with prescribed deformation. However, the assessment of their ability in harvesting energy from a dynamic oscillating source of mechanical energy is crucial to demonstrate their effectiveness in practical applications. This paper reports a first demonstration of a DEG system that is able to convert the oscillating energy carried by water waves into electricity. A DEG prototype is built using a commercial polyacrylate film (VHB 4905 by 3M) and an experimental campaign is conducted in a wave-flume facility, i.e. an artificial basin that makes it possible to generate programmed small-scale waves at different frequencies and amplitudes. In resonant conditions, the designed system demonstrates the delivery of a maximum of 0.87 W of electrical power output and 0.64 J energy generated per cycle, with corresponding densities per unit mass of dielectric elastomer of 197 W kg-1 and 145 J kg-1. Additionally, a notable maximum fraction of 18% of the input wave energy is converted into electricity. The presented results provide a promising demonstration of the operation and effectiveness of ocean wave energy converters based on elastic capacitive generators.

Electron-Ion Dynamics with Time-Dependent Density Functional Theory: Towards Predictive Solar Cell Modeling: Final Technical Report

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

Maitra, Neepa

2016-07-14

This project investigates the accuracy of currently-used functionals in time-dependent density functional theory, which is today routinely used to predict and design materials and computationally model processes in solar energy conversion. The rigorously-based electron-ion dynamics method developed here sheds light on traditional methods and overcomes challenges those methods have. The fundamental research undertaken here is important for building reliable and practical methods for materials discovery. The ultimate goal is to use these tools for the computational design of new materials for solar cell devices of high efficiency.

Description of the NIF Laser

DOE PAGES

Spaeth, M. L.; Manes, K. R.; Kalantar, D. H.; ...

2017-03-23

The possibility of imploding small capsules to produce mini-fusion explosions was explored soon after the first thermonuclear explosions in the early 1950s. Various technologies have been pursued to achieve the focused power and energy required for laboratory-scale fusion. Each technology has its own challenges. For example, electron and ion beams can deliver the large amounts of energy but must contend with Coulomb repulsion forces that make focusing these beams a daunting challenge. The demonstration of the first laser in 1960 provided a new option. Energy from laser beams can be focused and deposited within a small volume; the challenge becamemore » whether a practical laser system can be constructed that delivers the power and energy required while meeting all other demands for achieving a high-density, symmetric implosion. The National Ignition Facility (NIF) is the laser designed and built to meet the challenges for study of high-energy-density physics and inertial confinement fusion (ICF) implosions. This study describes the architecture, systems, and subsystems of NIF. Finally, it describes how they partner with each other to meet these new, complex demands and describes how laser science and technology were woven together to bring NIF into reality.« less

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

Spaeth, M. L.; Manes, K. R.; Kalantar, D. H.

The possibility of imploding small capsules to produce mini-fusion explosions was explored soon after the first thermonuclear explosions in the early 1950s. Various technologies have been pursued to achieve the focused power and energy required for laboratory-scale fusion. Each technology has its own challenges. For example, electron and ion beams can deliver the large amounts of energy but must contend with Coulomb repulsion forces that make focusing these beams a daunting challenge. The demonstration of the first laser in 1960 provided a new option. Energy from laser beams can be focused and deposited within a small volume; the challenge becamemore » whether a practical laser system can be constructed that delivers the power and energy required while meeting all other demands for achieving a high-density, symmetric implosion. The National Ignition Facility (NIF) is the laser designed and built to meet the challenges for study of high-energy-density physics and inertial confinement fusion (ICF) implosions. This study describes the architecture, systems, and subsystems of NIF. Finally, it describes how they partner with each other to meet these new, complex demands and describes how laser science and technology were woven together to bring NIF into reality.« less

Simple vertex correction improves G W band energies of bulk and two-dimensional crystals

NASA Astrophysics Data System (ADS)

Schmidt, Per S.; Patrick, Christopher E.; Thygesen, Kristian S.

2017-11-01

The G W self-energy method has long been recognized as the gold standard for quasiparticle (QP) calculations of solids in spite of the fact that the neglect of vertex corrections and the use of a density-functional theory starting point lack rigorous justification. In this work we remedy this situation by including a simple vertex correction that is consistent with a local-density approximation starting point. We analyze the effect of the self-energy by splitting it into short-range and long-range terms which are shown to govern, respectively, the center and size of the band gap. The vertex mainly improves the short-range correlations and therefore has a small effect on the band gap, while it shifts the band gap center up in energy by around 0.5 eV, in good agreement with experiments. Our analysis also explains how the relative importance of short- and long-range interactions in structures of different dimensionality is reflected in their QP energies. Inclusion of the vertex comes at practically no extra computational cost and even improves the basis set convergence compared to G W . Taken together, the method provides an efficient and rigorous improvement over the G W approximation.

Development of a high capacity toroidal Ni/Cd cell

NASA Technical Reports Server (NTRS)

Holleck, G. L.; Foos, J. S.; Avery, J. W.; Feiman, V.

1981-01-01

A nickel cadmium battery design which can offer better thermal management, higher energy density and much lower cost than the state-of-the-art is emphasized. A toroidal Ni/Cd cell concept is described. It was critically reviewed and used to develop two cell designs for practical implementation. One is a double swaged and the other a swaged welded configuration.

An Efficient Bifunctional Electrocatalyst for a Zinc-Air Battery Derived from Fe/N/C and Bimetallic Metal-Organic Framework Composites.

PubMed

Wang, Mengfan; Qian, Tao; Zhou, Jinqiu; Yan, Chenglin

2017-02-15

Efficient bifunctional electrocatalysts with desirable oxygen activities are closely related to practical applications of renewable energy systems including metal-air batteries, fuel cells, and water splitting. Here a composite material derived from a combination of bimetallic zeolitic imidazolate frameworks (denoted as BMZIFs) and Fe/N/C framework was reported as an efficient bifunctional catalyst. Although BMZIF or Fe/N/C alone exhibits undesirable oxygen reaction activity, a combination of these materials shows unprecedented ORR (half-wave potential of 0.85 V as well as comparatively superior OER activities (potential@10 mA cm -2 of 1.64 V), outperforming not only a commercial Pt/C electrocatalyst but also most reported bifunctional electrocatalysts. We then tested its practical application in Zn-air batteries. The primary batteries exhibit a high peak power density of 235 mW cm -2 , and the batteries are able to be operated smoothly for 100 cycles at a curent density of 10 mA cm -2 . The unprecedented catalytic activity can be attritued to chemical coupling effects between Fe/N/C and BMZIF and will aid the development of highly active electrocatalysts and applications for electrochemical energy devices.

Sea water magnesium fuel cell power supply

NASA Astrophysics Data System (ADS)

Hahn, Robert; Mainert, Jan; Glaw, Fabian; Lang, K.-D.

2015-08-01

An environmentally friendly magnesium fuel cell system using seawater electrolyte and atmospheric oxygen was tested under practical considerations for use as maritime power supply. The hydrogen rate and therefore the power density of the system were increased by a factor of two by using hydrogen evolution cathodes with a gas separation membrane instead of submerged cathodes without gas separation. Commercial magnesium AZ31 rolled sheet anodes can be dissolved in seawater for hydrogen production, down to a thickness below 100 μm thickness, resulting in hydrogen generation efficiency of the anode of over 80%. A practical specific energy/energy density of the alloy of more than 1200 Wh/kg/3000 Wh/l was achieved when coupled to a fuel cell with atmospheric air breathing cathode. The performance of several AZ31 alloy anodes was tested as well as the influence of temperature, electrolyte concentration and anode - cathode separation. The excess hydrogen produced by the magnesium hydrogen evolving cell, due to the negative difference effect, is proportional to the cell current in case of the AZ31 alloys, which simplifies system control considerably. Stable long-term operation of the system was demonstrated at low pressures which can be maintained in an open-seawater-submerged hydrogen generator.

Scaling of Energy Deposition in Fast Ignition Targets

NASA Astrophysics Data System (ADS)

Campbell, R. B.; Welch, Dale

2005-10-01

We examine the scaling to ignition of the energy deposition of laser generated electrons in compressed fast ignition cores. Relevant cores have densities of several hundred g/cm^3, with a few keV initial temperature. As the laser intensities increase approaching ignition systems, on the order of a few 10^21W/cm^2, the hot electron energies expected to approach 100MeV[1]. Most certainly anomalous processes must play a role in the energy transfer, but the exact nature of these processes, as well as a practical way to model them, remain open issues. Traditional PIC explicit methods are limited to low densities on current and anticipated computing platforms, so the study of relevant parameter ranges has received so far little attention. We use LSP[2] to examine a relativistic electron beam (presumed generated from a laser plasma interaction) of legislated energy and angular distribution is injected into a 3D block of compressed DT. Collective effects will determine the stopping, most likely driven by magnetic field filamentation. The scaling of the stopping as a function of block density and temperature, as well as hot electron current and laser intensity is presented. Sub-grid models may be profitably used and degenerate effects included in the solution of this problem. Sandia is operated by Sandia Corporation, for the USDOE. [1] A. Pukhov, et. al., Phys. Plas. 6, p2847 (1999) [2] D. R. Welch et al., Comput. Phys.Commun. 164, p183 (2004).

Electrochemical oxidation of COD from real textile wastewaters: Kinetic study and energy consumption.

PubMed

Zou, Jiaxiu; Peng, Xiaolan; Li, Miao; Xiong, Ying; Wang, Bing; Dong, Faqin; Wang, Bin

2017-03-01

In the present study, the electrochemical oxidation of real wastewaters discharged by textile industry was carried out using a boron-doped diamond (BDD) anode. The effect of operational variables, such as applied current density (20-100 mA·cm -2 ), NaCl concentration added to the real wastewaters (0-3 g·L -1 ), and pH value (2.0-10.0), on the kinetics of COD oxidation and on the energy consumption was carefully investigated. The obtained experimental results could be well matched with a proposed kinetic model, in which the indirect oxidation mediated by electrogenerated strong oxidants would be described through a pseudo-first-order kinetic constant k. Values of k exhibited a linear increase with increasing applied current density and decreasing pH value, and an exponential increase with NaCl concentration. Furthermore, high oxidation kinetics resulted in low specific energy consumption, but this conclusion was not suitable to the results obtained under different applied current density. Under the optimum operational conditions, it only took 3 h to complete remove the COD in the real textile wastewaters and the specific energy consumption could be as low as 11.12 kWh·kg -1  COD. The obtained results, low energy consumption and short electrolysis time, allowed to conclude that the electrochemical oxidation based on BDD anodes would have practical industrial application for the treatment of real textile wastewater. Copyright © 2016 Elsevier Ltd. All rights reserved.

Resolving the degradation pathways in high-voltage oxides for high-energy-density lithium-ion batteries; Alternation in chemistry, composition and crystal structures

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

Mohanty, Debasish; Mazumder, Baishakhi; Devaraj, Arun

Our development of stable high-voltage (HV), high capacity (HC) cathode oxides is indispensable to enhancing the performance of current high-energy-density (HED) lithium-ion batteries. Overstoichiometric, layered Li- and Mn-rich (LMR) composite oxides are promising materials for HV-HC cathodes for HED batteries; however, their practical use is limited. By probing the crystal structure, magnetic structure, and microstructure of the Li 1.2Mn 0.55Ni 0.15Co 0.1O 2 LMR oxide, we demonstrate that the oxide loses its pristine chemistry, structure, and composition during the first charge-discharge cycle and that it proceeds through a series of progressive events that introduce impediments on the ion mobility pathways.more » Here, we discovered i) the presence of tetrahedral Mn 3+, interlayer cation intermixing, interface of layered-spinel, and structurally rearranged domains, cation segregation at an HV charged state, and ii) the loss of Li ions, inhomogeneous distribution of Li/Ni, and structurally transformed domains after the first discharge. Our results will advance our fundamental understanding of the obstacles related to ion migration pathways in HV-HC cathode systems and will enable us to formulate design rules for use of such materials in high-energy-density electrochemical-energy-storage devices.« less

Resolving the degradation pathways in high-voltage oxides for high-energy-density lithium-ion batteries; Alternation in chemistry, composition and crystal structures

DOE PAGES

Mohanty, Debasish; Mazumder, Baishakhi; Devaraj, Arun; ...

2017-04-05

Our development of stable high-voltage (HV), high capacity (HC) cathode oxides is indispensable to enhancing the performance of current high-energy-density (HED) lithium-ion batteries. Overstoichiometric, layered Li- and Mn-rich (LMR) composite oxides are promising materials for HV-HC cathodes for HED batteries; however, their practical use is limited. By probing the crystal structure, magnetic structure, and microstructure of the Li 1.2Mn 0.55Ni 0.15Co 0.1O 2 LMR oxide, we demonstrate that the oxide loses its pristine chemistry, structure, and composition during the first charge-discharge cycle and that it proceeds through a series of progressive events that introduce impediments on the ion mobility pathways.more » Here, we discovered i) the presence of tetrahedral Mn 3+, interlayer cation intermixing, interface of layered-spinel, and structurally rearranged domains, cation segregation at an HV charged state, and ii) the loss of Li ions, inhomogeneous distribution of Li/Ni, and structurally transformed domains after the first discharge. Our results will advance our fundamental understanding of the obstacles related to ion migration pathways in HV-HC cathode systems and will enable us to formulate design rules for use of such materials in high-energy-density electrochemical-energy-storage devices.« less

Energy density of bloaters in the upper Great Lakes

USGS Publications Warehouse

Pothoven, Steven A.; Bunnell, David B.; Madenjian, Charles P.; Gorman, Owen T.; Roseman, Edward F.

2012-01-01

We evaluated the energy density of bloaters Coregonus hoyi as a function of fish size across Lakes Michigan, Huron, and Superior in 2008–2009 and assessed how differences in energy density are related to factors such as biomass density of bloaters and availability of prey. Additional objectives were to compare energy density between sexes and to compare energy densities of bloaters in Lake Michigan between two time periods (1998–2001 and 2008–2009). For the cross-lake comparisons in 2008, energy density increased with fish total length (TL) only in Lake Michigan. Mean energy density adjusted for fish size was 8% higher in bloaters from Lake Superior than in bloaters from Lake Huron. Relative to fish in these two lakes, small (175 mm TL) bloaters had higher energy density. In 2009, energy density increased with bloater size, and mean energy density adjusted for fish size was about 9% higher in Lake Michigan than in Lake Huron (Lake Superior was not sampled during 2009). Energy density of bloaters in Lake Huron was generally the lowest among lakes, reflecting the relatively low densities of opossum shrimp Mysis diluviana and the relatively high biomass of bloaters reported for that lake. Other factors, such as energy content of prey, growing season, or ontogenetic differences in energy use strategies, may also influence cross-lake variation in energy density. Mean energy density adjusted for length was 7% higher for female bloaters than for male bloaters in Lakes Michigan and Huron. In Lake Superior, energy density did not differ between males and females. Finally, energy density of bloaters in Lake Michigan was similar between the periods 2008–2009 and 1998–2001, possibly due to a low population abundance of bloaters, which could offset food availability changes linked to the loss of prey such as the amphipods Diporeia spp.

Density Imaging of Puy de Dôme Volcano by Joint Inversion of Muographic and Gravimetric Data

NASA Astrophysics Data System (ADS)

Barnoud, A.; Niess, V.; Le Ménédeu, E.; Cayol, V.; Carloganu, C.

2016-12-01

We aim at jointly inverting high density muographic and gravimetric data to robustly infer the density structure of volcanoes. We use the puy de Dôme volcano in France as a proof of principle since high quality data sets are available for both muography and gravimetry. Gravimetric inversion and muography are independent methods that provide an estimation of density distributions. On the one hand, gravimetry allows to reconstruct 3D density variations by inversion. This process is well known to be ill-posed and intrinsically non unique, thus it requires additional constraints (eg. a priori density model). On the other hand, muography provides a direct measurement of 2D mean densities (radiographic images) from the detection of high energy atmospheric muons crossing the volcanic edifice. 3D density distributions can be computed from several radiographic images, but the number of images is generally limited by field constraints and by the limited number of available telescopes. Thus, muon tomography is also ill-posed in practice.In the case of the puy de Dôme volcano, the density structures inferred from gravimetric data (Portal et al. 2016) and from muographic data (Le Ménédeu et al. 2016) show a qualitative agreement but cannot be compared quantitatively. Because each method has different intrinsic resolutions due to the physics (Jourde et al., 2015), the joint inversion is expected to improve the robustness of the inversion. Such joint inversion has already been applied in a volcanic context (Nishiyama et al., 2013).Volcano muography requires state-of-art, high-resolution and large-scale muon detectors (Ambrosino et al., 2015). Instrumental uncertainties and systematic errors may constitute an important limitation for muography and should not be overlooked. For instance, low-energy muons are detected together with ballistic high-energy muons, decreasing the measured value of the mean density closed to the topography.Here, we jointly invert the gravimetric and muographic data to characterize the 3D density distribution of the puy de Dôme volcano. We attempt to precisely identify and estimate the different uncertainties and systematic errors so that they can be accounted for in the inversion scheme.

Inadequate feeding practices and impaired growth among children from subsistence farming households in Sidama, Southern Ethiopia.

PubMed

Gibson, Rosalind S; Abebe, Yewelsew; Hambidge, K Michael; Arbide, Isabel; Teshome, Aklilu; Stoecker, Barbara J

2009-07-01

Whether current child feeding practices and behaviours among rural households in Sidama, Southern Ethiopia conform to the World Health Organization (WHO) guiding principles for complementary feeding is uncertain. We assessed socio-demographic status, anthropometry, breastfeeding, complementary feeding practices and behaviours, and motor development milestones in a convenience sample of 97 breastfed children aged 6-23 months from three rural Sidama communities. Energy and nutrient intakes from complementary foods were also calculated from 1-day in-home weighed records. Prevalence of stunting ranged from 25% for infants aged 6-8 months to 52% for children aged 12-23 months, whereas for wasting, the corresponding prevalence was 10% and 14%, respectively. Very few children were exclusively breastfed up to 6 months of age (n = 2), or received solids/semi-solids for the recommended minimum number of times containing the recommended number of food groups. Responsive feeding was not practised and no cellular animal products were consumed. Median intakes of energy, and intakes and densities of micronutrients from complementary foods (but not protein) were below WHO recommendations, assuming average breast milk intakes; greatest shortfalls were for retinol, vitamin C and calcium densities. Mothers of stunted children were shorter and lighter, and from households of lower socio-economic status than non-stunted children (P < 0.05). Acquisition of some motor development milestones was delayed in stunted infants compared with their non-stunted counter-parts. In conclusion, interventions that address the WHO guiding principles for complementary feeding practices and behaviours, as well as prenatal influences on growth, are urgently required in this setting.

Understanding the Relationship Between Food Variety, Food Intake, and Energy Balance.

PubMed

Raynor, Hollie A; Vadiveloo, Maya

2018-03-01

In accordance with US dietary guidance, incorporating variety into the diet can align with energy balance, though greater food variety in some categories may make energy balance more challenging. Thus, experimental and epidemiologic evidence is summarized on the relationship between food variety, food and energy intake, and energy balance. Lab-based, experimental research consistently demonstrates that greater variety within foods or sensory characteristics of food increases food and energy intake within an eating occasion. Epidemiologic evidence is less consistent, potentially driven by differing methodologies, particularly in defining and measuring food variety. Moreover, the effect of variety on energy balance appears to be moderated by food energy density. Integrating insights from experimental and epidemiologic research are essential for strengthening food variety guidance including developing evidence-based definitions of food variety, understanding moderators of the relationship, and developing practical guidance interpretable to consumers.

Acoustic energy harvesting based on a planar acoustic metamaterial

NASA Astrophysics Data System (ADS)

Qi, Shuibao; Oudich, Mourad; Li, Yong; Assouar, Badreddine

2016-06-01

We theoretically report on an innovative and practical acoustic energy harvester based on a defected acoustic metamaterial (AMM) with piezoelectric material. The idea is to create suitable resonant defects in an AMM to confine the strain energy originating from an acoustic incidence. This scavenged energy is converted into electrical energy by attaching a structured piezoelectric material into the defect area of the AMM. We show an acoustic energy harvester based on a meta-structure capable of producing electrical power from an acoustic pressure. Numerical simulations are provided to analyze and elucidate the principles and the performances of the proposed system. A maximum output voltage of 1.3 V and a power density of 0.54 μW/cm3 are obtained at a frequency of 2257.5 Hz. The proposed concept should have broad applications on energy harvesting as well as on low-frequency sound isolation, since this system acts as both acoustic insulator and energy harvester.

High-energy redox-flow batteries with hybrid metal foam electrodes.

PubMed

Park, Min-Sik; Lee, Nam-Jin; Lee, Seung-Wook; Kim, Ki Jae; Oh, Duk-Jin; Kim, Young-Jun

2014-07-09

A nonaqueous redox-flow battery employing [Co(bpy)3](+/2+) and [Fe(bpy)3](2+/3+) redox couples is proposed for use in large-scale energy-storage applications. We successfully demonstrate a redox-flow battery with a practical operating voltage of over 2.1 V and an energy efficiency of 85% through a rational cell design. By utilizing carbon-coated Ni-FeCrAl and Cu metal foam electrodes, the electrochemical reactivity and stability of the nonaqueous redox-flow battery can be considerably enhanced. Our approach intoduces a more efficient conversion of chemical energy into electrical energy and enhances long-term cell durability. The cell exhibits an outstanding cyclic performance of more than 300 cycles without any significant loss of energy efficiency. Considering the increasing demands for efficient energy storage, our achievement provides insight into a possible development pathway for nonaqueous redox-flow batteries with high energy densities.

Two-Dimensional Metal Oxide Nanomaterials for Next-Generation Rechargeable Batteries.

PubMed

Mei, Jun; Liao, Ting; Kou, Liangzhi; Sun, Ziqi

2017-12-01

The exponential increase in research focused on two-dimensional (2D) metal oxides has offered an unprecedented opportunity for their use in energy conversion and storage devices, especially for promising next-generation rechargeable batteries, such as lithium-ion batteries (LIBs) and sodium-ion batteries (NIBs), as well as some post-lithium batteries, including lithium-sulfur batteries, lithium-air batteries, etc. The introduction of well-designed 2D metal oxide nanomaterials into next-generation rechargeable batteries has significantly enhanced the performance of these energy-storage devices by providing higher chemically active interfaces, shortened ion-diffusion lengths, and improved in-plane carrier-/charge-transport kinetics, which have greatly promoted the development of nanotechnology and the practical application of rechargeable batteries. Here, the recent progress in the application of 2D metal oxide nanomaterials in a series of rechargeable LIBs, NIBs, and other post lithium-ion batteries is reviewed relatively comprehensively. Current opportunities and future challenges for the application of 2D nanomaterials in energy-storage devices to achieve high energy density, high power density, stable cyclability, etc. are summarized and outlined. It is believed that the integration of 2D metal oxide nanomaterials in these clean energy devices offers great opportunities to address challenges driven by increasing global energy demands. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Somatic maturation and the relationship between bone mineral variables and types of sports among adolescents: cross-sectional study.

PubMed

Agostinete, Ricardo Ribeiro; Ito, Igor Hideki; Kemper, Han; Pastre, Carlos Marcelo; Rodrigues-Júnior, Mário Antônio; Luiz-de-Marco, Rafael; Fernandes, Rômulo Araújo

2017-01-01

Peak height velocity (PHV) is an important maturational event during adolescence that affects skeleton size. The objective here was to compare bone variables in adolescents who practiced different types of sports, and to identify whether differences in bone variables attributed to sports practice were dependent on somatic maturation status. Cross-sectional study, São Paulo State University (UNESP). The study was composed of 93 adolescents (12 to 16.5 years old), divided into three groups: no-sport group (n = 42), soccer/basketball group (n = 26) and swimming group (n = 25). Bone mineral density and content were measured using dual-energy x-ray absorptiometry and somatic maturation was estimated through using peak height velocity. Data on training load were provided by the coaches. Adolescents whose PHV occurred at an older age presented higher bone mineral density in their upper limbs (P = 0.018). After adjustments for confounders, such as somatic maturation, the swimmers presented lower values for bone mineral density in their lower limbs, spine and whole body. Only the bone mineral density in the upper limbs was similar between the groups. There was a negative relationship between whole-body bone mineral content and the weekly training hours (β: -1563.967; 95% confidence interval, CI: -2916.484 to -211.450). The differences in bone variables attributed to sport practice occurred independently of maturation, while high training load in situations of hypogravity seemed to be related to lower bone mass in swimmers.

Bioelectrochemical oxidation of water.

PubMed

Pita, Marcos; Mate, Diana M; Gonzalez-Perez, David; Shleev, Sergey; Fernandez, Victor M; Alcalde, Miguel; De Lacey, Antonio L

2014-04-23

The electrolysis of water provides a link between electrical energy and hydrogen, a high energy density fuel and a versatile energy carrier, but the process is very expensive. Indeed, the main challenge is to reduce energy consumption for large-scale applications using efficient renewable catalysts that can be produced at low cost. Here we present for the first time that laccase can catalyze electrooxidation of H2O to molecular oxygen. Native and laboratory-evolved laccases immobilized onto electrodes serve as bioelectrocatalytic systems with low overpotential and a high O2 evolution ratio against H2O2 production during H2O electrolysis. Our results open new research ground on H2O splitting, as they overcome serious practical limitations associated with artificial electrocatalysts currently used for O2 evolution.

Representation of radiative strength functions within a practical model of cascade gamma decay

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

Vu, D. C., E-mail: vuconghnue@gmail.com; Sukhovoj, A. M., E-mail: suchovoj@nf.jinr.ru; Mitsyna, L. V., E-mail: mitsyna@nf.jinr.ru

A practical model developed at the Joint Institute for Nuclear Research (JINR, Dubna) in order to describe the cascade gamma decay of neutron resonances makes it possible to determine simultaneously, from an approximation of the intensities of two-step cascades, parameters of nuclear level densities and partial widths with respect to the emission of nuclear-reaction products. The number of the phenomenological ideas used isminimized in themodel version considered in the present study. An analysis of new results confirms what was obtained earlier for the dependence of dynamics of the interaction of fermion and boson nuclear states on the nuclear shape. Frommore » the ratio of the level densities for excitations of the vibrational and quasiparticle types, it also follows that this interaction manifests itself in the region around the neutron binding energy and is probably different in nuclei that have different parities of nucleons.« less

A high gain energy amplifier operated with fast neutrons

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

Rubbia, C.

1995-10-01

The basic concept and the main practical considerations of an Energy Amplifier (EA) have been exhaustively described elsewhere. Here the concept of the EA is further explored and additional schemes are described which offer a higher gain, a larger maximum power density and an extended burn-up. All these benefits stem from the use of fast neutrons, instead of thermal or epithermal ones, which was the case in the original study. The higher gain is due both to a more efficient high energy target configuration and to a larger, practical value of the multiplication factor. The higher power density results frommore » the higher permissible neutron flux, which in turn is related to the reduced rate of {sup 233}Pa neutron captures (which, as is well known, suppress the formation of the fissile {sup 233}U fuel) and the much smaller k variations after switch-off due to {sup 233}Pa decays for a given burn-up rate. Finally a longer integrated burn-up is made possible by reduced capture rate by fission fragments of fast neutrons. In practice a 20 MW proton beam (20 mA @ 1 GeV) accelerated by a cyclotron will suffice to operate a compact EA at the level of {approx} 1 GW{sub e}. The integrated fuel burn-up can be extended in excess of 100 GW d/ton, limited by the mechanical survival of the fuel elements. Radio-Toxicity accumulated at the end of the cycle is found to be largely inferior to the one of an ordinary Reactor for the same energy produced. Schemes are proposed which make a {open_quotes}melt-down{close_quotes} virtually impossible. The conversion ratio, namely the rate of production of {sup 233}U relative to consumption is generally larger than unity, which permits production of fuel for other uses. Alternatively the neutron excess can be used to transform unwanted {open_quotes}ashes{close_quotes} into more acceptable elements.« less

Stabilization of Lithium-Metal Batteries Based on the in Situ Formation of a Stable Solid Electrolyte Interphase Layer.

PubMed

Park, Seong-Jin; Hwang, Jang-Yeon; Yoon, Chong S; Jung, Hun-Gi; Sun, Yang-Kook

2018-05-30

Lithium (Li) metals have been considered most promising candidates as an anode to increase the energy density of Li-ion batteries because of their ultrahigh specific capacity (3860 mA h g -1 ) and lowest redox potential (-3.040 V vs standard hydrogen electrode). However, unstable dendritic electrodeposition, low Coulombic efficiency, and infinite volume changes severely hinder their practical uses. Herein, we report that ethyl methyl carbonate (EMC)- and fluoroethylene carbonate (FEC)-based electrolytes significantly enhance the energy density and cycling stability of Li-metal batteries (LMBs). In LMBs, using commercialized Ni-rich Li[Ni 0.6 Co 0.2 Mn 0.2 ]O 2 (NCM622) and 1 M LiPF 6 in EMC/FEC = 3:1 electrolyte exhibits a high initial capacity of 1.8 mA h cm -2 with superior cycling stability and high Coulombic efficiency above 99.8% for 500 cycles while delivering a unprecedented energy density. The present work also highlights a significant improvement in scaled-up pouch-type Li/NCM622 cells. Moreover, the postmortem characterization of the cycled cathodes, separators, and Li-metal anodes collected from the pouch-type Li/NCM622 cells helped identifying the improvement or degradation mechanisms behind the observed electrochemical cycling.

Adsorption and dissociation mechanism of SO2 and H2S on Pt decorated graphene: a DFT-D3 study

NASA Astrophysics Data System (ADS)

Chen, Dachang; Zhang, Xiaoxing; Tang, Ju; Fang, Jiani; Li, Yi; Liu, Huijun

2018-06-01

This study explores the diffusion behavior of one Pt atom on graphene as well as the interaction mechanism between two types of gas molecule (SO2 and H2S) and Pt-graphene based on density functional theory (DFT) considering a dispersion correction about van der Walls force. Results suggest that one Pt atom shows high mobility with low activation energy and Pt doped graphene exhibits relatively stronger interaction with H2S than SO2 according to adsorption energy. SO2 accepts electrons from Pt-graphene while H2S losses electrons. Both two molecules introduce obvious hybridization with Pt-graphene in density of states. The charge density difference and Electron Localization Function (ELF) configurations indicate evident changes in the distribution of electrons about Pt-graphene and gas molecule before and after gas adsorption. H2S is easy to dissociate on Pt-graphene due to the much lower energy barrier compared to SO2. The work provides quantum chemistry methods to investigate the chemical interaction between Pt decorated graphene and two typical gases to shed light on practical application of Pt-graphene in adsorbing and detecting these two kinds of gases or other types of gases.

Electrolyte additive enabled fast charging and stable cycling lithium metal batteries

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

Zheng, Jianming; Engelhard, Mark H.; Mei, Donghai

2017-03-01

Batteries using lithium (Li) metal as anodes are considered promising energy storage systems because of their high energy densities. However, safety concerns associated with dendrite growth along with limited cycle life, especially at high charge current densities, hinder their practical uses. Here we report that an optimal amount (0.05 M) of LiPF6 as an additive in LiTFSI-LiBOB dual-salt/carbonate-solvent-based electrolytes significantly enhances the charging capability and cycling stability of Li metal batteries. In a Li metal battery using a 4-V Li-ion cathode at a moderately high loading of 1.75mAh cm(-2), a cyclability of 97.1% capacity retention after 500 cycles along withmore » very limited increase in electrode overpotential is accomplished at a charge/discharge current density up to 1.75 mA cm(-2). The fast charging and stable cycling performances are ascribed to the generation of a robust and conductive solid electrolyte interphase at the Li metal surface and stabilization of the Al cathode current collector.« less

Beyond the random-phase approximation for the electron correlation energy: the importance of single excitations.

PubMed

Ren, Xinguo; Tkatchenko, Alexandre; Rinke, Patrick; Scheffler, Matthias

2011-04-15

The random-phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange (EX) energy, represents the state-of-the-art exchange-correlation functional within density-functional theory. However, the standard RPA practice--evaluating both the EX and the RPA correlation energies using Kohn-Sham (KS) orbitals from local or semilocal exchange-correlation functionals--leads to a systematic underbinding of molecules and solids. Here we demonstrate that this behavior can be corrected by adding a "single excitation" contribution, so far not included in the standard RPA scheme. A similar improvement can also be achieved by replacing the non-self-consistent EX total energy by the corresponding self-consistent Hartree-Fock total energy, while retaining the RPA correlation energy evaluated using KS orbitals. Both schemes achieve chemical accuracy for a standard benchmark set of noncovalent intermolecular interactions.

Highly transparent triboelectric nanogenerator for harvesting water-related energy reinforced by antireflection coating

NASA Astrophysics Data System (ADS)

Liang, Qijie; Yan, Xiaoqin; Gu, Yousong; Zhang, Kui; Liang, Mengyuan; Lu, Shengnan; Zheng, Xin; Zhang, Yue

2015-03-01

Water-related energy is an inexhaustible and renewable energy resource in our environment, which has huge amount of energy and is not largely dictated by daytime and sunlight. The transparent characteristic plays a key role in practical applications for some devices designed for harvesting water-related energy. In this paper, a highly transparent triboelectric nanogenerator (T-TENG) was designed to harvest the electrostatic energy from flowing water. The instantaneous output power density of the T-TENG is 11.56 mW/m2. Moreover, with the PTFE film acting as an antireflection coating, the maximum transmittance of the fabricated T-TENG is 87.4%, which is larger than that of individual glass substrate. The T-TENG can be integrated with silicon-based solar cell, building glass and car glass, which demonstrates its potential applications for harvesting waste water energy in our living environment and on smart home system and smart car system.

Highly transparent triboelectric nanogenerator for harvesting water-related energy reinforced by antireflection coating.

PubMed

Liang, Qijie; Yan, Xiaoqin; Gu, Yousong; Zhang, Kui; Liang, Mengyuan; Lu, Shengnan; Zheng, Xin; Zhang, Yue

2015-03-13

Water-related energy is an inexhaustible and renewable energy resource in our environment, which has huge amount of energy and is not largely dictated by daytime and sunlight. The transparent characteristic plays a key role in practical applications for some devices designed for harvesting water-related energy. In this paper, a highly transparent triboelectric nanogenerator (T-TENG) was designed to harvest the electrostatic energy from flowing water. The instantaneous output power density of the T-TENG is 11.56 mW/m(2). Moreover, with the PTFE film acting as an antireflection coating, the maximum transmittance of the fabricated T-TENG is 87.4%, which is larger than that of individual glass substrate. The T-TENG can be integrated with silicon-based solar cell, building glass and car glass, which demonstrates its potential applications for harvesting waste water energy in our living environment and on smart home system and smart car system.

Vibrational micro-energy harvesters utilizing Nb-doped Pb(Zr,Ti)O3 films on stainless steel substrates

NASA Astrophysics Data System (ADS)

Van Minh, L.; Sano, T.; Fujii, T.; Kuwano, H.

2016-11-01

This work presents the micromachined energy harvesters using Nb-doped Pb(Zr,Ti)O3 (PNZT) films grown directly on the stainless steel substrates (SUS430). Piezoelectric materials on metallic substrates have been attracted to practical and robust energy harvesters. Nb-doped PZT films with (001)-preferred orientation grown on SUS substrates provided excellent properties for energy harvesting - high piezoelectric coefficient (e 31 = -10.6 C/m2) and low dielectric permittivity (ɛr = 373). The PNZT-based micro-energy harvester comprising a cantilever of 1.7 mm× 5 mm × 0.05 mm and a proof mass of 3 mm× 5 mm × 47 mm achieved the normalized power density (NPD) of 2.87 mW.g-2.cm-3. It is the highest performance among the published SUS-based energy harvesters, being closer to the best Si- based energy harvesters.

Advancing Lithium Metal Batteries

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

Liu, Bin; Zhang, Ji-Guang; Xu, Wu

Considering the unsatisfied energy density of traditional graphite anode-based lithium (Li)-ion batteries, any alterative high capacity anodes will be highly expected to be practically applied in future high energy battery systems. Li metal is regarded as one of the most promising anodes due to its ultrahigh capacity (3860 mAh g-1), the lowest standard negative electrochemical potential (-3.040 V) and the very low gravimetric density (0.534 g cm-3). However, dendrite growth and high reactivity of Li metal result in low cycling efficiency and severe safety concerns. The revival of research and development on Li metal anode in recent years has broughtmore » new in-depth understandings and key experimental achievements regarding Li metal protection and enhanced performances of Li-metal batteries. In this perspective article, we first concisely review the recent discoveries and then offer possible research directions for further development of Li metal batteries.« less

Polyarene mediators for mediated redox flow battery

DOEpatents

Delnick, Frank M.; Ingersoll, David; Liang, Chengdu

2018-01-02

The fundamental charge storage mechanisms in a number of currently studied high energy redox couples are based on intercalation, conversion, or displacement reactions. With exception to certain metal-air chemistries, most often the active redox materials are stored physically in the electrochemical cell stack thereby lowering the practical gravimetric and volumetric energy density as a tradeoff to achieve reasonable power density. In a general embodiment, a mediated redox flow battery includes a series of secondary organic molecules that form highly reduced anionic radicals as reaction mediator pairs for the reduction and oxidation of primary high capacity redox species ex situ from the electrochemical cell stack. Arenes are reduced to stable anionic radicals that in turn reduce a primary anode to the charged state. The primary anode is then discharged using a second lower potential (more positive) arene. Compatible separators and solvents are also disclosed herein.

Magnetic exchange couplings from noncollinear perturbation theory: dinuclear CuII complexes.

PubMed

Phillips, Jordan J; Peralta, Juan E

2014-08-07

To benchmark the performance of a new method based on noncollinear coupled-perturbed density functional theory [J. Chem. Phys. 138, 174115 (2013)], we calculate the magnetic exchange couplings in a series of triply bridged ferromagnetic dinuclear Cu(II) complexes that have been recently synthesized [Phys. Chem. Chem. Phys. 15, 1966 (2013)]. We find that for any basis-set the couplings from our noncollinear coupled-perturbed methodology are practically identical to those of spin-projected energy-differences when a hybrid density functional approximation is employed. This demonstrates that our methodology properly recovers a Heisenberg description for these systems, and is robust in its predictive power of magnetic couplings. Furthermore, this indicates that the failure of density functional theory to capture the subtle variation of the exchange couplings in these complexes is not simply an artifact of broken-symmetry methods, but rather a fundamental weakness of current approximate density functionals for the description of magnetic couplings.

Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry.

PubMed

Tao, Jianmin; Mo, Yuxiang

2016-08-12

Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional exchange hole presents a great challenge, due to the delocalization of the hole. Making use of the property that the hole can be made localized under a general coordinate transformation, here we derive an exchange hole from the density matrix expansion, while the correlation part is obtained by imposing the low-density limit constraint. From the hole, a semilocal exchange-correlation functional is calculated. Our comprehensive test shows that this functional can achieve remarkable accuracy for diverse properties of molecules, solids, and solid surfaces, substantially improving upon the nonempirical functionals proposed in recent years. Accurate semilocal functionals based on their associated holes are physically appealing and practically useful for developing nonlocal functionals.

Enhanced Lithium Oxygen Battery Using a Glyme Electrolyte and Carbon Nanotubes.

PubMed

Carbone, Lorenzo; Moro, Paolo Tomislav; Gobet, Mallory; Munoz, Stephen; Devany, Matthew; Greenbaum, Steven G; Hassoun, Jusef

2018-05-16

The lithium oxygen battery has a theoretical energy density potentially meeting the challenging requirements of electric vehicles. However, safety concerns and short lifespan hinder its application in practical systems. In this work, we show a cell configuration, including a multiwalled carbon nanotube electrode and a low flammability glyme electrolyte, capable of hundreds of cycles without signs of decay. Nuclear magnetic resonance and electrochemical tests confirm the suitability of the electrolyte in a practical battery, whereas morphological and structural aspects revealed by electron microscopy and X-ray diffraction demonstrate the reversible formation and dissolution of lithium peroxide during the electrochemical process. The enhanced cycle life of the cell and the high safety of the electrolyte suggest the lithium oxygen battery herein reported as a viable system for the next generation of high-energy applications.

Electrochemical Characterization of Vanadium Pentoxide (V 2O5) And Activated Carbon (AC) Electrodes in Multivalent Aluminum Nitrate (Al(NO3)3) Electrolyte for Battery-Type Hybrid Supercapacitor Applications

NASA Astrophysics Data System (ADS)

Solanki, Ketan Subhash

Hybrid supercapacitors (HSC) have been extensively investigated for enhanced charge storage capacity (Yoo, et al. 2014). Although Li-ion batteries are known for high energy density, but their limited power density has driven the research toward developing hybrid supercapacitors (Jayalakshmi and Balasubramanian 2008). They combine non-faradic properties of electric double layer capacitors (EDLC) and faradic properties of pseudocapacitors to provide high energy density without compromising high Power density (Yoo, et al. 2014) (Lukatskaya, Dunn and Gogotsi 2016). In HSC, one electrode will store energy by double layer mechanism whereas the other stores through redox intercalation or surface redox reactions (Lukatskaya, Dunn and Gogotsi 2016) (Karthikeyan, et al. 2010). In this study, we have examined the electrochemical characteristics of vanadium pentoxide (V2O5) and activated carbon (AC) in an aqueous multivalent aluminum nitrate (nonhydrate, Al(NO3)3) electrolyte for viable electrode applications in battery-type hybrid supercapacitors, also known as supercapattery. A Specific capacitance of 340 Fg -1 was obtained at a scanning rate of 10 mV/s. Although this configuration showed promising storage and cyclability capability but the voltage for intercalation of Al3+ ions occurred below zero voltage. Hence, right selection of electrodes for such configurations may help in obtaining intercalation and de-intercalation voltages above zero volt and thereby result in a viable practical application with better performance.

Controlling the formation of rodlike V2O5 nanocrystals on reduced graphene oxide for high-performance supercapacitors.

PubMed

Li, Meili; Sun, Guoying; Yin, Pingping; Ruan, Changping; Ai, Kelong

2013-11-13

Vanadium pentoxide (V2O5) has attracted much attention for energy storage application because of its high Faradaic activity and stable crystal structure, which make it a promising electrode material for supercapacitors. However, the low electronic conductivity and small lithium-ion diffusion coefficient of V2O5 limit its practical applications. To overcome these limitations, a facile and efficient method is here demonstrated for the fabrication of V2O5/reduced graphene oxide (rGO) nanocomposites as electrode materials for supercapacitors. With this method, the reduction of graphene oxide can be achieved in a cost-effective and environmentally friendly solvent, without the addition of any other toxic reducing agent. Importantly, this solvent can control the formation of the uniform rodlike V2O5 nanocrystals on the surface of rGO. Compared to pure V2O5 microspheres, the V2O5/rGO nanocomposites exhibited a higher specific capacitance of 537 F g(-1) at a current density of 1 A g(-1) in neutral aqueous electrolytes, a higher energy density of 74.58 Wh kg(-1) at a power density of 500 W kg(-1), and better stability even after 1000 charge/discharge cycles. Their excellent performances can be attributed to the synergistic effect of rGO and rodlike V2O5 nanocrystals. Such impressive results may promote new opportunities for these electrode materials in high-energy-density storage systems.

Microwave-Assisted Rapid Synthesis of Self-Assembled T-Nb2 O5 Nanowires for High-Energy Hybrid Supercapacitors.

PubMed

Yang, Huiling; Xu, Henghui; Wang, Libin; Zhang, Lei; Huang, Yunhui; Hu, Xianluo

2017-03-23

Recently ion-intercalation hybrid supercapacitors, with high energy density at high power density, have been widely investigated to meet ever-increasing practical demands. Here, a unique hybrid supercapacitor has been designed and fabricated using self-assembled orthorhombic-phase niobium oxide@carbon (T-Nb 2 O 5 @C) nanowires as an anode and commercially available activated carbon as a cathode. The 3D-interconnected T-Nb 2 O 5 @C nanowires have been synthesized through a highly efficient microwave-solvothermal method, combined with subsequent thermal treatment. The experimental parameters (e.g., time and temperature) can be easily programmed, and the synthesis time can be significantly shortened, thus enabling the buildup of abundant recipes for the engineering of scaled-up production. The Li-ion intercalation pseudocapacitance electrode, made from the as-formed self-assembled T-Nb 2 O 5 @C nanowires, shows excellent charge storage and transfer capability. When assembled into a hybrid supercapacitor with a cathode of activated carbon, a high energy density of 60.6 Wh kg -1 and a high power density of 8.5 kW kg -1 with outstanding stability are achieved. In virtue of easy optimization and programmability of the synthetic strategy, and the remarkable electrochemical performance, the self-assembled T-Nb 2 O 5 @C nanowires offer a promising anode for asymmetric hybrid supercapacitors. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Reducing energy intake and energy density for a sustainable diet: a study based on self-selected diets in French adults.

PubMed

Masset, Gabriel; Vieux, Florent; Verger, Eric Olivier; Soler, Louis-Georges; Touazi, Djilali; Darmon, Nicole

2014-06-01

Studies on theoretical diets are not sufficient to implement sustainable diets in practice because of unknown cultural acceptability. In contrast, self-selected diets can be considered culturally acceptable. The objective was to identify the most sustainable diets consumed by people in everyday life. The diet-related greenhouse gas emissions (GHGE) for self-selected diets of 1918 adults participating in the cross-sectional French national dietary survey Individual and National Survey on Food Consumption (INCA2) were estimated. "Lower-Carbon," "Higher-Quality," and "More Sustainable" diets were defined as having GHGE lower than the overall median value, a probability of adequate nutrition intake (PANDiet) score (a measure of the overall nutritional adequacy of a diet) higher than the overall median value, and a combination of both criteria, respectively. Diet cost, as a proxy for affordability, and energy density were also assessed. More Sustainable diets were consumed by 23% of men and 20% of women, and their GHGE values were 19% and 17% lower than the population average (mean) value, respectively. In comparison with the average value, Lower-Carbon diets achieved a 20% GHGE reduction and lower cost, but they were not sustainable because they had a lower PANDiet score. Higher-Quality diets were not sustainable because of their above-average GHGE and cost. More Sustainable diets had an above-average PANDiet score and a below-average energy density, cost, GHGE, and energy content; the energy share of plant-based products was increased by 20% and 15% compared with the average for men and women, respectively. A strength of this study was that most of the dimensions for "sustainable diets" were considered, ie, not only nutritional quality and GHGE but also affordability and cultural acceptability. A reduction in diet-related GHGE by 20% while maintaining high nutritional quality seems realistic. This goal could be achieved at no extra cost by reducing energy intake and energy density and increasing the share of plant-based products. © 2014 American Society for Nutrition.

Silicon-Based Lithium-Ion Capacitor for High Energy and High Power Application

NASA Technical Reports Server (NTRS)

Wu, James J.; Demattia, Brianne; Loyselle, Patricia; Reid, Concha; Kohout, Lisa

2017-01-01

Si-based Li-ion capacitor has been developed and demonstrated. The results show it is feasible to improve both power density and energy density in this configuration. The applied current density impacts the power and energy density: low current favors energy density while high current favors power density. Active carbon has a better rate capability than Si. Next StepsFuture Directions. Si electrode needs to be further studied and improved. Further optimization of SiAC ratio and evaluation of its impact on energy density and power density.

Flow field design and optimization based on the mass transport polarization regulation in a flow-through type vanadium flow battery

NASA Astrophysics Data System (ADS)

Zheng, Qiong; Xing, Feng; Li, Xianfeng; Ning, Guiling; Zhang, Huamin

2016-08-01

Vanadium flow battery holds great promise for use in large scale energy storage applications. However, the power density is relatively low, leading to significant increase in the system cost. Apart from the kinetic and electronic conductivity improvement, the mass transport enhancement is also necessary to further increase the power density and reduce the system cost. To better understand the mass transport limitations, in the research, the space-varying and time-varying characteristic of the mass transport polarization is investigated based on the analysis of the flow velocity and reactant concentration in the bulk electrolyte by modeling. The result demonstrates that the varying characteristic of mass transport polarization is more obvious at high SoC or high current densities. To soften the adverse impact of the mass transport polarization, a new rectangular plug flow battery with a plug flow and short flow path is designed and optimized based on the mass transport polarization regulation (reducing the mass transport polarization and improving its uniformity of distribution). The regulation strategy of mass transport polarization is practical for the performance improvement in VFBs, especially for high power density VFBs. The findings in the research are also applicable for other flow batteries and instructive for practical use.

Effects of thermal treatment on energy density and hardness of torrefied wood pellets

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

Peng, Jianghong; Wang, Jingsong; Bi, Xiaotao T.

Here, three types of wood pellets samples, including two types of commercial pellets and one type of lab-made control pellets were torrefied in a fixed bed unit to study the effect of thermal pretreatment on the quality of wood pellets. The quality of wood pellets was mainly characterized by the pellet density, bulk density, higher heating value, Meyer hardness, saturated moisture uptake, volumetric energy density, and energy yield. Results showed that torrefaction significantly decreased the pellet density, hardness, volumetric energy density, and energy yield. The higher heating value increased and the saturated moisture content decreased after torrefaction. In view ofmore » the lower density, lower hardness, lower volumetric energy density, and energy yield of torrefied pellets, it is recommended that biomass should be torrefied and then compressed to make strong pellets of high hydrophobicity and volumetric energy density.« less

Effects of thermal treatment on energy density and hardness of torrefied wood pellets

DOE PAGES

Peng, Jianghong; Wang, Jingsong; Bi, Xiaotao T.; ...

2014-09-27

Here, three types of wood pellets samples, including two types of commercial pellets and one type of lab-made control pellets were torrefied in a fixed bed unit to study the effect of thermal pretreatment on the quality of wood pellets. The quality of wood pellets was mainly characterized by the pellet density, bulk density, higher heating value, Meyer hardness, saturated moisture uptake, volumetric energy density, and energy yield. Results showed that torrefaction significantly decreased the pellet density, hardness, volumetric energy density, and energy yield. The higher heating value increased and the saturated moisture content decreased after torrefaction. In view ofmore » the lower density, lower hardness, lower volumetric energy density, and energy yield of torrefied pellets, it is recommended that biomass should be torrefied and then compressed to make strong pellets of high hydrophobicity and volumetric energy density.« less

Considerations for Estimating Electrode Performance in Li-Ion Cells

NASA Technical Reports Server (NTRS)

Bennett, William R.

2012-01-01

Advanced electrode materials with increased specific capacity and voltage performance are critical to the development of Li-ion batteries with increased specific energy and energy density. Although performance metrics for individual electrodes are critically important, a fundamental understanding of the interactions of electrodes in a full cell is essential to achieving the desired performance, and for establishing meaningful goals for electrode performance. This paper presents practical design considerations for matching positive and negative electrodes in a viable design. Methods for predicting cell-level discharge voltage, based on laboratory data for individual electrodes, are presented and discussed.

Wrapping Aligned Carbon Nanotube Composite Sheets around Vanadium Nitride Nanowire Arrays for Asymmetric Coaxial Fiber-Shaped Supercapacitors with Ultrahigh Energy Density.

PubMed

Zhang, Qichong; Wang, Xiaona; Pan, Zhenghui; Sun, Juan; Zhao, Jingxin; Zhang, Jun; Zhang, Cuixia; Tang, Lei; Luo, Jie; Song, Bin; Zhang, Zengxing; Lu, Weibang; Li, Qingwen; Zhang, Yuegang; Yao, Yagang

2017-04-12

The emergence of fiber-shaped supercapacitors (FSSs) has led to a revolution in portable and wearable electronic devices. However, obtaining high energy density FSSs for practical applications is still a key challenge. This article exhibits a facile and effective approach to directly grow well-aligned three-dimensional vanadium nitride (VN) nanowire arrays (NWAs) on carbon nanotube (CNT) fiber with an ultrahigh specific capacitance of 715 mF/cm 2 in a three-electrode system. Benefiting from their intriguing structural features, we successfully fabricated a prototype asymmetric coaxial FSS (ACFSS) with a maximum operating voltage of 1.8 V. From core to shell, this ACFSS consists of a CNT fiber core coated with VN@C NWAs as the negative electrode, Na 2 SO 4 poly(vinyl alcohol) (PVA) as the solid electrolyte, and MnO 2 /conducting polymer/CNT sheets as the positive electrode. The novel coaxial architecture not only fully enables utilization of the effective surface area and decreases the contact resistance between the two electrodes but also, more importantly, provides a short pathway for the ultrafast transport of axial electrons and ions. The electrochemical results show that the optimized ACFSS exhibits a remarkable specific capacitance of 213.5 mF/cm 2 and an exceptional energy density of 96.07 μWh/cm 2 , the highest areal capacitance and areal energy density yet reported in FSSs. Furthermore, the device possesses excellent flexibility in that its capacitance retention reaches 96.8% after bending 5000 times, which further allows it to be woven into flexible electronic clothes with conventional weaving techniques. Therefore, the asymmetric coaxial architectural design allows new opportunities to fabricate high-performance flexible FSSs for future portable and wearable electronic devices.

Experiment study of bio-tissue's temperature irradiated by laser based on optical fiber F-P sensor

NASA Astrophysics Data System (ADS)

Shan, Ning; Liu, Xia

2014-08-01

Laser has several advantages, such as strong anti-interference ability, quick speed, high power, agility and precision. It is widely applied in military and medicine fields. When laser acts on human body, biological tissue of human body will appear the phenomenon of ablation and carbonization and solidification. In order to effectively defend excess damage by laser, the thermal effect research of skin tissue should be carried out. Temperature is a key parameter in the processing between laser and bio-tissue. It is the mostly foundation using analyze size of thermal damage area and forecast thermal damage degree. In this paper, the low fineness optical fiber F-P sensing system for temperature measurement is designed and established. The real-time measurement system of temperature generated by laser irradiating bio-tissue is build based on the sensing system. The temperature distributing generated by laser in the bio-tissue is studied through experiment when the spot diameter of emission laser is difference with the same energy density and the energy density is difference with the same spot diameter of emission laser. The experimental results show that the sensing system can be used to the real-time temperature measurement of bio-tissue efficiency. It has small bulk. Its outer diameter is 250μm. And the hurt for bio-tissue is small. It has high respond speed. The respond time of temperature is less than 1s. These can be satisfied with practice demand. When the energy density of laser is same, the temperature rising in the same location is low along the spot diameter of emission laser increasing. When the spot diameter of emission laser is same, the temperature rising in the same location is increasing along with the energy density of laser increasing.

Sci-Sat AM: Radiation Dosimetry and Practical Therapy Solutions - 04: On 3D Fabrication of Phantoms and Experimental Verification of Patient Dose Computation Algorithms

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

Khan, Rao; Zavan, Rodolfo; McGeachy, Philip

2016-08-15

Purpose: Transport based dose calculation algorithm Acuros XB (AXB) has been shown to accurately account for heterogeneities mostly through comparisons with Monte Carlo simulations. This study aims at providing additional experimental verification for AXB for flattened and unflattened clinical energies in low density phantoms of the same material. Materials and Methods: Polystyrene slabs were created using a bench-top 3D printer. Six slabs were printed at varying densities from 0.23 g/cm{sup 3} to 0.68 g/cm{sup 3}, corresponding to different density humanoid tissues. The slabs were used to form different single and multilayer geometries. Dose was calculated with AXB 11.0.31 for 6MV,more » 15MV flattened and 6FFF (flattening filter free) energies for field sizes of 2×2 cm{sup 2} and 5×5 cm{sup 2}. The phantoms containing radiochromic EBT3 films were irradiated. Absolute dose profiles and 2D gamma analyses were performed for 96 dose planes. Results: For all single slab, multislab configurations and energies, absolute dose differences between the AXB calculation and film measurements remained <3% for both fields, with slightly poor disagreement in penumbra. The gamma index at 2% / 2mm averaged 98% in all combinations of fields, phantoms and photon energies. Conclusions: The transport based dose algorithm AXB is in good agreement with the experimental measurements for small field sizes using 6MV, 6FFF and 15MV beams adjacent to low density heterogeneous media. This work provides sufficient experimental ground to support the use of AXB for heterogeneous dose calculation purposes.« less

Phantom-less bone mineral density (BMD) measurement using dual energy computed tomography-based 3-material decomposition

NASA Astrophysics Data System (ADS)

Hofmann, Philipp; Sedlmair, Martin; Krauss, Bernhard; Wichmann, Julian L.; Bauer, Ralf W.; Flohr, Thomas G.; Mahnken, Andreas H.

2016-03-01

Osteoporosis is a degenerative bone disease usually diagnosed at the manifestation of fragility fractures, which severely endanger the health of especially the elderly. To ensure timely therapeutic countermeasures, noninvasive and widely applicable diagnostic methods are required. Currently the primary quantifiable indicator for bone stability, bone mineral density (BMD), is obtained either by DEXA (Dual-energy X-ray absorptiometry) or qCT (quantitative CT). Both have respective advantages and disadvantages, with DEXA being considered as gold standard. For timely diagnosis of osteoporosis, another CT-based method is presented. A Dual Energy CT reconstruction workflow is being developed to evaluate BMD by evaluating lumbar spine (L1-L4) DE-CT images. The workflow is ROI-based and automated for practical use. A dual energy 3-material decomposition algorithm is used to differentiate bone from soft tissue and fat attenuation. The algorithm uses material attenuation coefficients on different beam energy levels. The bone fraction of the three different tissues is used to calculate the amount of hydroxylapatite in the trabecular bone of the corpus vertebrae inside a predefined ROI. Calibrations have been performed to obtain volumetric bone mineral density (vBMD) without having to add a calibration phantom or to use special scan protocols or hardware. Accuracy and precision are dependent on image noise and comparable to qCT images. Clinical indications are in accordance with the DEXA gold standard. The decomposition-based workflow shows bone degradation effects normally not visible on standard CT images which would induce errors in normal qCT results.

Ensemble density variational methods with self- and ghost-interaction-corrected functionals

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

Pastorczak, Ewa; Pernal, Katarzyna, E-mail: pernalk@gmail.com

2014-05-14

Ensemble density functional theory (DFT) offers a way of predicting excited-states energies of atomic and molecular systems without referring to a density response function. Despite a significant theoretical work, practical applications of the proposed approximations have been scarce and they do not allow for a fair judgement of the potential usefulness of ensemble DFT with available functionals. In the paper, we investigate two forms of ensemble density functionals formulated within ensemble DFT framework: the Gross, Oliveira, and Kohn (GOK) functional proposed by Gross et al. [Phys. Rev. A 37, 2809 (1988)] alongside the orbital-dependent eDFT form of the functional introducedmore » by Nagy [J. Phys. B 34, 2363 (2001)] (the acronym eDFT proposed in analogy to eHF – ensemble Hartree-Fock method). Local and semi-local ground-state density functionals are employed in both approaches. Approximate ensemble density functionals contain not only spurious self-interaction but also the so-called ghost-interaction which has no counterpart in the ground-state DFT. We propose how to correct the GOK functional for both kinds of interactions in approximations that go beyond the exact-exchange functional. Numerical applications lead to a conclusion that functionals free of the ghost-interaction by construction, i.e., eDFT, yield much more reliable results than approximate self- and ghost-interaction-corrected GOK functional. Additionally, local density functional corrected for self-interaction employed in the eDFT framework yields excitations energies of the accuracy comparable to that of the uncorrected semi-local eDFT functional.« less

Are energy-dense foods really cheaper? Reexamining the relation between food price and energy density.

PubMed

Lipsky, Leah M

2009-11-01

The inverse relation between energy density (kcal/g) and energy cost (price/kcal) has been interpreted to suggest that produce (fruit, vegetables) is more expensive than snacks (cookies, chips). The objective of this study was to show the methodologic weakness of comparing energy density with energy cost. The relation between energy density and energy cost was replicated in a random-number data set. Additionally, observational data were collected for produce and snacks from an online supermarket. Variables included total energy (kcal), total weight (g), total number of servings, serving size (g/serving), and energy density (kcal/g). Price measures included energy cost ($/kcal), total price ($), unit price ($/g), and serving price ($/serving). Two-tailed t tests were used to compare price measures by food category. Relations between energy density and price measures within food categories were examined with the use of Spearman rank correlation analysis. The relation between energy density and energy cost was shown to be driven by the algebraic properties of these variables. Food category was strongly correlated with both energy density and food price measures. Energy cost was higher for produce than for snacks. However, total price and unit price were lower for produce. Serving price and serving size were greater for produce than for snacks. Within food categories, energy density was uncorrelated with most measures of food price, except for a weak positive correlation with serving price within the produce category. The findings suggest the relation between energy density and food price is confounded by food category and depends on which measure of price is used.

Directing the Lithium-Sulfur Reaction Pathway via Sparingly Solvating Electrolytes for High Energy Density Batteries.

PubMed

Lee, Chang-Wook; Pang, Quan; Ha, Seungbum; Cheng, Lei; Han, Sang-Don; Zavadil, Kevin R; Gallagher, Kevin G; Nazar, Linda F; Balasubramanian, Mahalingam

2017-06-28

The lithium-sulfur battery has long been seen as a potential next generation battery chemistry for electric vehicles owing to the high theoretical specific energy and low cost of sulfur. However, even state-of-the-art lithium-sulfur batteries suffer from short lifetimes due to the migration of highly soluble polysulfide intermediates and exhibit less than desired energy density due to the required excess electrolyte. The use of sparingly solvating electrolytes in lithium-sulfur batteries is a promising approach to decouple electrolyte quantity from reaction mechanism, thus creating a pathway toward high energy density that deviates from the current catholyte approach. Herein, we demonstrate that sparingly solvating electrolytes based on compact, polar molecules with a 2:1 ratio of a functional group to lithium salt can fundamentally redirect the lithium-sulfur reaction pathway by inhibiting the traditional mechanism that is based on fully solvated intermediates. In contrast to the standard catholyte sulfur electrochemistry, sparingly solvating electrolytes promote intermediate- and short-chain polysulfide formation during the first third of discharge, before disproportionation results in crystalline lithium sulfide and a restricted fraction of soluble polysulfides which are further reduced during the remaining discharge. Moreover, operation at intermediate temperatures ca. 50 °C allows for minimal overpotentials and high utilization of sulfur at practical rates. This discovery opens the door to a new wave of scientific inquiry based on modifying the electrolyte local structure to tune and control the reaction pathway of many precipitation-dissolution chemistries, lithium-sulfur and beyond.

Highly robust thin-film composite pressure retarded osmosis (PRO) hollow fiber membranes with high power densities for renewable salinity-gradient energy generation.

PubMed

Han, Gang; Wang, Peng; Chung, Tai-Shung

2013-07-16

The practical application of pressure retarded osmosis (PRO) technology for renewable blue energy (i.e., osmotic power generation) from salinity gradient is being hindered by the absence of effective membranes. Compared to flat-sheet membranes, membranes with a hollow fiber configuration are of great interest due to their high packing density and spacer-free module fabrication. However, the development of PRO hollow fiber membranes is still in its infancy. This study aims to open up new perspectives and design strategies to molecularly construct highly robust thin film composite (TFC) PRO hollow fiber membranes with high power densities. The newly developed TFC PRO membranes consist of a selective polyamide skin formed on the lumen side of well-constructed Matrimid hollow fiber supports via interfacial polymerization. For the first time, laboratory PRO power generation tests demonstrate that the newly developed PRO hollow fiber membranes can withstand trans-membrane pressures up to 16 bar and exhibit a peak power density as high as 14 W/m(2) using seawater brine (1.0 M NaCl) as the draw solution and deionized water as the feed. We believe that the developed TFC PRO hollow fiber membranes have great potential for osmotic power harvesting.

Three-Dimensional Bi-Continuous Nanoporous Gold/Nickel Foam Supported MnO2 for High Performance Supercapacitors.

PubMed

Zhao, Jie; Zou, Xilai; Sun, Peng; Cui, Guofeng

2017-12-19

A three-dimensional bi-continuous nanoporous gold (NPG)/nickel foam is developed though the electrodeposition of a gold-tin alloy on Ni foam and subsequent chemical dealloying of tin. The newly-designed 3D metal structure is used to anchor MnO 2 nanosheets for high-performance supercapacitors. The formed ternary composite electrodes exhibit significantly-enhanced capacitance performance, rate capability, and excellent cycling stability. A specific capacitance of 442 Fg -1 is achieved at a scan rate of 5 mV s -1 and a relatively high mass loading of 865 μg cm -2 . After 2500 cycles, only a 1% decay is found at a scan rate of 50 mV s -1 . A high power density of 3513 W kg -1 and an energy density of 25.73 Wh kg -1 are realized for potential energy storage devices. The results demonstrate that the NPG/nickel foam hybrid structure significantly improves the dispersibility of MnO 2 and makes it promising for practical energy storage applications.

Control of plasma properties in a short direct-current glow discharge with active boundaries

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

Adams, S. F.; Demidov, V. I., E-mail: vladimir.demidov@mail.wvu.edu; West Virginia University, Morgantown, West Virginia 26506

2016-02-15

To demonstrate controlling electron/metastable density ratio and electron temperature by applying negative voltages to the active (conducting) discharge wall in a low-pressure plasma with nonlocal electron energy distribution function, modeling has been performed in a short (lacking the positive-column region) direct-current glow discharge with a cold cathode. The applied negative voltage can modify the trapping of the low-energy part of the energetic electrons that are emitted from the cathode sheath and that arise from the atomic and molecular processes in the plasma within the device volume. These electrons are responsible for heating the slow, thermal electrons, while production of slowmore » electrons (ions) and metastable atoms is mostly due to the energetic electrons with higher energies. Increasing electron temperature results in increasing decay rate of slow, thermal electrons (ions), while decay rate of metastable atoms and production rates of slow electrons (ions) and metastable atoms practically are unchanged. The result is in the variation of electron/metastable density ratio and electron temperature with the variation of the wall negative voltage.« less

Sensitivity analysis of a coupled hydrodynamic-vegetation model using the effectively subsampled quadratures method

USGS Publications Warehouse

Kalra, Tarandeep S.; Aretxabaleta, Alfredo; Seshadri, Pranay; Ganju, Neil K.; Beudin, Alexis

2017-01-01

Coastal hydrodynamics can be greatly affected by the presence of submerged aquatic vegetation. The effect of vegetation has been incorporated into the Coupled-Ocean-Atmosphere-Wave-Sediment Transport (COAWST) Modeling System. The vegetation implementation includes the plant-induced three-dimensional drag, in-canopy wave-induced streaming, and the production of turbulent kinetic energy by the presence of vegetation. In this study, we evaluate the sensitivity of the flow and wave dynamics to vegetation parameters using Sobol' indices and a least squares polynomial approach referred to as Effective Quadratures method. This method reduces the number of simulations needed for evaluating Sobol' indices and provides a robust, practical, and efficient approach for the parameter sensitivity analysis. The evaluation of Sobol' indices shows that kinetic energy, turbulent kinetic energy, and water level changes are affected by plant density, height, and to a certain degree, diameter. Wave dissipation is mostly dependent on the variation in plant density. Performing sensitivity analyses for the vegetation module in COAWST provides guidance for future observational and modeling work to optimize efforts and reduce exploration of parameter space.

Toward Wearable Self-Charging Power Systems: The Integration of Energy-Harvesting and Storage Devices.

PubMed

Pu, Xiong; Hu, Weiguo; Wang, Zhong Lin

2018-01-01

One major challenge for wearable electronics is that the state-of-the-art batteries are inadequate to provide sufficient energy for long-term operations, leading to inconvenient battery replacement or frequent recharging. Other than the pursuit of high energy density of secondary batteries, an alternative approach recently drawing intensive attention from the research community, is to integrate energy-generation and energy-storage devices into self-charging power systems (SCPSs), so that the scavenged energy can be simultaneously stored for sustainable power supply. This paper reviews recent developments in SCPSs with the integration of various energy-harvesting devices (including piezoelectric nanogenerators, triboelectric nanogenerators, solar cells, and thermoelectric nanogenerators) and energy-storage devices, such as batteries and supercapacitors. SCPSs with multiple energy-harvesting devices are also included. Emphasis is placed on integrated flexible or wearable SCPSs. Remaining challenges and perspectives are also examined to suggest how to bring the appealing SCPSs into practical applications in the near future. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Liquid fuel cells.

PubMed

Soloveichik, Grigorii L

2014-01-01

The advantages of liquid fuel cells (LFCs) over conventional hydrogen-oxygen fuel cells include a higher theoretical energy density and efficiency, a more convenient handling of the streams, and enhanced safety. This review focuses on the use of different types of organic fuels as an anode material for LFCs. An overview of the current state of the art and recent trends in the development of LFC and the challenges of their practical implementation are presented.

Reducing the energy density of an entrée decreases children's energy intake at lunch.

PubMed

Leahy, Kathleen E; Birch, Leann L; Rolls, Barbara J

2008-01-01

Strategies need to be developed to reduce preschool children's energy intake. To test the effect of reducing the energy density of an entrée on children's ad libitum energy intake. Subjects were 2- to 5-year-old children (37 boys and 40 girls) in a university day-care facility. In this within-subjects crossover study, children were served a test lunch once per week for 6 weeks. Two versions of a macaroni and cheese entrée were formulated to differ in energy density while maintaining similar palatability. Each version was served to children three times. The higher-energy-density entrée had 2.0 kcal/g and the other entrée was 30% lower in energy density. Lunch, consumed ad libitum, also included broccoli, applesauce, and milk. Food intake and energy intake were measured. A mixed linear model tested effect of energy density of the entrée on food intake and energy intake. Results are reported as mean+/-standard error. Decreasing the energy density of the entrée by 30% significantly (P<0.0001) reduced children's energy intake from the entrée by 25% (72.3+/-8.3 kcal) and total lunch energy intake by 18% (71.8+/-7.9 kcal). Children consumed significantly more of the lower-energy-density entrée (10.1+/-4.2 g; P<0.05). Children's sex-specific body mass index-for-age percentiles did not affect the relationship between energy density of the entrée and children's intakes. Decreasing the energy density of a lunch entrée resulted in a reduction in children's energy intake from the entrée and from the total meal. Reducing the energy density of foods may be an effective strategy to moderate children's energy intake.

Suppressing the Coffee-Ring Effect in Semitransparent MnO2 Film for a High-Performance Solar-Powered Energy Storage Window.

PubMed

Jin, Huanyu; Qian, Jiasheng; Zhou, Limin; Yuan, Jikang; Huang, Haitao; Wang, Yu; Tang, Wing Man; Chan, Helen Lai Wa

2016-04-13

We introduce a simple and effective method to deposit a highly uniform and semitransparent MnO2 film without coffee-ring effect (CRE) by adding ethanol into MnO2 ink for transparent capacitive energy storage devices. By carefully controlling the amount of ethanol added in the MnO2 droplet, we could significantly reduce the CRE and thus improve the film uniformity. The electrochemical properties of supercapacitor (SC) devices using semitransparent MnO2 film electrodes with or without CRE were measured and compared. The SC device without CRE shows a superior capacitance, high rate capability, and lower contact resistance. The CRE-free device could achieve a considerable volumetric capacitance of 112.2 F cm(-3), resulting in a high volumetric energy density and power density of 10 mWh cm(-3) and 8.6 W cm(-3), respectively. For practical consideration, both flexible SC and large-area rigid SC devices were fabricated to demonstrate their potential for flexible transparent electronic application and capacitive energy-storage window application. Moreover, a solar-powered energy storage window which consists of a commercial solar cell and our studied semitransparent MnO2-film-based SCs was assembled. These SCs could be charged by the solar cell and light up a light emitting diode (LED), demonstrating their potential for self-powered systems and energy-efficient buildings.

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

NASA Astrophysics Data System (ADS)

Santos, Leonardo S. F.

2018-05-01

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

Technologies for decreasing the tap temperature to save energy in steel foundries

NASA Astrophysics Data System (ADS)

Biswas, Siddhartha

Steel foundries are one of the most energy intensive industries. The increasing concerns over volatile energy cost and carbon dioxide emission have pushed foundries to improve efficiency and hence decrease electrical energy consumption. Statistical analysis of industrial survey data was combined with computational fluid dynamics (CFD) modeling to investigate the best industrial practices and opportunities to improve energy efficiency. Reducing tap temperature was identified as one of the important ways of reducing energy consumption. Steel foundries typically tap at 1650-1800°C (3000-3300°F) which is 100-250°C (150-450°F) higher than the pouring temperature. The steel temperature is elevated to compensate for the temperature loss associated with tapping, holding and transporting the liquid steel from the furnace to the pouring floor. Based on experimental investigations and CFD modeling of heat losses during holding in the ladle for different foundry practices, a spreadsheet calculator has been developed to calculate the optimum tap temperature for the specific foundry practices which will eliminate unnecessary superheating. The calculated results were compared and validated with industrial measurements. Improving the lining refractory is one significant way of reducing heat losses during holding of the steel in ladle. Silica sand linings are being used in steel foundries as an inexpensive and convenient material for short holding times and small volumes. The possibilities of improvements of silica sand linings by the addition of lower density cenospheres (hollow spheres), a byproduct of coal fired power plants, was studied through property measurements and laboratory trials.

Fabricating Ir/C Nanofiber Networks as Free-Standing Air Cathodes for Rechargeable Li-CO2 Batteries.

PubMed

Wang, Chengyi; Zhang, Qinming; Zhang, Xin; Wang, Xin-Gai; Xie, Zhaojun; Zhou, Zhen

2018-06-07

Li-CO 2 batteries are promising energy storage systems by utilizing CO 2 at the same time, though there are still some critical barriers before its practical applications such as high charging overpotential and poor cycling stability. In this work, iridium/carbon nanofibers (Ir/CNFs) are prepared via electrospinning and subsequent heat treatment, and are used as cathode catalysts for rechargeable Li-CO 2 batteries. Benefitting from the unique porous network structure and the high activity of ultrasmall Ir nanoparticles, Ir/CNFs exhibit excellent CO 2 reduction and evolution activities. The Li-CO 2 batteries present extremely large discharge capacity, high coulombic efficiency, and long cycling life. Moreover, free-standing Ir/CNF films are used directly as air cathodes to assemble Li-CO 2 batteries, which show high energy density and ultralong operation time, demonstrating great potential for practical applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Carbon and Carbon Hybrid Materials as Anodes for Sodium-Ion Batteries.

PubMed

Zhong, Xiongwu; Wu, Ying; Zeng, Sifan; Yu, Yan

2018-02-12

Sodium-ion batteries (SIBs) have attracted much attention for application in large-scale grid energy storage owing to the abundance and low cost of sodium sources. However, low energy density and poor cycling life hinder practical application of SIBs. Recently, substantial efforts have been made to develop electrode materials to push forward large-scale practical applications. Carbon materials can be directly used as anode materials, and they show excellent sodium storage performance. Additionally, designing and constructing carbon hybrid materials is an effective strategy to obtain high-performance anodes for SIBs. In this review, we summarize recent research progress on carbon and carbon hybrid materials as anodes for SIBs. Nanostructural design to enhance the sodium storage performance of anode materials is discussed, and we offer some insight into the potential directions of and future high-performance anode materials for SIBs. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Breast Density Legislation in New England: A Survey Study of Practicing Radiologists.

PubMed

Lourenco, Ana P; DiFlorio-Alexander, Roberta M; Slanetz, Priscilla J

2017-10-01

This study aimed to assess radiologists' knowledge about breast density legislation as well as perceived practice changes resulting from the enactment of breast density legislation. This is an institutional review board-exempt anonymous email survey of 523 members of the New England Roentgen Ray Society. In addition to radiologist demographics, survey questions addressed radiologist knowledge of breast density legislation, knowledge of breast density as a risk factor for breast cancer, recommendations for supplemental screening, and perceived practice changes resulting from density notification legislation. Of the 523 members, 96 responded, yielding an 18% response rate. Seventy-three percent of respondents practiced in a state with breast density legislation. Sixty-nine percent felt that breast density notification increased patient anxiety about breast cancer, but also increased patient (74%) and provider (66%) understanding of the effect of breast density on mammographic sensitivity. Radiologist knowledge of the relative risk of breast cancer when comparing breasts of different density was variable. Considerable confusion and controversy regarding breast density persists, even among practicing radiologists. Copyright © 2017 The Association of University Radiologists. Published by Elsevier Inc. All rights reserved.

Electronic energy density in chemical reaction systems

NASA Astrophysics Data System (ADS)

Tachibana, Akitomo

2001-08-01

The energy of chemical reaction is visualized in real space using the electronic energy density nE(r⃗) associated with the electron density n(r⃗). The electronic energy density nE(r⃗) is decomposed into the kinetic energy density nT(r⃗), the external potential energy density nV(r⃗), and the interelectron potential energy density nW(r⃗). Using the electronic energy density nE(r⃗) we can pick up any point in a chemical reaction system and find how the electronic energy E is assigned to the selected point. We can then integrate the electronic energy density nE(r⃗) in any region R surrounding the point and find out the regional electronic energy ER to the global E. The kinetic energy density nT(r⃗) is used to identify the intrinsic shape of the reactants, the electronic transition state, and the reaction products along the course of the chemical reaction coordinate. The intrinsic shape is identified with the electronic interface S that discriminates the region RD of the electronic drop from the region RA of the electronic atmosphere in the density distribution of the electron gas. If the R spans the whole space, then the integral gives the total E. The regional electronic energy ER in thermodynamic ensemble is realized in electrochemistry as the intrinsic Volta electric potential φR and the intrinsic Herring-Nichols work function ΦR. We have picked up first a hydrogen-like atom for which we have analytical exact expressions of the relativistic kinetic energy density nTM(r⃗) and its nonrelativistic version nT(r⃗). These expressions are valid for any excited bound states as well as the ground state. Second, we have selected the following five reaction systems and show the figures of the nT(r⃗) as well as the other energy densities along the intrinsic reaction coordinates: a protonation reaction to He, addition reactions of HF to C2H4 and C2H2, hydrogen abstraction reactions of NH3+ from HF and NH3. Valence electrons possess their unique delocalized drop region remote from those heavily localized drop regions adhered to core electrons. The kinetic energy density nT(r⃗) and the tension density τ⃗S(r⃗) can vividly demonstrate the formation of the chemical bond. Various basic chemical concepts in these chemical reaction systems have been clearly visualized in real three-dimensional space.

Ultrathin MnO2 nanoflakes deposited on carbon nanotube networks for symmetrical supercapacitors with enhanced performance

NASA Astrophysics Data System (ADS)

Sun, Peng; Yi, Huan; Peng, Tianquan; Jing, Yuting; Wang, Ruijing; Wang, Huanwen; Wang, Xuefeng

2017-02-01

Manganese dioxide is a promising electrode material for electrochemical supercapacitors, but its poor electronic conductivity (10-5∼10-6 S cm-1) limits the fast charge/discharge rate for practical applications. In the present work, we use the chemical vapor deposition (CVD) method to grow highly conductive carbon nanotube (CNT) networks on flexible Ni mesh, on which MnO2 nanoflake layers are deposited by a simple solution method, forming a hierarchical core-shell structure. Under the optimized mass loading, the as-fabricated MnO2 nanoflake@CNTs/Ni mesh electrode exhibits a high specific capacitance of 1072 F g-1 at 1 A g-1 in three-electrode configuration. Due to advantageous features of these core-shell electrodes (e.g., high conductivity, direct current path, structure stability), the as-assembled symmetric supercapacitor (SSC) based on MnO2@CNTs/Ni mesh has a wide working voltage (2.0 V) in 1 M Na2SO4 aqueous electrolyte. Finally an impressive energy density of 94.4 Wh kg-1 at 1000 W kg-1 and a high power density of 30.2 kW kg-1 at 33.6 Wh kg-1 have been achieved for the as-assembled SSC, which exhibits a great potential as a low-cost, high energy density and attractive wearable energy storage device.

Optical-model potential for electron and positron elastic scattering by atoms

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

Salvat, Francesc

2003-07-01

An optical-model potential for systematic calculations of elastic scattering of electrons and positrons by atoms and positive ions is proposed. The electrostatic interaction is determined from the Dirac-Hartree-Fock self-consistent atomic electron density. In the case of electron projectiles, the exchange interaction is described by means of the local-approximation of Furness and McCarthy. The correlation-polarization potential is obtained by combining the correlation potential derived from the local density approximation with a long-range polarization interaction, which is represented by means of a Buckingham potential with an empirical energy-dependent cutoff parameter. The absorption potential is obtained from the local-density approximation, using the Born-Ochkurmore » approximation and the Lindhard dielectric function to describe the binary collisions with a free-electron gas. The strength of the absorption potential is adjusted by means of an empirical parameter, which has been determined by fitting available absolute elastic differential cross-section data for noble gases and mercury. The Dirac partial-wave analysis with this optical-model potential provides a realistic description of elastic scattering of electrons and positrons with energies in the range from {approx}100 eV up to {approx}5 keV. At higher energies, correlation-polarization and absorption corrections are small and the usual static-exchange approximation is sufficiently accurate for most practical purposes.« less

Influence of stocking density on growth, body composition and energy budget of Atlantic salmon Salmo salar L. in recirculating aquaculture systems

NASA Astrophysics Data System (ADS)

Liu, Baoliang; Liu, Ying; Liu, Ziyi; Qiu, Denggao; Sun, Guoxiang; Li, Xian

2014-09-01

Atlantic salmon Salmo salar were reared at four stocking densities—high density D 1 (final density ˜39 kg/m3), medium densities D 2 (˜29 kg/m3) and D 3 (˜19 kg/m3), and low density D 4 (˜12 kg/m3)—for 40 days to investigate the effect of stocking density on their growth performance, body composition and energy budgets. Stocking density did not significantly affect specific growth rate in terms of weight (SGRw) but did affect specific growth rate in terms of energy (SGRe). Stocking density significantly influenced the ration level (RLw and RLe), feed conversion ratio (FCRw and FCRe) and apparent digestibility rate (ADR). Ration level and FCRw tended to increase with increasing density. Fish at the highest density D 1 and lowest density D 4 showed lower FCRe and higher ADR than at medium densities. Stocking density significantly affected protein and energy contents of the body but did not affect its moisture, lipid, or ash contents. The expenditure of energy for metabolism in the low-density and high-density groups was lower than that in the medium-density groups. Stocking density affected energy utilization from the feces but had no effect on excretion rate. The greater energy allocation to growth at high density and low density may be attributed to reduced metabolic rate and increased apparent digestibility rate. These findings provide information that will assist selection of suitable stocking densities in the Atlantic-salmon-farming industry.

Metal–Air Batteries: Will They Be the Future Electrochemical Energy Storage Device of Choice? [Metal-Air Batteries: Future Electrochemical Energy Storage of Choice?

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

Li, Yanguang; Lu, Jun

Metal-air batteries have much higher theoretical energy density than lithium-ion batteries, and are frequently advocated as the solution toward next-generation electrochemical energy storage for applications including electric vehicles or grid energy storage. Yet they have not fulfilled their full potentials as limited by challenges associated with the metal anode, air cathode and electrolyte. These challenges would have to be properly resolved before metal-air batteries can become a practical reality and be deployed on a large scale. Here we survey the current status and latest advances in metal-air battery research for both aqueous (e.g. Zn-air) and non-aqueous (e.g. Li-air) systems. Themore » general technical issues confronting their developments are overviewed, and our perspective on possible solutions is offered.« less

Metal–Air Batteries: Will They Be the Future Electrochemical Energy Storage Device of Choice? [Metal-Air Batteries: Future Electrochemical Energy Storage of Choice?

DOE PAGES

Li, Yanguang; Lu, Jun

2017-05-05

Metal-air batteries have much higher theoretical energy density than lithium-ion batteries, and are frequently advocated as the solution toward next-generation electrochemical energy storage for applications including electric vehicles or grid energy storage. Yet they have not fulfilled their full potentials as limited by challenges associated with the metal anode, air cathode and electrolyte. These challenges would have to be properly resolved before metal-air batteries can become a practical reality and be deployed on a large scale. Here we survey the current status and latest advances in metal-air battery research for both aqueous (e.g. Zn-air) and non-aqueous (e.g. Li-air) systems. Themore » general technical issues confronting their developments are overviewed, and our perspective on possible solutions is offered.« less

Design and analysis of a MEMS-based bifurcate-shape piezoelectric energy harvester

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

Luo, Yuan; Gan, Ruyi, E-mail: 2471390146@qq.com; Wan, Shalang

This paper presents a novel piezoelectric energy harvester, which is a MEMS-based device. This piezoelectric energy harvester uses a bifurcate-shape. The derivation of the mathematical modeling is based on the Euler-Bernoulli beam theory, and the main mechanical and electrical parameters of this energy harvester are analyzed and simulated. The experiment result shows that the maximum output voltage can achieve 3.3 V under an acceleration of 1 g at 292.11 Hz of frequency, and the output power can be up to 0.155 mW under the load of 0.4 MΩ. The power density is calculated as 496.79 μWmm{sup −3}. Besides that, itmore » is demonstrated efficiently at output power and voltage and adaptively in practical vibration circumstance. This energy harvester could be used for low-power electronic devices.« less

Cadmium sulfide anchored in three-dimensional graphite cage for high performance supercapacitors

NASA Astrophysics Data System (ADS)

Chen, Liang; Zuo, Yinze; Zhang, Yu; Gao, Yanmin

2018-05-01

Cadmium sulfide (CdS) nanoparticles were anchored in a three-dimensional (3D) graphite cage for high performance supercapacitors. Significantly, the graphite cage intensified the construction of electroactive materials and facilitated the transfer of ions. As a result, the 3D-CdS/graphite cage revealed a great thermal stability and high specific capacitance (511 F/g at 5 A/g). Additionally, the 3D-CdS/graphite//reduced graphene oxide (rGO) asymmetric supercapacitor revealed a high energy density (30.4 Wh/kg at a power density of 800 W/kg) and long-term cycling stability (90.1% retention after 5000 cycles at 10 A/g) for practical applications.

A hybrid electrochemical device based on a synergetic inner combination of Li ion battery and Li ion capacitor for energy storage.

PubMed

Zheng, Jun-Sheng; Zhang, Lei; Shellikeri, Annadanesh; Cao, Wanjun; Wu, Qiang; Zheng, Jim P

2017-02-07

Li ion battery (LIB) and electrochemical capacitor (EC) are considered as the most widely used energy storage systems (ESSs) because they can produce a high energy density or a high power density, but it is a huge challenge to achieve both the demands of a high energy density as well as a high power density on their own. A new hybrid Li ion capacitor (HyLIC), which combines the advantages of LIB and Li ion capacitor (LIC), is proposed. This device can successfully realize a potential match between LIB and LIC and can avoid the excessive depletion of electrolyte during the charge process. The galvanostatic charge-discharge cycling tests reveal that at low current, the HyLIC exhibits a high energy density, while at high current, it demonstrates a high power density. Ragone plot confirms that this device can make a synergetic balance between energy and power and achieve a highest energy density in the power density range of 80 to 300 W kg -1 . The cycle life test proves that HyLIC exhibits a good cycle life and an excellent coulombic efficiency. The present study shows that HyLIC, which is capable of achieving a high energy density, a long cycle life and an excellent power density, has the potential to achieve the winning combination of a high energy and power density.

A hybrid electrochemical device based on a synergetic inner combination of Li ion battery and Li ion capacitor for energy storage

PubMed Central

Zheng, Jun-Sheng; Zhang, Lei; Shellikeri, Annadanesh; Cao, Wanjun; Wu, Qiang; Zheng, Jim P.

2017-01-01

Li ion battery (LIB) and electrochemical capacitor (EC) are considered as the most widely used energy storage systems (ESSs) because they can produce a high energy density or a high power density, but it is a huge challenge to achieve both the demands of a high energy density as well as a high power density on their own. A new hybrid Li ion capacitor (HyLIC), which combines the advantages of LIB and Li ion capacitor (LIC), is proposed. This device can successfully realize a potential match between LIB and LIC and can avoid the excessive depletion of electrolyte during the charge process. The galvanostatic charge-discharge cycling tests reveal that at low current, the HyLIC exhibits a high energy density, while at high current, it demonstrates a high power density. Ragone plot confirms that this device can make a synergetic balance between energy and power and achieve a highest energy density in the power density range of 80 to 300 W kg−1. The cycle life test proves that HyLIC exhibits a good cycle life and an excellent coulombic efficiency. The present study shows that HyLIC, which is capable of achieving a high energy density, a long cycle life and an excellent power density, has the potential to achieve the winning combination of a high energy and power density. PMID:28169329

Electric Car

NASA Technical Reports Server (NTRS)

1977-01-01

NASA's Lewis Research Center undertook research toward a practical, economical battery with higher energy density. Borrowing from space satellite battery technology, Lewis came up with a nickel-zinc battery that promises longer life and twice the range of the lead-acid counterpart. Lewis researchers fabricated a prototype battery and installed it in an Otis P-500 electric utility van, using only the battery space already available and allowing battery weight equal to that of the va's conventional lead-acid battery

Liquid fuel cells

PubMed Central

2014-01-01

Summary The advantages of liquid fuel cells (LFCs) over conventional hydrogen–oxygen fuel cells include a higher theoretical energy density and efficiency, a more convenient handling of the streams, and enhanced safety. This review focuses on the use of different types of organic fuels as an anode material for LFCs. An overview of the current state of the art and recent trends in the development of LFC and the challenges of their practical implementation are presented. PMID:25247123

Sea urchin-likeNiCoO2@C nanocompositesforLi-ionbatteries and supercapacitors

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

Liang, Jin; Xi, Kai; Tan, Guoqiang

The rational construction of battery electrode architecture that offers both high energy and power densities on a gravimetric and volumetric basis is a critical concern but achieving this aim is beset by many fundamental and practical challenges. Here we report a new sea urchin-like NiCoO2@C composite electrode architecture composed of NiCoO2 nanosheets grown on hollow concave carbon disks. Such a unique structural design not only preserves all the advantages of hollow structures but also increases the packing density of the active materials. NiCoO2 nanosheets grown on carbon disks promote a high utilization of active materials in redox reactions by reducingmore » the path length for Li+ ions and for electron transfer. Meanwhile, the hollow concave carbon not only reduces the volume change, but also improves the volumetric energy density of the entire composite electrode. As a result, the nanocomposites exhibit superior electrochemical performance measured in terms of high capacity/capacitance, stable cycling performance and good rate capability in both Li-ion battery and supercapacitor applications. Such nanostructured composite electrode may also have great potential for application in other electrochemical devices.« less

Influence of Laser Radiation Power Density on the Intensity of Spectral Lines for Main Components in a Clay Laser-Induced Plasma

NASA Astrophysics Data System (ADS)

Anufrik, S. S.; Kurian, N. N.; Znosko, K. F.; Belkov, M. V.

2018-05-01

We have studied the intensity of the spectral lines for the main components in clay: Al I 309.4 nm, Al II 358.7 nm, Mg II 279.6 nm, Ti II 323.6 nm vs. the position of the object relative to the focus of the optical system when the samples are exposed to single laser pulses from a YAG:Nd3+ laser. We have determined the permissible ranges for positioning the object relative to the focus of the optical system (positive and negative defocusing) for which there is practically no change in the reproducibility of the intensity for the spectral lines for red and white clay samples. We show that the position of the object relative to the focus of the optical system should be within the range ΔZ ±1.5 mm for optimal laser pulse energies for the analyte spectral lines. We have calculated the radiation flux density for different laser pulse energies and different distances from the focus to the object. We have shown experimentally that reducing the radiation flux density leads to a decrease in the intensity of the analyte spectral lines.

Understanding the Relativistic Generalization of Density Functional Theory (DFT) and Completing it in Practice

NASA Astrophysics Data System (ADS)

Bagayoko, Diola

In 2014, 50 years following the introduction of density functional theory (DFT), a rigorous understanding of it was published [AIP Advances, 4, 127104 (2014)]. This understanding included necessary steps ab initio electronic structure calculations have to take if their results are to possess the full physical content of DFT. These steps guarantee the fulfillment of conditions of validity of DFT; not surprisingly, they have led to accurate descriptions of several dozens of semiconductors, from first principle, without invoking derivative discontinuity or self-interaction correction. This presentation shows the mathematically and physically rigorous understanding of the relativistic extension of DFT by Rajagopal and Callaway {Phys. Rev. B 7, 1912 (1973)]. As in the non-relativistic case, the attainment of the absolute minima of the occupied energies is a necessary condition for the corresponding current density to be that of the ground state of the system and for computational results to agree with corresponding, experimental ones. Acknowledgments:This work was funded in part by the US National Science Foundation [NSF, Award Nos. EPS-1003897, NSF (2010-2015)-RII-SUBR, and HRD-1002541], the US Department of Energy, National Nuclear Security Administration (NNSA, Award No. DE-NA0002630), LaSPACE, and LONI-SUBR.

Flexible Aqueous Lithium-Ion Battery with High Safety and Large Volumetric Energy Density.

PubMed

Dong, Xiaoli; Chen, Long; Su, Xiuli; Wang, Yonggang; Xia, Yongyao

2016-06-20

A flexible and wearable aqueous lithium-ion battery is introduced based on spinel Li1.1 Mn2 O4 cathode and a carbon-coated NASICON-type LiTi2 (PO4 )3 anode (NASICON=sodium-ion super ionic conductor). Energy densities of 63 Wh kg(-1) or 124 mWh cm(-3) and power densities of 3 275 W kg(-1) or 11.1 W cm(-3) can be obtained, which are seven times larger than the largest reported till now. The full cell can keep its capacity without significant loss under different bending states, which shows excellent flexibility. Furthermore, two such flexible cells in series with an operation voltage of 4 V can be compatible with current nonaqueous Li-ion batteries. Therefore, such a flexible cell can potentially be put into practical applications for wearable electronics. In addition, a self-chargeable unit is realized by integrating a single flexible aqueous Li-ion battery with a commercial flexible solar cell, which may facilitate the long-time outdoor operation of flexible and wearable electronic devices. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Organisation of Dietary Control for Nutrition-Training Intervention Involving Periodized Carbohydrate (CHO) Availability and Ketogenic Low CHO High Fat (LCHF) Diet.

PubMed

Mirtschin, Joanne G; Forbes, Sara F; Cato, Louise E; Heikura, Ida A; Strobel, Nicki; Hall, Rebecca; Burke, Louise M

2018-02-12

We describe the implementation of a 3-week dietary intervention in elite race walkers at the Australian Institute of Sport, with a focus on the resources and strategies needed to accomplish a complex study of this scale. Interventions involved: traditional guidelines of high carbohydrate (CHO) availability for all training sessions (HCHO); a periodized CHO diet which integrated sessions with low CHO and high CHO availability within the same total CHO intake, and a ketogenic low-CHO high-fat diet (LCHF). 7-day menus and recipes were constructed for a communal eating setting to meet nutritional goals as well as individualized food preferences and special needs. Menus also included nutrition support pre, during and post-exercise. Daily monitoring, via observation and food checklists, showed that energy and macronutrient targets were achieved: diets were matched for energy (~14.8 MJ/d) and protein (~2.1 g.kg/d), and achieved desired differences for fat and CHO: HCHO and PCHO: CHO = 8.5 g/kg/d, 60% energy; fat = 20% of energy; LCHF: 0.5 g/kg/d CHO, fat = 78% energy. There were no differences in micronutrient intakes or density between HCHO and PCHO diets; however, the micronutrient density of LCHF was significantly lower. Daily food costs per athlete were similar for each diet (~AUDS$27 ± 10). Successful implementation and monitoring of dietary interventions in sports nutrition research of the scale of the present study require meticulous planning and the expertise of chefs and sports dietitians. Different approaches to sports nutrition support raise practical challenges around cost, micronutrient density, accommodation of special needs and sustainability.

Behavior of Lithium Metal Anodes under Various Capacity Utilization and High Current Density in Lithium Metal Batteries

DOE PAGES

Jiao, Shuhong; Zheng, Jianming; Li, Qiuyan; ...

2017-11-06

We report that lithium (Li) metal batteries (LMBs) have recently attracted extensive interest in the energy-storage field after silence from the public view for several decades. However, many challenges still need to be overcome before their practical application, especially those that are related to the interfacial instability of Li metal anodes. Here, we reveal for the first time that the thickness of the degradation layer on the metallic Li anode surface shows a linear relationship with Li areal capacity utilization up to 4.0 mAh cm -2 in a practical LMB system. The increase in Li capacity utilization in each cyclemore » causes variations in the morphology and composition of the degradation layer on the Li anode. Under high Li capacity utilization, the current density for charge (i.e., Li deposition) is identified to be a key factor controlling the corrosion of the Li metal anode. Lastly, these fundamental findings provide new perspectives for the development of rechargeable LMBs.« less

Behavior of Lithium Metal Anodes under Various Capacity Utilization and High Current Density in Lithium Metal Batteries

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

Jiao, Shuhong; Zheng, Jianming; Li, Qiuyan

We report that lithium (Li) metal batteries (LMBs) have recently attracted extensive interest in the energy-storage field after silence from the public view for several decades. However, many challenges still need to be overcome before their practical application, especially those that are related to the interfacial instability of Li metal anodes. Here, we reveal for the first time that the thickness of the degradation layer on the metallic Li anode surface shows a linear relationship with Li areal capacity utilization up to 4.0 mAh cm -2 in a practical LMB system. The increase in Li capacity utilization in each cyclemore » causes variations in the morphology and composition of the degradation layer on the Li anode. Under high Li capacity utilization, the current density for charge (i.e., Li deposition) is identified to be a key factor controlling the corrosion of the Li metal anode. Lastly, these fundamental findings provide new perspectives for the development of rechargeable LMBs.« less

Dietary energy source and density modulate the expression of immunologic stress in chicks.

PubMed

Benson, B N; Calvert, C C; Roura, E; Klasing, K C

1993-10-01

To determine how dietary energy level and source influence feed intake, growth and energy partitioning drug immunologic stress, growing chicks were fed diets based on cornstarch and casein with varying energy densities and injected every other day for 6 d with either saline (control), Salmonella typhimurium lipopolysaccharide or heat-killed Staphylococcus aureus. Salmonella typhimurium lipopolysaccharide decreased growth and feed consumption at low energy densities. When the dietary energy density was increased above 13.4 kJ/g using cornstarch, but not corn oil, the growth depressing effect of immunogens was eliminated. Immunologically stressed chicks had a greater proportion of gain in visceral organs and less in the carcass, regardless of the nutrient density of the diet. Immunologic stress decreased intake of metabolizable energy of chicks fed a diet with low nutrient density and increased it for those fed a diet with high nutrient density. Chicks injected with S. typhimurium lipopolysaccharide lost more energy as heat than controls when differences in metabolizable energy intakes were accounted for and modified their preference between two diets differing in metabolizable energy density and fat content as a result of the challenge. Control chicks selected between the 11.7 and 14.2 kJ/g diets to obtain an energy density of 13.2 kJ/g compared with 12.5 kJ/g in the S. typhimurium lipopolysaccharide-challenged chicks. The S. typhimurium lipopolysaccharide-challenged chicks consumed similar amounts of the low energy diet but decreased intake of the high energy diet.

Generation of Low-Energy High-Current Electron Beams in Plasma-Anode Electron Guns

NASA Astrophysics Data System (ADS)

Ozur, G. E.; Proskurovsky, D. I.

2018-01-01

This paper is a review of studies on the generation of low-energy high-current electron beams in electron guns with a plasma anode and an explosive-emission cathode. The problems related to the initiation of explosive electron emission under plasma and the formation and transport of high-current electron beams in plasma-filled systems are discussed consecutively. Considerable attention is given to the nonstationary effects that occur in the space charge layers of plasma. Emphasis is also placed on the problem of providing a uniform energy density distribution over the beam cross section, which is of critical importance in using electron beams of this type for surface treatment of materials. Examples of facilities based on low-energy high-current electron beam sources are presented and their applications in materials science and practice are discussed.

Ab initio thermodynamic approach to identify mixed solid sorbents for CO 2 capture technology

DOE PAGES

Duan, Yuhua

2015-10-15

Because the current technologies for capturing CO 2 are still too energy intensive, new materials must be developed that can capture CO 2 reversibly with acceptable energy costs. At a given CO 2 pressure, the turnover temperature (T t) of the reaction of an individual solid that can capture CO 2 is fixed. Such T t may be outside the operating temperature range (ΔT o) for a practical capture technology. To adjust T t to fit the practical ΔT o, in this study, three scenarios of mixing schemes are explored by combining thermodynamic database mining with first principles density functionalmore » theory and phonon lattice dynamics calculations. Our calculated results demonstrate that by mixing different types of solids, it’s possible to shift T t to the range of practical operating temperature conditions. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO 2 capture reactions by the mixed solids of interest, we were able to identify the mixing ratios of two or more solids to form new sorbent materials for which lower capture energy costs are expected at the desired pressure and temperature conditions.« less

Quantum Crystallography: Density Matrix-Density Functional Theory and the X-Ray Diffraction Experiment

NASA Astrophysics Data System (ADS)

Soirat, Arnaud J. A.

Density Matrix Theory is a Quantum Mechanical formalism in which the wavefunction is eliminated and its role taken over by reduced density matrices. The interest of this is that, it allows one, in principle, to calculate any electronic property of a physical system, without having to solve the Schrodinger equation, using only two entities much simpler than an N-body wavefunction: first and second -order reduced density matrices. In practice, though, this very promising possibility faces the tremendous theoretical problem of N-representability, which has been solved for the former, but, until now, voids any hope of theoretically determining the latter. However, it has been shown that single determinant reduced density matrices of any order may be recovered from coherent X-ray diffraction data, if one provides a proper Quantum Mechanical description of the Crystallography experiment. A deeper investigation of this method is the purpose of this work, where we, first, further study the calculation of X-ray reduced density matrices N-representable by a single Slater determinant. In this context, we independently derive necessary and sufficient conditions for the uniqueness of the method. We then show how to account for electron correlation in this model. For the first time, indeed, we derive highly accurate, yet practical, density matrices approximately N-representable by correlated-determinant wavefunctions. The interest of such a result lies in the Quantum Mechanical validity of these density matrices, their property of being entirely obtainable from X-ray coherent diffraction data, their very high accuracy conferred by this known property of the N-representing wavefunction, as well as their definition as explicit functionals of the density. All of these properties are finally used in both a theoretical and a numerical application: in the former, we show that these density matrices may be used in the context of Density Functional Theory to highly accurately determine the unknown HK functional, associated with the theorem of Hohenberg and Kohn. The latter is provided by the calculation of helium correlation energy, where we test approximating the second-order density function by the leading term of its McLaurin's series expansion.

Cosmological implications of quantum mechanics parametrization of dark energy

NASA Astrophysics Data System (ADS)

Szydłowski, Marek; Stachowski, Aleksander; Urbanowski, Krzysztof

2017-08-01

We consider the cosmology with the running dark energy. The parametrization of dark energy is derived from the quantum process of transition from the false vacuum state to the true vacuum state. This model is the generalized interacting CDM model. We consider the energy density of dark energy parametrization, which is given by the Breit-Wigner energy distribution function. The idea of the process of the quantum mechanical decay of unstable states was formulated by Krauss and Dent. We used this idea in our considerations. In this model is an energy transfer in the dark sector. In this evolutional scenario the universe starts from the false vacuum state and goes to the true vacuum state of the present day universe. The intermediate regime during the passage from false to true vacuum states takes place. In this way the cosmological constant problem can be tried to solve. We estimate the cosmological parameters for this model. This model is in a good agreement with the astronomical data and is practically indistinguishable from CDM model.

Unconventional High Density Vertically Aligned Conducting Polymer

DTIC Science & Technology

2014-08-21

DISTRIBUTION/AVAILABILITY STATEMENT Unlimited 13. SUPPLEMENTARY NOTES 14. ABSTRACT Supercapacitors are promising energy storage devices due to their higher...order to meet the demands of a wide range of energy technologies, supercapacitors with higher energy and power densities are required. Although many past...applications. Supercapacitors are promising energy storage devices due to their higher energy density than dielectric capacitors and higher power density and

On the Maximum and Characteristic Curvature of Current Density of High tc Superconductor Ybco in Flux Relaxation

NASA Astrophysics Data System (ADS)

Ye, Jiping; Sun, Lei; Dai, Xianxi; Dai, Jixin

The flux relaxation is one of important topics in the studies of high Tc superconductivity, because it is related to the energy loss in practical applications. There are many mechanisms, theories and relaxation laws suggested in the literatures. It is very interesting to test them according to the characters and compare them with the experiments. Some people think that the characters of the famous theories are their negative curvature. According our inversion solution, the relaxation ArcG law and experimental data analysis, the relaxation law has both positive and negative signs. This prediction is hopeful to be checked by experiments in future. The current densities of many high Tc superconductors decrease very rapidly in the early time in the relaxation. People do not know what their maximums are. In this work, a theory to determine these maximums of the current densities is presented. The theory is concretely realized by inversion for some real data of the YBCO and their maximum current densities are obtained.

Gedanken densities and exact constraints in density functional theory.

PubMed

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

2014-05-14

Approximations to the exact density functional for the exchange-correlation energy of a many-electron ground state can be constructed by satisfying constraints that are universal, i.e., valid for all electron densities. Gedanken densities are designed for the purpose of this construction, but need not be realistic. The uniform electron gas is an old gedanken density. Here, we propose a spherical two-electron gedanken density in which the dimensionless density gradient can be an arbitrary positive constant wherever the density is non-zero. The Lieb-Oxford lower bound on the exchange energy can be satisfied within a generalized gradient approximation (GGA) by bounding its enhancement factor or simplest GGA exchange-energy density. This enhancement-factor bound is well known to be sufficient, but our gedanken density shows that it is also necessary. The conventional exact exchange-energy density satisfies no such local bound, but energy densities are not unique, and the simplest GGA exchange-energy density is not an approximation to it. We further derive a strongly and optimally tightened bound on the exchange enhancement factor of a two-electron density, which is satisfied by the local density approximation but is violated by all published GGA's or meta-GGA's. Finally, some consequences of the non-uniform density-scaling behavior for the asymptotics of the exchange enhancement factor of a GGA or meta-GGA are given.

Directing the Lithium–Sulfur Reaction Pathway via Sparingly Solvating Electrolytes for High Energy Density Batteries

PubMed Central

2017-01-01

The lithium–sulfur battery has long been seen as a potential next generation battery chemistry for electric vehicles owing to the high theoretical specific energy and low cost of sulfur. However, even state-of-the-art lithium–sulfur batteries suffer from short lifetimes due to the migration of highly soluble polysulfide intermediates and exhibit less than desired energy density due to the required excess electrolyte. The use of sparingly solvating electrolytes in lithium–sulfur batteries is a promising approach to decouple electrolyte quantity from reaction mechanism, thus creating a pathway toward high energy density that deviates from the current catholyte approach. Herein, we demonstrate that sparingly solvating electrolytes based on compact, polar molecules with a 2:1 ratio of a functional group to lithium salt can fundamentally redirect the lithium–sulfur reaction pathway by inhibiting the traditional mechanism that is based on fully solvated intermediates. In contrast to the standard catholyte sulfur electrochemistry, sparingly solvating electrolytes promote intermediate- and short-chain polysulfide formation during the first third of discharge, before disproportionation results in crystalline lithium sulfide and a restricted fraction of soluble polysulfides which are further reduced during the remaining discharge. Moreover, operation at intermediate temperatures ca. 50 °C allows for minimal overpotentials and high utilization of sulfur at practical rates. This discovery opens the door to a new wave of scientific inquiry based on modifying the electrolyte local structure to tune and control the reaction pathway of many precipitation–dissolution chemistries, lithium–sulfur and beyond. PMID:28691072

High capacity of lithium-sulfur batteries at low electrolyte/sulfur ratio enabled by an organosulfide containing electrolyte

DOE PAGES

Chen, Shuru; Gao, Yue; Yu, Zhaoxin; ...

2016-11-30

We present that lithium-sulfur (Li-S) battery is a promising energy storage technology to replace lithium ion batteries for higher energy density and lower cost. Dissolution of lithium polysulfide intermediates in conventional Li-S electrolytes is known as one of the key technical barriers to the development of Li-S, because it promotes redistribution and irreversible deposition of Li 2S, and also forces large amounts of electrolyte to be used, shortening cycling life and driving down cell energy density. Recently, dimethyl disulfide as a functional co-solvent has been demonstrated to show an alternate electrochemical reaction pathway for sulfur cathodes by the formation ofmore » dimethyl polysulfides and lithium organosulfides as intermediates and reduction products. In this work, comprehensive studies show that this new pathway not only provides high capacity but also enables excellent capacity retention through a built-in automatic discharge shutoff mechanism by tuning carbon/sulfur ratio in sulfur cathodes to reduce unfavorable Li 2S formation. Furthermore, this new electrolyte system is also found to enable high capacity of high-sulfur-loading cathodes with low electrolyte/sulfur (E/S) ratios, such as a stable specific capacity of around 1000 mAh g -1 using a low electrolyte amount (i.e, E/S ratio of 5 mL g -1) and highsulfur-loading (4 mg cm -2) cathodes. This electrolyte system almost doubles the capacity obtained with conventional electrolytes under the same harsh conditions. In conclusion, these results highlight the practical potential of this electrolyte system to enable high-energy-density Li-S batteries.« less

Directing the lithium–sulfur reaction pathway via sparingly solvating electrolytes for high energy density batteries

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

Lee, Chang -Wook; Pang, Quan; Ha, Seungbum

The lithium–sulfur battery has long been seen as a potential next generation battery chemistry for electric vehicles owing to the high theoretical specific energy and low cost of sulfur. However, even state-of-the-art lithium–sulfur batteries suffer from short lifetimes due to the migration of highly soluble polysulfide intermediates and exhibit less than desired energy density due to the required excess electrolyte. The use of sparingly solvating electrolytes in lithium–sulfur batteries is a promising approach to decouple electrolyte quantity from reaction mechanism, thus creating a pathway toward high energy density that deviates from the current catholyte approach. Herein, we demonstrate that sparinglymore » solvating electrolytes based on compact, polar molecules with a 2:1 ratio of a functional group to lithium salt can fundamentally redirect the lithium–sulfur reaction pathway by inhibiting the traditional mechanism that is based on fully solvated intermediates. In contrast to the standard catholyte sulfur electrochemistry, sparingly solvating electrolytes promote intermediate- and short-chain polysulfide formation during the first third of discharge, before disproportionation results in crystalline lithium sulfide and a restricted fraction of soluble polysulfides which are further reduced during the remaining discharge. Moreover, operation at intermediate temperatures ca. 50 °C allows for minimal overpotentials and high utilization of sulfur at practical rates. Finally, this discovery opens the door to a new wave of scientific inquiry based on modifying the electrolyte local structure to tune and control the reaction pathway of many precipitation–dissolution chemistries, lithium–sulfur and beyond.« less

Directing the lithium–sulfur reaction pathway via sparingly solvating electrolytes for high energy density batteries

DOE PAGES

Lee, Chang -Wook; Pang, Quan; Ha, Seungbum; ...

2017-05-25

The lithium–sulfur battery has long been seen as a potential next generation battery chemistry for electric vehicles owing to the high theoretical specific energy and low cost of sulfur. However, even state-of-the-art lithium–sulfur batteries suffer from short lifetimes due to the migration of highly soluble polysulfide intermediates and exhibit less than desired energy density due to the required excess electrolyte. The use of sparingly solvating electrolytes in lithium–sulfur batteries is a promising approach to decouple electrolyte quantity from reaction mechanism, thus creating a pathway toward high energy density that deviates from the current catholyte approach. Herein, we demonstrate that sparinglymore » solvating electrolytes based on compact, polar molecules with a 2:1 ratio of a functional group to lithium salt can fundamentally redirect the lithium–sulfur reaction pathway by inhibiting the traditional mechanism that is based on fully solvated intermediates. In contrast to the standard catholyte sulfur electrochemistry, sparingly solvating electrolytes promote intermediate- and short-chain polysulfide formation during the first third of discharge, before disproportionation results in crystalline lithium sulfide and a restricted fraction of soluble polysulfides which are further reduced during the remaining discharge. Moreover, operation at intermediate temperatures ca. 50 °C allows for minimal overpotentials and high utilization of sulfur at practical rates. Finally, this discovery opens the door to a new wave of scientific inquiry based on modifying the electrolyte local structure to tune and control the reaction pathway of many precipitation–dissolution chemistries, lithium–sulfur and beyond.« less

High capacity of lithium-sulfur batteries at low electrolyte/sulfur ratio enabled by an organosulfide containing electrolyte

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

Chen, Shuru; Gao, Yue; Yu, Zhaoxin

We present that lithium-sulfur (Li-S) battery is a promising energy storage technology to replace lithium ion batteries for higher energy density and lower cost. Dissolution of lithium polysulfide intermediates in conventional Li-S electrolytes is known as one of the key technical barriers to the development of Li-S, because it promotes redistribution and irreversible deposition of Li 2S, and also forces large amounts of electrolyte to be used, shortening cycling life and driving down cell energy density. Recently, dimethyl disulfide as a functional co-solvent has been demonstrated to show an alternate electrochemical reaction pathway for sulfur cathodes by the formation ofmore » dimethyl polysulfides and lithium organosulfides as intermediates and reduction products. In this work, comprehensive studies show that this new pathway not only provides high capacity but also enables excellent capacity retention through a built-in automatic discharge shutoff mechanism by tuning carbon/sulfur ratio in sulfur cathodes to reduce unfavorable Li 2S formation. Furthermore, this new electrolyte system is also found to enable high capacity of high-sulfur-loading cathodes with low electrolyte/sulfur (E/S) ratios, such as a stable specific capacity of around 1000 mAh g -1 using a low electrolyte amount (i.e, E/S ratio of 5 mL g -1) and highsulfur-loading (4 mg cm -2) cathodes. This electrolyte system almost doubles the capacity obtained with conventional electrolytes under the same harsh conditions. In conclusion, these results highlight the practical potential of this electrolyte system to enable high-energy-density Li-S batteries.« less

A quantum mechanical-Poisson-Boltzmann equation approach for studying charge flow between ions and a dielectric continuum

NASA Astrophysics Data System (ADS)

Gogonea, Valentin; Merz, Kenneth M.

2000-02-01

This paper presents a theoretical model for the investigation of charge transfer between ions and a solvent treated as a dielectric continuum media. The method is a combination of a semiempirical effective Hamiltonian with a modified Poisson-Boltzmann equation which includes charge transfer in the form of a surface charge density positioned at the dielectric interface. The new Poisson-Boltzmann equation together with new boundary conditions results in a new set of equations for the electrostatic potential (or polarization charge densities). Charge transfer adds a new free energy component to the solvation free energy term, which accounts for all interactions between the transferred charge at the dielectric interface, the solute wave function and the solvent polarization charges. Practical calculations on a set of 19 anions and 17 cations demonstrate that charge exchange with a dielectric is present and it is in the range of 0.06-0.4 eu. Furthermore, the pattern of the magnitudes of charge transfer can be related to the acid-base properties of the ions in many cases, but exceptions are also found. Finally, we show that the method leads to an energy decomposition scheme of the total electrostatic energy, which can be used in mechanistic studies on protein and DNA interaction with water.

Dense blocks of energetic ions driven by multi-petawatt lasers

PubMed Central

Weng, S. M.; Liu, M.; Sheng, Z. M.; Murakami, M.; Chen, M.; Yu, L. L.; Zhang, J.

2016-01-01

Laser-driven ion accelerators have the advantages of compact size, high density, and short bunch duration over conventional accelerators. Nevertheless, it is still challenging to simultaneously enhance the yield and quality of laser-driven ion beams for practical applications. Here we propose a scheme to address this challenge via the use of emerging multi-petawatt lasers and a density-modulated target. The density-modulated target permits its ions to be uniformly accelerated as a dense block by laser radiation pressure. In addition, the beam quality of the accelerated ions is remarkably improved by embedding the target in a thick enough substrate, which suppresses hot electron refluxing and thus alleviates plasma heating. Particle-in-cell simulations demonstrate that almost all ions in a solid-density plasma of a few microns can be uniformly accelerated to about 25% of the speed of light by a laser pulse at an intensity around 1022 W/cm2. The resulting dense block of energetic ions may drive fusion ignition and more generally create matter with unprecedented high energy density. PMID:26924793

Generalized Master Equation with Non-Markovian Multichromophoric Förster Resonance Energy Transfer for Modular Exciton Densities

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

Jang, Seogjoo; Hoyer, Stephan; Fleming, Graham

2014-10-31

A generalized master equation (GME) governing quantum evolution of modular exciton density (MED) is derived for large scale light harvesting systems composed of weakly interacting modules of multiple chromophores. The GME-MED offers a practical framework to incorporate real time coherent quantum dynamics calculations of small length scales into dynamics over large length scales, and also provides a non-Markovian generalization and rigorous derivation of the Pauli master equation employing multichromophoric Förster resonance energy transfer rates. A test of the GME-MED for four sites of the Fenna-Matthews-Olson complex demonstrates how coherent dynamics of excitonic populations over coupled chromophores can be accurately describedmore » by transitions between subgroups (modules) of delocalized excitons. Application of the GME-MED to the exciton dynamics between a pair of light harvesting complexes in purple bacteria demonstrates its promise as a computationally efficient tool to investigate large scale exciton dynamics in complex environments.« less

Stabilizing the Performance of High-Capacity Sulfur Composite Electrodes by a New Gel Polymer Electrolyte Configuration.

PubMed

Agostini, Marco; Lim, Du Hyun; Sadd, Matthew; Fasciani, Chiara; Navarra, Maria Assunta; Panero, Stefania; Brutti, Sergio; Matic, Aleksandar; Scrosati, Bruno

2017-09-11

Increased pollution and the resulting increase in global warming are drawing attention to boosting the use of renewable energy sources such as solar or wind. However, the production of energy from most renewable sources is intermittent and thus relies on the availability of electrical energy-storage systems with high capacity and at competitive cost. Lithium-sulfur batteries are among the most promising technologies in this respect due to a very high theoretical energy density (1675 mAh g -1 ) and that the active material, sulfur, is abundant and inexpensive. However, a so far limited practical energy density, life time, and the scaleup of materials and production processes prevent their introduction into commercial applications. In this work, we report on a simple strategy to address these issues by using a new gel polymer electrolyte (GPE) that enables stable performance close to the theoretical capacity of a low cost sulfur-carbon composite with high loading of active material, that is, 70 % sulfur. We show that the GPE prevents sulfur dissolution and reduces migration of polysulfide species to the anode. This functional mechanism of the GPE membranes is revealed by investigating both its morphology and the Li-anode/GPE interface at various states of discharge/charge using Raman spectroscopy. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dietary Energy Density in the Australian Adult Population from National Nutrition Surveys 1995 to 2012.

PubMed

Grech, Amanda Lee; Rangan, Anna; Allman-Farinelli, Margaret

2017-12-01

It is hypothesized that the observed proliferation of energy-dense, nutrient-poor foods globally is an important contributing factor to the development of the obesity epidemic. However, evidence that the population's dietary energy density has increased is sparse. The World Cancer Research Fund recommends that dietary energy density be <1.25 kcal/g to prevent weight gain. The aim of this research was to determine whether the dietary energy density of the Australian population has changed between 1995 and 2012. A secondary analysis of two cross-sectional Australian national nutrition surveys from 1995 and 2011/2012 was conducted. Participants of the surveys included adults aged 18 years and older (1995 n=10,986 and 2011/2012 n=9,435) completing 24-hour dietary recalls, including a second recall for a subset of the population (10.4% in 1995 and 64.6% in 2011/2012). Outcome measures included the change in dietary energy density (calculated as energy/weight of food [kcal/g] for food only) between surveys. The National Cancer Institute method for "estimating ratios of two dietary components that are consumed nearly every day" was used to determine the usual distribution and the percentage of participants reporting energy density <1.25 kcal/g. The mean (standard deviation) dietary energy density was 1.59 (0.26) kcal/g and 1.64 (0.32) kcal/g (P<0.0001) in 1995 and 2011/2012, respectively, with 13% and 5% (P<0.0001) of the population meeting dietary energy-density recommendations. For those aged 70 years and older, the percentage with energy density <1.25 kcal/g decreased from 22% to 6% (P<0.0001) for men and from 33% to 11% (P<0.0001) for women in 1995 and 2011/2012, respectively. Among those aged 18 to 29 years, 1% of men in both surveys (P=0.8) and 4% of women in 1995 and 2% in 2011/2012 (P=0.01) reported energy density <1.25 kcal/g. Dietary energy density has increased between the two surveys and few people consumed low energy-dense diets in line with recommendations. The change was largely due to increased energy density of older adult's diets, while young adults had high dietary energy density at both time points. These data suggest efforts now focus on the evaluation of the role of modifying energy density of the diet to reduce the risk of weight gain in adults. Copyright © 2017 Academy of Nutrition and Dietetics. Published by Elsevier Inc. All rights reserved.

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

Rebolini, Elisa, E-mail: rebolini@lct.jussieu.fr; Toulouse, Julien, E-mail: julien.toulouse@upmc.fr; Savin, Andreas, E-mail: savin@lct.jussieu.fr

We present a study of the variation of total energies and excitation energies along a range-separated adiabatic connection. This connection links the non-interacting Kohn–Sham electronic system to the physical interacting system by progressively switching on the electron–electron interactions whilst simultaneously adjusting a one-electron effective potential so as to keep the ground-state density constant. The interactions are introduced in a range-dependent manner, first introducing predominantly long-range, and then all-range, interactions as the physical system is approached, as opposed to the conventional adiabatic connection where the interactions are introduced by globally scaling the standard Coulomb interaction. Reference data are reported for themore » He and Be atoms and the H{sub 2} molecule, obtained by calculating the short-range effective potential at the full configuration-interaction level using Lieb's Legendre-transform approach. As the strength of the electron–electron interactions increases, the excitation energies, calculated for the partially interacting systems along the adiabatic connection, offer increasingly accurate approximations to the exact excitation energies. Importantly, the excitation energies calculated at an intermediate point of the adiabatic connection are much better approximations to the exact excitation energies than are the corresponding Kohn–Sham excitation energies. This is particularly evident in situations involving strong static correlation effects and states with multiple excitation character, such as the dissociating H{sub 2} molecule. These results highlight the utility of long-range interacting reference systems as a starting point for the calculation of excitation energies and are of interest for developing and analyzing practical approximate range-separated density-functional methodologies.« less

Multiconfiguration Pair-Density Functional Theory.

PubMed

Li Manni, Giovanni; Carlson, Rebecca K; Luo, Sijie; Ma, Dongxia; Olsen, Jeppe; Truhlar, Donald G; Gagliardi, Laura

2014-09-09

We present a new theoretical framework, called Multiconfiguration Pair-Density Functional Theory (MC-PDFT), which combines multiconfigurational wave functions with a generalization of density functional theory (DFT). A multiconfigurational self-consistent-field (MCSCF) wave function with correct spin and space symmetry is used to compute the total electronic density, its gradient, the on-top pair density, and the kinetic and Coulomb contributions to the total electronic energy. We then use a functional of the total density, its gradient, and the on-top pair density to calculate the remaining part of the energy, which we call the on-top-density-functional energy in contrast to the exchange-correlation energy of Kohn-Sham DFT. Because the on-top pair density is an element of the two-particle density matrix, this goes beyond the Hohenberg-Kohn theorem that refers only to the one-particle density. To illustrate the theory, we obtain first approximations to the required new type of density functionals by translating conventional density functionals of the spin densities using a simple prescription, and we perform post-SCF density functional calculations using the total density, density gradient, and on-top pair density from the MCSCF calculations. Double counting of dynamic correlation or exchange does not occur because the MCSCF energy is not used. The theory is illustrated by applications to the bond energies and potential energy curves of H2, N2, F2, CaO, Cr2, and NiCl and the electronic excitation energies of Be, C, N, N(+), O, O(+), Sc(+), Mn, Co, Mo, Ru, N2, HCHO, C4H6, c-C5H6, and pyrazine. The method presented has a computational cost and scaling similar to MCSCF, but a quantitative accuracy, even with the present first approximations to the new types of density functionals, that is comparable to much more expensive multireference perturbation theory methods.

Alternative definitions of the frozen energy in energy decomposition analysis of density functional theory calculations.

PubMed

Horn, Paul R; Head-Gordon, Martin

2016-02-28

In energy decomposition analysis (EDA) of intermolecular interactions calculated via density functional theory, the initial supersystem wavefunction defines the so-called "frozen energy" including contributions such as permanent electrostatics, steric repulsions, and dispersion. This work explores the consequences of the choices that must be made to define the frozen energy. The critical choice is whether the energy should be minimized subject to the constraint of fixed density. Numerical results for Ne2, (H2O)2, BH3-NH3, and ethane dissociation show that there can be a large energy lowering associated with constant density orbital relaxation. By far the most important contribution is constant density inter-fragment relaxation, corresponding to charge transfer (CT). This is unwanted in an EDA that attempts to separate CT effects, but it may be useful in other contexts such as force field development. An algorithm is presented for minimizing single determinant energies at constant density both with and without CT by employing a penalty function that approximately enforces the density constraint.

Change in dietary energy density after implementation of the Texas Public School Nutrition Policy.

PubMed

Mendoza, Jason A; Watson, Kathy; Cullen, Karen Weber

2010-03-01

Consumption of energy-dense foods has been associated with rising obesity rates and the metabolic syndrome. Reducing dietary energy density is an important strategy to address obesity, but few studies have examined the effect of nutrition policies on children's energy density. The study's objective was to assess the impact of the Texas Public School Nutrition Policy on children's energy density by using a pre- and post-policy evaluation. Analysis of variance/covariance and nonparametric tests compared energy density after the Texas policy change to intakes at baseline. Two years of lunch food records were collected from middle school students in Southeast Texas at three public middle schools: baseline (2001-2002) and 1 year after implementation of the Texas Policy (2005-2006). Students recorded the amount and source of foods consumed. The Texas Public School Nutrition Policy was designed to promote a healthy school environment by restricting portion sizes of high-fat and high-sugar snacks and sweetened beverages, fat content of foods, and serving of high-fat vegetables like french fries. Energy density (kcal/g): energy density-1 was the energy of foods only (no beverages) divided by the gram weight and has been previously associated with obesity and insulin resistance; energy density-2 included all food and beverages to give a complete assessment of all sources of calories. Following implementation of the Texas policy, students' energy density-1 significantly decreased from 2.80+/-1.08 kcal/g to 2.17+/-0.78 kcal/g (P<0.0001). Similarly, energy density-2 significantly decreased from 1.38+/-0.76 kcal/g to 1.29+/-0.53 kcal/g (P<0.0001). In conclusion, the Texas Public School Nutrition Policy was associated with desirable reductions in energy density, which suggests improved nutrient intake as a result of student school lunch consumption. Copyright 2010 American Dietetic Association. Published by Elsevier Inc. All rights reserved.

Multiconfiguration pair-density functional theory: barrier heights and main group and transition metal energetics.

PubMed

Carlson, Rebecca K; Li Manni, Giovanni; Sonnenberger, Andrew L; Truhlar, Donald G; Gagliardi, Laura

2015-01-13

Kohn-Sham density functional theory, resting on the representation of the electronic density and kinetic energy by a single Slater determinant, has revolutionized chemistry, but for open-shell systems, the Kohn-Sham Slater determinant has the wrong symmetry properties as compared to an accurate wave function. We have recently proposed a theory, called multiconfiguration pair-density functional theory (MC-PDFT), in which the electronic kinetic energy and classical Coulomb energy are calculated from a multiconfiguration wave function with the correct symmetry properties, and the rest of the energy is calculated from a density functional, called the on-top density functional, that depends on the density and the on-top pair density calculated from this wave function. We also proposed a simple way to approximate the on-top density functional by translation of Kohn-Sham exchange-correlation functionals. The method is much less expensive than other post-SCF methods for calculating the dynamical correlation energy starting with a multiconfiguration self-consistent-field wave function as the reference wave function, and initial tests of the theory were quite encouraging. Here, we provide a broader test of the theory by applying it to bond energies of main-group molecules and transition metal complexes, barrier heights and reaction energies for diverse chemical reactions, proton affinities, and the water dimerization energy. Averaged over 56 data points, the mean unsigned error is 3.2 kcal/mol for MC-PDFT, as compared to 6.9 kcal/mol for Kohn-Sham theory with a comparable density functional. MC-PDFT is more accurate on average than complete active space second-order perturbation theory (CASPT2) for main-group small-molecule bond energies, alkyl bond dissociation energies, transition-metal-ligand bond energies, proton affinities, and the water dimerization energy.

Statistical properties of kinetic and total energy densities in reverberant spaces.

PubMed

Jacobsen, Finn; Molares, Alfonso Rodríguez

2010-04-01

Many acoustical measurements, e.g., measurement of sound power and transmission loss, rely on determining the total sound energy in a reverberation room. The total energy is usually approximated by measuring the mean-square pressure (i.e., the potential energy density) at a number of discrete positions. The idea of measuring the total energy density instead of the potential energy density on the assumption that the former quantity varies less with position than the latter goes back to the 1930s. However, the phenomenon was not analyzed until the late 1970s and then only for the region of high modal overlap, and this analysis has never been published. Moreover, until fairly recently, measurement of the total sound energy density required an elaborate experimental arrangement based on finite-difference approximations using at least four amplitude and phase matched pressure microphones. With the advent of a three-dimensional particle velocity transducer, it has become somewhat easier to measure total rather than only potential energy density in a sound field. This paper examines the ensemble statistics of kinetic and total sound energy densities in reverberant enclosures theoretically, experimentally, and numerically.

Acoustic energy in ducts - Further observations

NASA Technical Reports Server (NTRS)

Eversman, W.

1979-01-01

The transmission of acoustic energy in uniform ducts carrying uniform flow is investigated with the purpose of clarifying two points of interest. The two commonly used definitions of acoustic 'energy' flux are shown to be related by a Legendre transformation of the Lagrangian density exactly as in deriving the Hamiltonian density in mechanics. In the acoustic case the total energy density and the Hamiltonian density are not the same which accounts for two different 'energy' fluxes. When the duct has acoustically absorptive walls neither of the two flux expressions gives correct results. A reevaluation of the basis of derivation of the energy density and energy flux provides forms which yield consistent results for soft walled ducts.

Thermal conductivity of graphene with defects induced by electron beam irradiation

NASA Astrophysics Data System (ADS)

Malekpour, Hoda; Ramnani, Pankaj; Srinivasan, Srilok; Balasubramanian, Ganesh; Nika, Denis L.; Mulchandani, Ashok; Lake, Roger K.; Balandin, Alexander A.

2016-07-01

We investigate the thermal conductivity of suspended graphene as a function of the density of defects, ND, introduced in a controllable way. High-quality graphene layers are synthesized using chemical vapor deposition, transferred onto a transmission electron microscopy grid, and suspended over ~7.5 μm size square holes. Defects are induced by irradiation of graphene with the low-energy electron beam (20 keV) and quantified by the Raman D-to-G peak intensity ratio. As the defect density changes from 2.0 × 1010 cm-2 to 1.8 × 1011 cm-2 the thermal conductivity decreases from ~(1.8 +/- 0.2) × 103 W mK-1 to ~(4.0 +/- 0.2) × 102 W mK-1 near room temperature. At higher defect densities, the thermal conductivity reveals an intriguing saturation-type behavior at a relatively high value of ~400 W mK-1. The thermal conductivity dependence on the defect density is analyzed using the Boltzmann transport equation and molecular dynamics simulations. The results are important for understanding phonon - point defect scattering in two-dimensional systems and for practical applications of graphene in thermal management.We investigate the thermal conductivity of suspended graphene as a function of the density of defects, ND, introduced in a controllable way. High-quality graphene layers are synthesized using chemical vapor deposition, transferred onto a transmission electron microscopy grid, and suspended over ~7.5 μm size square holes. Defects are induced by irradiation of graphene with the low-energy electron beam (20 keV) and quantified by the Raman D-to-G peak intensity ratio. As the defect density changes from 2.0 × 1010 cm-2 to 1.8 × 1011 cm-2 the thermal conductivity decreases from ~(1.8 +/- 0.2) × 103 W mK-1 to ~(4.0 +/- 0.2) × 102 W mK-1 near room temperature. At higher defect densities, the thermal conductivity reveals an intriguing saturation-type behavior at a relatively high value of ~400 W mK-1. The thermal conductivity dependence on the defect density is analyzed using the Boltzmann transport equation and molecular dynamics simulations. The results are important for understanding phonon - point defect scattering in two-dimensional systems and for practical applications of graphene in thermal management. Electronic supplementary information (ESI) available: Additional thermal conductivity measurements data. See DOI: 10.1039/c6nr03470e

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

Wei, Xiaoliang; Pan, Wenxiao; Duan, Wentao

Redox flow batteries are propitious stationary energy storage technologies with exceptional scalability and flexibility to improve the stability, efficiency and sustainability of our power grid. The redox-active materials are the central component to RFBs for achieving high energy density and good cyclability. Traditional inorganic-based materials encounter critical technical and economic limitations such as low solubility, inferior electrochemical activity, and high cost. Redox-active organic materials (ROMs) are promising alternative “green” candidates to push the boundaries of energy storage because of the significant advantages of molecular diversity, structural tailorability, and natural abundance. Here the recent development of a variety of ROM familiesmore » and associated battery designs in both aqueous and nonaqueous electrolytes are reviewed. Moreover, the critical challenges and potential research opportunities for developing practically relevant organic flow batteries are discussed.« less

Enhancing electrical energy storage capability of dielectric polymer nanocomposites via the room temperature Coulomb blockade effect of ultra-small platinum nanoparticles.

PubMed

Wang, Liwei; Huang, Xingyi; Zhu, Yingke; Jiang, Pingkai

2018-02-14

Introducing a high dielectric constant (high-k) nanofiller into a dielectric polymer is the most common way to achieve flexible nanocomposites for electrostatic energy storage devices. However, the significant decrease of breakdown strength and large increase of dielectric loss has long been known as the bottleneck restricting the enhancement of practical energy storage capability of the nanocomposites. In this study, by introducing ultra-small platinum (<2 nm) nanoparticles, high-k polymer nanocomposites with high breakdown strength and low dielectric loss were prepared successfully. Core-shell structured polydopamine@BaTiO 3 (PDA@BT) and core-satellite ultra-small platinum decorated PDA@BT (Pt@PDA@BT) were used as nanofillers. Compared with PDA@BT nanocomposites, the maximum discharged energy density of the Pt@PDA@BT nanocomposites is increased by nearly 70% because of the improved energy storage efficiency. This research provides a simple, promising and unique way to enhance energy storage capability of high-k polymer nanocomposites.

A transmission power optimization with a minimum node degree for energy-efficient wireless sensor networks with full-reachability.

PubMed

Chen, Yi-Ting; Horng, Mong-Fong; Lo, Chih-Cheng; Chu, Shu-Chuan; Pan, Jeng-Shyang; Liao, Bin-Yih

2013-03-20

Transmission power optimization is the most significant factor in prolonging the lifetime and maintaining the connection quality of wireless sensor networks. Un-optimized transmission power of nodes either interferes with or fails to link neighboring nodes. The optimization of transmission power depends on the expected node degree and node distribution. In this study, an optimization approach to an energy-efficient and full reachability wireless sensor network is proposed. In the proposed approach, an adjustment model of the transmission range with a minimum node degree is proposed that focuses on topology control and optimization of the transmission range according to node degree and node density. The model adjusts the tradeoff between energy efficiency and full reachability to obtain an ideal transmission range. In addition, connectivity and reachability are used as performance indices to evaluate the connection quality of a network. The two indices are compared to demonstrate the practicability of framework through simulation results. Furthermore, the relationship between the indices under the conditions of various node degrees is analyzed to generalize the characteristics of node densities. The research results on the reliability and feasibility of the proposed approach will benefit the future real deployments.

A Transmission Power Optimization with a Minimum Node Degree for Energy-Efficient Wireless Sensor Networks with Full-Reachability

PubMed Central

Chen, Yi-Ting; Horng, Mong-Fong; Lo, Chih-Cheng; Chu, Shu-Chuan; Pan, Jeng-Shyang; Liao, Bin-Yih

2013-01-01

Transmission power optimization is the most significant factor in prolonging the lifetime and maintaining the connection quality of wireless sensor networks. Un-optimized transmission power of nodes either interferes with or fails to link neighboring nodes. The optimization of transmission power depends on the expected node degree and node distribution. In this study, an optimization approach to an energy-efficient and full reachability wireless sensor network is proposed. In the proposed approach, an adjustment model of the transmission range with a minimum node degree is proposed that focuses on topology control and optimization of the transmission range according to node degree and node density. The model adjusts the tradeoff between energy efficiency and full reachability to obtain an ideal transmission range. In addition, connectivity and reachability are used as performance indices to evaluate the connection quality of a network. The two indices are compared to demonstrate the practicability of framework through simulation results. Furthermore, the relationship between the indices under the conditions of various node degrees is analyzed to generalize the characteristics of node densities. The research results on the reliability and feasibility of the proposed approach will benefit the future real deployments. PMID:23519351

Densely-packed graphene/conducting polymer nanoparticle papers for high-volumetric-performance flexible all-solid-state supercapacitors

NASA Astrophysics Data System (ADS)

Yang, Chao; Zhang, Liling; Hu, Nantao; Yang, Zhi; Wei, Hao; Xu, Zhichuan J.; Wang, Yanyan; Zhang, Yafei

2016-08-01

Graphene-based all-solid-state supercapacitors (ASSSCs) are one of the most ideal candidates for high-performance flexible power sources. The achievement of high volumetric energy density is highly desired for practical application of this type of ASSSCs. Here, we present a facile method to boost volumetric performances of graphene-based flexible ASSSCs through incorporation of ultrafine polyaniline-poly(4-styrenesulfonate) (PANI-PSS) nanoparticles in reduced graphene oxide (rGO) papers. A compact structure is obtained via intimate contact and π-π interaction between PANI-PSS nanoparticles and rGO sheets. The hybrid paper electrode with the film thickness of 13.5 μm, shows an extremely high volumetric specific capacitance of 272 F/cm3 (0.37 A/cm3 in a three-electrode cell). The assembled ASSSCs show a large volumetric specific capacitance of 217 F/cm3 (0.37 A/cm3 in a two-electrode cell), high volumetric energy and power density, excellent capacitance stability, small leakage current as well as low self-discharge characteristics, revealing the usefulness of this robust hybrid paper for high-performance flexible energy storage devices.

Curvature and frontier orbital energies in density functional theory

NASA Astrophysics Data System (ADS)

Kronik, Leeor; Stein, Tamar; Autschbach, Jochen; Govind, Niranjan; Baer, Roi

2013-03-01

Perdew et al. [Phys. Rev. Lett 49, 1691 (1982)] discovered and proved two different properties of exact Kohn-Sham density functional theory (DFT): (i) The exact total energy versus particle number is a series of linear segments between integer electron points; (ii) Across an integer number of electrons, the exchange-correlation potential may ``jump'' by a constant, known as the derivative discontinuity (DD). Here, we show analytically that in both the original and the generalized Kohn-Sham formulation of DFT, the two are in fact two sides of the same coin. Absence of a derivative discontinuity necessitates deviation from piecewise linearity, and the latter can be used to correct for the former, thereby restoring the physical meaning of the orbital energies. Using selected small molecules, we show that this results in a simple correction scheme for any underlying functional, including semi-local and hybrid functionals as well as Hartree-Fock theory, suggesting a practical correction for the infamous gap problem of DFT. Moreover, we show that optimally-tuned range-separated hybrid functionals can inherently minimize both DD and curvature, thus requiring no correction, and show that this can be used as a sound theoretical basis for novel tuning strategies.

Ternary Pt/Rh/SnO2 electrocatalysts for oxidizing ethanol to CO2.

PubMed

Kowal, A; Li, M; Shao, M; Sasaki, K; Vukmirovic, M B; Zhang, J; Marinkovic, N S; Liu, P; Frenkel, A I; Adzic, R R

2009-04-01

Ethanol, with its high energy density, likely production from renewable sources and ease of storage and transportation, is almost the ideal combustible for fuel cells wherein its chemical energy can be converted directly into electrical energy. However, commercialization of direct ethanol fuel cells has been impeded by ethanol's slow, inefficient oxidation even at the best electrocatalysts. We synthesized a ternary PtRhSnO(2)/C electrocatalyst by depositing platinum and rhodium atoms on carbon-supported tin dioxide nanoparticles that is capable of oxidizing ethanol with high efficiency and holds great promise for resolving the impediments to developing practical direct ethanol fuel cells. This electrocatalyst effectively splits the C-C bond in ethanol at room temperature in acid solutions, facilitating its oxidation at low potentials to CO(2), which has not been achieved with existing catalysts. Our experiments and density functional theory calculations indicate that the electrocatalyst's activity is due to the specific property of each of its constituents, induced by their interactions. These findings help explain the high activity of Pt-Ru for methanol oxidation and the lack of it for ethanol oxidation, and point to the way to accomplishing the C-C bond splitting in other catalytic processes.

Revisiting the open-framework zinc hexacyanoferrate: The role of ternary electrolyte and sodium-ion intercalation mechanism

NASA Astrophysics Data System (ADS)

Niu, Lei; Chen, Liang; Zhang, Jun; Jiang, Ping; Liu, Zhaoping

2018-03-01

Non-flammable rechargeable aqueous sodium-ion batteries (RASB) made from natural abundant resources offer promising opportunities in large-scale energy storage, yet the low energy density as well as low voltage output and the limited cycle life hinder their practical applications. Here, we develop a high-voltage RASB based on rhombohedral zinc hexacyanoferrate as cathode materials, carbon-coated NaTi2(PO4)3 as anode materials and ternary NaClO4-H2O-polyethylene glycol (Na-H2O-PEG) as electrolyte to overcome these drawbacks. Such an RASB can deliver a high voltage output of 1.6 V with a specific energy density of 59 Wh kg-1 based on the total mass of active electrode materials. In addition, it possesses an excellent rate capability as an ultra-capacitor (2.7 kW kg-1). The capacity retention more than 91% is obtained after 100 cycles. Finally, a reversible phase transformation between rhombohedral Zn3[Fe(CN)6]2 and rhombohedral Na2Zn3[Fe(CN)6]2 that are accompanied by the insertion/extraction of sodium ion in zinc hexacyanoferrate is unveiled.

Sensitivity analysis of a coupled hydrodynamic-vegetation model using the effectively subsampled quadratures method (ESQM v5.2)

NASA Astrophysics Data System (ADS)

Kalra, Tarandeep S.; Aretxabaleta, Alfredo; Seshadri, Pranay; Ganju, Neil K.; Beudin, Alexis

2017-12-01

Coastal hydrodynamics can be greatly affected by the presence of submerged aquatic vegetation. The effect of vegetation has been incorporated into the Coupled Ocean-Atmosphere-Wave-Sediment Transport (COAWST) modeling system. The vegetation implementation includes the plant-induced three-dimensional drag, in-canopy wave-induced streaming, and the production of turbulent kinetic energy by the presence of vegetation. In this study, we evaluate the sensitivity of the flow and wave dynamics to vegetation parameters using Sobol' indices and a least squares polynomial approach referred to as the Effective Quadratures method. This method reduces the number of simulations needed for evaluating Sobol' indices and provides a robust, practical, and efficient approach for the parameter sensitivity analysis. The evaluation of Sobol' indices shows that kinetic energy, turbulent kinetic energy, and water level changes are affected by plant stem density, height, and, to a lesser degree, diameter. Wave dissipation is mostly dependent on the variation in plant stem density. Performing sensitivity analyses for the vegetation module in COAWST provides guidance to optimize efforts and reduce exploration of parameter space for future observational and modeling work.

Holographic Dark Energy Density

NASA Astrophysics Data System (ADS)

Saadat, Hassan

2011-06-01

In this article we consider the cosmological model based on the holographic dark energy. We study dark energy density in Universe with arbitrary spatially curvature described by the Friedmann-Robertson-Walker metric. We use Chevallier-Polarski-Linder parametrization to specify dark energy density.

Gibbs-Thomson Law for Singular Step Segments: Thermodynamics Versus Kinetics

NASA Technical Reports Server (NTRS)

Chernov, A. A.

2003-01-01

Classical Burton-Cabrera-Frank theory presumes that thermal fluctuations are so fast that at any time density of kinks on a step is comparable with the reciprocal intermolecular distance, so that the step rate is about isotropic within the crystal plane. Such azimuthal isotropy is, however, often not the case: Kink density may be much lower. In particular, it was recently found on the (010) face of orthorhombic lysozyme that interkink distance may exceed 500-600 intermolecular distances. Under such conditions, Gibbs-Thomson law (GTL) may not be applicable: On a straight step segment between two corners, communication between the comers occurs exclusively by kink exchange. Annihilation between kinks of opposite sign generated at the comers results in the grain in step energy entering GTL. If the step segment length l much greater than D/v, where D and v are the kink diffusivity and propagation rate, respectively, the opposite kinks have practically no chance to annihilate and GTL is not applicable. The opposite condition of the GTL applicability, l much less than D/v, is equivalent to the requirement that relative supersaturation Delta(sub mu)/kT much less than alpha/l, where alpha is molecular size. Thus, GTL may be applied to a segment of 10(exp 3)alpha approx. 3 x 10(exp -5)cm approx 0.3 micron only if supersaturation is less than 0.1%, while practically used driving forces for crystallization are much larger. Relationships alternative to the GTL for different, but low, kink density have been discussed. They confirm experimental evidences that the Burton-Cabrera-Frank theory of spiral growth is growth rates twice as low as compared to the observed figures. Also, application of GTL results in unrealistic step energy while suggested kinetic law give reasonable figures.

Sintering in Ceramics and Solid Oxide Fuel Cells

NASA Astrophysics Data System (ADS)

Hunt, Clay Dale

Nature's propensity to minimize energy, and the change in energy with respect to position, drives diffusion. Diffusion is a means by which mass transport resulting in the bonding of the particles of a powder compact can be achieved without melting. This phenomenon occurs in powdered materials near their melting temperature, and is referred to as "sintering". Because of the extreme melting temperature of some materials, sintering might be the only practical means of processing. The complexity and subtlety of sintering ceramics motivated the evaluation of empirical data and existing sintering models. This project examined polycrystalline cubic-zirconia sintering with and without transition-metal oxide additions that change sintering behavior. This study was undertaken to determine how sintering aids affect the driving force, and activation energy, the energy barrier that must be overcome in order for an atom or ion to diffuse, of the densification occurring during sintering. Examination of commercially-available cubic-zirconia powder sintering behavior was undertaken with dilatometry, which allows monitoring of the length change a material undergoes as it sinters, and with scanning electron microscopy, which facilitates the study of sintered-sample microstructure. MATLAB algorithms quantifying sintering results were developed. Results from this work include proposed definitions of a 26-year-old undefined function of density factor in a well-accepted mathematical model of sintering. These findings suggest activation energy is not changing with density, as is suggested by recent published results. The first numerical integration of the studied sintering model has been performed. With these tools, a measure of the activation energy of densification of cubic-zirconia with and without the addition of cobalt-oxide as a sintering aid has been performed. The resulting MATLAB algorithms can be used in future sintering studies. It is concluded that sintering enhancement achieved with cobalt-oxide addition comes from reduction in activation energy of densification of cubic-zirconia. Further, it is suggested that the activation energy of densification does not change with material density. This conclusion is supported by the sensitivity of the numerical integration of the aforementioned sintering model to changes in activation energy.

Comparison of three methods to reduce energy density. Effects on daily energy intake.

PubMed

Williams, Rachel A; Roe, Liane S; Rolls, Barbara J

2013-07-01

Reductions in food energy density can decrease energy intake, but it is not known if the effects depend on the way that energy density is reduced. We investigated whether three methods of reducing energy density (decreasing fat, increasing fruit and vegetables, and adding water) differed in their effects on energy intake across the day. In a crossover design, 59 adults ate breakfast, lunch, and dinner in the laboratory once a week for 4 weeks. Across conditions, the entrées were either standard in energy density or were reduced in energy density by 20% using one of the three methods. Each meal included a manipulated entrée along with unmanipulated side dishes, and all foods were consumed ad libitum. Reducing the energy density of entrées significantly decreased daily energy intake compared to standard entrées (mean intake 2667 ± 77 kcal/day; 11,166 ± 322 kJ/day). The mean decrease was 396 ± 44 kcal/day (1658 ± 184 kJ/day) when fat was reduced, 308 ± 41 kcal/day (1290 ± 172 kJ/day) when fruit and vegetables were increased, and 230 ± 35 kcal/day (963 ± 147 kJ/day) when water was added. Daily energy intake was lower when fat was decreased compared to the other methods. These findings indicate that a variety of diet compositions can be recommended to reduce overall dietary energy density in order to moderate energy intake. Copyright © 2013 Elsevier Ltd. All rights reserved.

Energy density of lake whitefish Coregonus clupeaformis in Lakes Huron and Michigan

USGS Publications Warehouse

Pothoven, S.A.; Nalepa, T.F.; Madenjian, C.P.; Rediske, R.R.; Schneeberger, P.J.; He, J.X.

2006-01-01

We collected lake whitefish Coregonus clupeaformis off Alpena and Tawas City, Michigan, USA in Lake Huron and off Muskegon, Michigan USA in Lake Michigan during 2002–2004. We determined energy density and percent dry weight for lake whitefish from both lakes and lipid content for Lake Michigan fish. Energy density increased with increasing fish weight up to 800 g, and then remained relatively constant with further increases in fish weight. Energy density, adjusted for weight, was lower in Lake Huron than in Lake Michigan for both small (≤800 g) and large fish (>800 g). Energy density did not differ seasonally for small or large lake whitefish or between adult male and female fish. Energy density was strongly correlated with percent dry weight and percent lipid content. Based on data from commercially caught lake whitefish, body condition was lower in Lake Huron than Lake Michigan during 1981–2003, indicating that the dissimilarity in body condition between the lakes could be long standing. Energy density and lipid content in 2002–2004 in Lake Michigan were lower than data for comparable sized fish collected in 1969–1971. Differences in energy density between lakes were attributed to variation in diet and prey energy content as well as factors that affect feeding rates such as lake whitefish density and prey abundance.

Ground-state properties of light kaonic nuclei signaling symmetry energy at high densities

NASA Astrophysics Data System (ADS)

Yang, Rongyao; Wei, Sina; Jiang, Weizhou

2018-01-01

A sensitive correlation between the ground-state properties of light kaonic nuclei and the symmetry energy at high densities is constructed under the framework of relativistic mean-field theory. Taking oxygen isotopes as an example, we see that a high-density core is produced in kaonic oxygen nuclei, due to the strongly attractive antikaon-nucleon interaction. It is found that the 1{S}1/2 state energy in the high-density core of kaonic nuclei can directly probe the variation of the symmetry energy at supranormal nuclear density, and a sensitive correlation between the neutron skin thickness and the symmetry energy at supranormal density is established directly. Meanwhile, the sensitivity of the neutron skin thickness to the low-density slope of the symmetry energy is greatly increased in the corresponding kaonic nuclei. These sensitive relationships are established upon the fact that the isovector potential in the central region of kaonic nuclei becomes very sensitive to the variation of the symmetry energy. These findings might provide another perspective to constrain high-density symmetry energy, and await experimental verification in the future. Supported by National Natural Science Foundation of China (11775049, 11275048) and the China Jiangsu Provincial Natural Science Foundation (BK20131286)

Agricultural practices and residual corn during spring crane and waterfowl migration in Nebraska

USGS Publications Warehouse

Sherfy, M.H.; Anteau, M.J.; Bishop, A.A.

2011-01-01

Nebraska's Central Platte River Valley (CPRV) is a major spring-staging area for migratory birds. Over 6 million ducks, geese, and sandhill cranes (Grus canadensis) stage there en route to tundra, boreal forest, and prairie breeding habitats, storing nutrients for migration and reproduction by consuming primarily corn remaining in fields after harvest (hereafter residual corn). In springs 2005-2007, we measured residual corn density in randomly selected harvested cornfields during early (n=188) and late migration (n=143) periods. We estimated the mean density of residual corn for the CPRV and examined the influence of agricultural practices (post-harvest field management) and migration period on residual corn density. During the early migration period, residual corn density was greater in idle harvested fields than any other treatments of fields (42%, 48%, 53%, and 92% more than grazed, grazed and mulched, mulched, and tilled fields, respectively). Depletion of residual corn from early to late migration did not differ among post-harvest treatments but was greatest during the year when overall corn density was lowest (2006). Geometric mean early-migration residual corn density for the CPRV in 2005-2007 (42.4 kg/ha; 95% CI=35.2-51.5 kg/ha) was markedly lower than previously published estimates, indicating that there has been a decrease in abundance of residual corn available to waterfowl during spring staging. Increases in harvest efficiency have been implicated as a cause for decreasing corn densities since the 1970s. However, our data show that post-harvest management of cornfields also can substantially influence the density of residual corn remaining in fields during spring migration. Thus, managers may be able to influence abundance of high-energy foods for spring-staging migratory birds in the CPRV through programs that influence post-harvest management of cornfields. ?? 2011 The Wildlife Society.

COMBINATION OF DENSITY AND ENERGY MODULATION IN MICROBUNCHING ANALYSIS

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

Tsai, Cheng Ying; Li, Rui

2016-05-01

Microbunching instability (MBI) has been one of the most challenging issues in the transport of high-brightness electron beams for modern recirculating or energy recovery linac machines. Recently we have developed and implemented a Vlasov solver [1] to calculate the microbunching gain for an arbitrary beamline lattice, based on the extension of existing theoretical formulation [2-4] for the microbunching amplification from an initial density perturbation to the final density modulation. For more thorough analyses, in addition to the case of (initial) density to (final) density amplification, we extend in this paper the previous formulation to more general cases, including energy tomore » density, density to energy and energy to energy amplifications for a recirculation machine. Such semi-analytical formulae are then incorporated into our Vlasov solver, and qualitative agreement is obtained when the semi-analytical Vlasov results are compared with particle tracking simulation using ELEGANT [5].« less

Time-dependent density-functional tight-binding method with the third-order expansion of electron density

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

Nishimoto, Yoshio, E-mail: nishimoto.yoshio@fukui.kyoto-u.ac.jp

2015-09-07

We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of themore » third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.« less

Time-dependent density-functional tight-binding method with the third-order expansion of electron density.

PubMed

Nishimoto, Yoshio

2015-09-07

We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of the third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.

Core–Shell Nanoparticle Coating as an Interfacial Layer for Dendrite-Free Lithium Metal Anodes

DOE PAGES

Liu, Wei; Li, Weiyang; Zhuo, Denys; ...

2017-02-08

Lithium metal based batteries represent a major challenge and opportunity in enabling a variety of devices requiring high-energy-density storage. However, dendritic lithium growth has limited the practical application of lithium metal anodes. Here we report a nanoporous, flexible and electrochemically stable coating of silica@poly(methyl methacrylate) (SiO 2@PMMA) core–shell nanospheres as an interfacial layer on lithium metal anode. This interfacial layer is capable of inhibiting Li dendrite growth while sustaining ionic flux through it, which is attributed to the nanoscaled pores formed among the nanospheres. Lastly, enhanced Coulombic efficiencies during lithium charge/discharge cycles have been achieved at various current densities andmore » areal capacities.« less

Core–Shell Nanoparticle Coating as an Interfacial Layer for Dendrite-Free Lithium Metal Anodes

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

Liu, Wei; Li, Weiyang; Zhuo, Denys

Lithium metal based batteries represent a major challenge and opportunity in enabling a variety of devices requiring high-energy-density storage. However, dendritic lithium growth has limited the practical application of lithium metal anodes. Here we report a nanoporous, flexible and electrochemically stable coating of silica@poly(methyl methacrylate) (SiO 2@PMMA) core–shell nanospheres as an interfacial layer on lithium metal anode. This interfacial layer is capable of inhibiting Li dendrite growth while sustaining ionic flux through it, which is attributed to the nanoscaled pores formed among the nanospheres. Lastly, enhanced Coulombic efficiencies during lithium charge/discharge cycles have been achieved at various current densities andmore » areal capacities.« less

Constructing Ultrahigh-Capacity Zinc-Nickel-Cobalt Oxide@Ni(OH)2 Core-Shell Nanowire Arrays for High-Performance Coaxial Fiber-Shaped Asymmetric Supercapacitors.

PubMed

Zhang, Qichong; Xu, Weiwei; Sun, Juan; Pan, Zhenghui; Zhao, Jingxin; Wang, Xiaona; Zhang, Jun; Man, Ping; Guo, Jiabin; Zhou, Zhenyu; He, Bing; Zhang, Zengxing; Li, Qingwen; Zhang, Yuegang; Xu, Lai; Yao, Yagang

2017-12-13

Increased efforts have recently been devoted to developing high-energy-density flexible supercapacitors for their practical applications in portable and wearable electronics. Although high operating voltages have been achieved in fiber-shaped asymmetric supercapacitors (FASCs), low specific capacitance still restricts the further enhancement of their energy density. This article specifies a facile and cost-effective method to directly grow three-dimensionally well-aligned zinc-nickel-cobalt oxide (ZNCO)@Ni(OH) 2 nanowire arrays (NWAs) on a carbon nanotube fiber (CNTF) with an ultrahigh specific capacitance of 2847.5 F/cm 3 (10.678 F/cm 2 ) at a current density of 1 mA/cm 2 , These levels are approximately five times higher than those of ZNCO NWAs/CNTF electrodes (2.10 F/cm 2 ) and four times higher than Ni(OH) 2 /CNTF electrodes (2.55 F/cm 2 ). Benefiting from their unique features, we successfully fabricated a prototype coaxial FASC (CFASC) with a maximum operating voltage of 1.6 V, which was assembled by adopting ZNCO@Ni(OH) 2 NWAs/CNTF as the core electrode and a thin layer of carbon coated vanadium nitride (VN@C) NWAs on a carbon nanotube strip (CNTS) as the outer electrode with KOH poly(vinyl alcohol) (PVA) as the gel electrolyte. A high specific capacitance of 94.67 F/cm 3 (573.75 mF/cm 2 ) and an exceptional energy density of 33.66 mWh/cm 3 (204.02 μWh/cm 2 ) were achieved for our CFASC device, which represent the highest levels of fiber-shaped supercapacitors to date. More importantly, the fiber-shaped ZnO-based photodetector is powered by the integrated CFASC, and it demonstrates excellent sensitivity in detecting UV light. Thus, this work paves the way to the construction of ultrahigh-capacity electrode materials for next-generation wearable energy-storage devices.

Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics.

PubMed

Peverati, Roberto; Truhlar, Donald G

2014-03-13

Kohn-Sham density functional theory is in principle an exact formulation of quantum mechanical electronic structure theory, but in practice we have to rely on approximate exchange-correlation (xc) functionals. The objective of our work has been to design an xc functional with broad accuracy across as wide an expanse of chemistry and physics as possible, leading--as a long-range goal--to a functional with good accuracy for all problems, i.e. a universal functional. To guide our path towards that goal and to measure our progress, we have developed-building on earlier work of our group-a set of databases of reference data for a variety of energetic and structural properties in chemistry and physics. These databases include energies of molecular processes, such as atomization, complexation, proton addition and ionization; they also include molecular geometries and solid-state lattice constants, chemical reaction barrier heights, and cohesive energies and band gaps of solids. For this paper, we gather many of these databases into four comprehensive databases, two with 384 energetic data for chemistry and solid-state physics and another two with 68 structural data for chemistry and solid-state physics, and we test two wave function methods and 77 density functionals (12 Minnesota meta functionals and 65 others) in a consistent way across this same broad set of data. We especially highlight the Minnesota density functionals, but the results have broader implications in that one may see the successes and failures of many kinds of density functionals when they are all applied to the same data. Therefore, the results provide a status report on the quest for a universal functional.

High Mass Loading MnO2 with Hierarchical Nanostructures for Supercapacitors.

PubMed

Huang, Zi-Hang; Song, Yu; Feng, Dong-Yang; Sun, Zhen; Sun, Xiaoqi; Liu, Xiao-Xia

2018-04-24

Metal oxides have attracted renewed interest as promising electrode materials for high energy density supercapacitors. However, the electrochemical performance of metal oxide materials deteriorates significantly with the increase of mass loading due to their moderate electronic and ionic conductivities. This limits their practical energy. Herein, we perform a morphology and phase-controlled electrodeposition of MnO 2 with ultrahigh mass loading of 10 mg cm -2 on a carbon cloth substrate to achieve high overall capacitance without sacrificing the electrochemical performance. Under optimum conditions, a hierarchical nanostructured architecture was constructed by interconnection of primary two-dimensional ε-MnO 2 nanosheets and secondary one-dimensional α-MnO 2 nanorod arrays. The specific hetero-nanostructures ensure facile ionic and electric transport in the entire electrode and maintain the structure stability during cycling. The hierarchically structured MnO 2 electrode with high mass loading yields an outstanding areal capacitance of 3.04 F cm -2 (or a specific capacitance of 304 F g -1 ) at 3 mA cm -2 and an excellent rate capability comparable to those of low mass loading MnO 2 electrodes. Finally, the aqueous and all-solid asymmetric supercapacitors (ASCs) assembled with our MnO 2 cathode exhibit extremely high volumetric energy densities (8.3 mWh cm -3 at the power density of 0.28 W cm -3 for aqueous ASC and 8.0 mWh cm -3 at 0.65 W cm -3 for all-solid ASC), superior to most state-of-the-art supercapacitors.

Acoustic power balance in lined ducts

NASA Technical Reports Server (NTRS)

Eversman, W.

1979-01-01

It is shown that the two common definitions of acoustic energy density and intensity in uniform unlined ducts carrying uniform flow are compatible to the extent that both energy densities can be used in an appropriate variational principle to derive the convected wave equation. When the duct walls are lined both energy densities must be modified to account for the wall energy density. This results in a new energy conservation equation which utilizes a modified definition of axial power and accounts for wall dissipation. Computations in specific cases demonstrate the validity of the modified acoustic energy relation.

Carbon nanotube dispersed conductive network for microbial fuel cells

NASA Astrophysics Data System (ADS)

Matsumoto, S.; Yamanaka, K.; Ogikubo, H.; Akasaka, H.; Ohtake, N.

2014-08-01

Microbial fuel cells (MFCs) are promising devices for capturing biomass energy. Although they have recently attracted considerable attention, their power densities are too low for practical use. Increasing their electrode surface area is a key factor for improving the performance of MFC. Carbon nanotubes (CNTs), which have excellent electrical conductivity and extremely high specific surface area, are promising materials for electrodes. However, CNTs are insoluble in aqueous solution because of their strong intertube van der Waals interactions, which make practical use of CNTs difficult. In this study, we revealed that CNTs have a strong interaction with Saccharomyces cerevisiae cells. CNTs attach to the cells and are dispersed in a mixture of water and S. cerevisiae, forming a three-dimensional CNT conductive network. Compared with a conventional two-dimensional electrode, such as carbon paper, the three-dimensional conductive network has a much larger surface area. By applying this conductive network to MFCs as an anode electrode, power density is increased to 176 μW/cm2, which is approximately 25-fold higher than that in the case without CNTs addition. Maximum current density is also increased to approximately 8-fold higher. These results suggest that three-dimensional CNT conductive network contributes to improve the performance of MFC by increasing surface area.

Flywheel rotor and containment technology development for FY 1982

NASA Astrophysics Data System (ADS)

Kulkarni, S. V.

1982-12-01

The status of technology development for an efficient, economical, and practical composite flywheel having an energy density of 88 Wh/kg (20 to 25 E Wh/lb) and an energy storge capacity of approximately 1 kWh is reported. Progress is also reported in the development of a fail-safe, lightweight, and low cost composite containment for the flywheel. One containment design was selected for prototype fabrication and testing. Flywheel rotor cyclic test capability was also demonstrated and evaluated. High strength Kevlar and graphite fibers are being studied. Tests of the elastomeric bond between the rotor and hub indicate that the bond strength exceeds the minimum torque requirements for automobile applications.

Extension of many-body theory and approximate density functionals to fractional charges and fractional spins.

PubMed

Yang, Weitao; Mori-Sánchez, Paula; Cohen, Aron J

2013-09-14

The exact conditions for density functionals and density matrix functionals in terms of fractional charges and fractional spins are known, and their violation in commonly used functionals has been shown to be the root of many major failures in practical applications. However, approximate functionals are designed for physical systems with integer charges and spins, not in terms of the fractional variables. Here we develop a general framework for extending approximate density functionals and many-electron theory to fractional-charge and fractional-spin systems. Our development allows for the fractional extension of any approximate theory that is a functional of G(0), the one-electron Green's function of the non-interacting reference system. The extension to fractional charge and fractional spin systems is based on the ensemble average of the basic variable, G(0). We demonstrate the fractional extension for the following theories: (1) any explicit functional of the one-electron density, such as the local density approximation and generalized gradient approximations; (2) any explicit functional of the one-electron density matrix of the non-interacting reference system, such as the exact exchange functional (or Hartree-Fock theory) and hybrid functionals; (3) many-body perturbation theory; and (4) random-phase approximations. A general rule for such an extension has also been derived through scaling the orbitals and should be useful for functionals where the link to the Green's function is not obvious. The development thus enables the examination of approximate theories against known exact conditions on the fractional variables and the analysis of their failures in chemical and physical applications in terms of violations of exact conditions of the energy functionals. The present work should facilitate the calculation of chemical potentials and fundamental bandgaps with approximate functionals and many-electron theories through the energy derivatives with respect to the fractional charge. It should play an important role in developing accurate approximate density functionals and many-body theory.

Postmortem validation of breast density using dual-energy mammography

PubMed Central

Molloi, Sabee; Ducote, Justin L.; Ding, Huanjun; Feig, Stephen A.

2014-01-01

Purpose: Mammographic density has been shown to be an indicator of breast cancer risk and also reduces the sensitivity of screening mammography. Currently, there is no accepted standard for measuring breast density. Dual energy mammography has been proposed as a technique for accurate measurement of breast density. The purpose of this study is to validate its accuracy in postmortem breasts and compare it with other existing techniques. Methods: Forty postmortem breasts were imaged using a dual energy mammography system. Glandular and adipose equivalent phantoms of uniform thickness were used to calibrate a dual energy basis decomposition algorithm. Dual energy decomposition was applied after scatter correction to calculate breast density. Breast density was also estimated using radiologist reader assessment, standard histogram thresholding and a fuzzy C-mean algorithm. Chemical analysis was used as the reference standard to assess the accuracy of different techniques to measure breast composition. Results: Breast density measurements using radiologist reader assessment, standard histogram thresholding, fuzzy C-mean algorithm, and dual energy were in good agreement with the measured fibroglandular volume fraction using chemical analysis. The standard error estimates using radiologist reader assessment, standard histogram thresholding, fuzzy C-mean, and dual energy were 9.9%, 8.6%, 7.2%, and 4.7%, respectively. Conclusions: The results indicate that dual energy mammography can be used to accurately measure breast density. The variability in breast density estimation using dual energy mammography was lower than reader assessment rankings, standard histogram thresholding, and fuzzy C-mean algorithm. Improved quantification of breast density is expected to further enhance its utility as a risk factor for breast cancer. PMID:25086548

Postmortem validation of breast density using dual-energy mammography

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

Molloi, Sabee, E-mail: symolloi@uci.edu; Ducote, Justin L.; Ding, Huanjun

2014-08-15

Purpose: Mammographic density has been shown to be an indicator of breast cancer risk and also reduces the sensitivity of screening mammography. Currently, there is no accepted standard for measuring breast density. Dual energy mammography has been proposed as a technique for accurate measurement of breast density. The purpose of this study is to validate its accuracy in postmortem breasts and compare it with other existing techniques. Methods: Forty postmortem breasts were imaged using a dual energy mammography system. Glandular and adipose equivalent phantoms of uniform thickness were used to calibrate a dual energy basis decomposition algorithm. Dual energy decompositionmore » was applied after scatter correction to calculate breast density. Breast density was also estimated using radiologist reader assessment, standard histogram thresholding and a fuzzy C-mean algorithm. Chemical analysis was used as the reference standard to assess the accuracy of different techniques to measure breast composition. Results: Breast density measurements using radiologist reader assessment, standard histogram thresholding, fuzzy C-mean algorithm, and dual energy were in good agreement with the measured fibroglandular volume fraction using chemical analysis. The standard error estimates using radiologist reader assessment, standard histogram thresholding, fuzzy C-mean, and dual energy were 9.9%, 8.6%, 7.2%, and 4.7%, respectively. Conclusions: The results indicate that dual energy mammography can be used to accurately measure breast density. The variability in breast density estimation using dual energy mammography was lower than reader assessment rankings, standard histogram thresholding, and fuzzy C-mean algorithm. Improved quantification of breast density is expected to further enhance its utility as a risk factor for breast cancer.« less

High-Capacity Cathode Material with High Voltage for Li-Ion Batteries

DOE PAGES

Shi, Ji -Lei; Xiao, Dong -Dong; Ge, Mingyuan; ...

2018-01-15

Electrochemical energy storage devices with a high energy density are an important technology in modern society, especially for electric vehicles. The most effective approach to improve the energy density of batteries is to search for high-capacity electrode materials. According to the concept of energy quality, a high-voltage battery delivers a highly useful energy, thus providing a new insight to improve energy density. Based on this concept, a novel and successful strategy to increase the energy density and energy quality by increasing the discharge voltage of cathode materials and preserving high capacity is proposed. The proposal is realized in high-capacity Li-richmore » cathode materials. The average discharge voltage is increased from 3.5 to 3.8 V by increasing the nickel content and applying a simple after-treatment, and the specific energy is improved from 912 to 1033 Wh kg-1. The current work provides an insightful universal principle for developing, designing, and screening electrode materials for high energy density and energy quality.« less

High-Capacity Cathode Material with High Voltage for Li-Ion Batteries

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

Shi, Ji -Lei; Xiao, Dong -Dong; Ge, Mingyuan

Electrochemical energy storage devices with a high energy density are an important technology in modern society, especially for electric vehicles. The most effective approach to improve the energy density of batteries is to search for high-capacity electrode materials. According to the concept of energy quality, a high-voltage battery delivers a highly useful energy, thus providing a new insight to improve energy density. Based on this concept, a novel and successful strategy to increase the energy density and energy quality by increasing the discharge voltage of cathode materials and preserving high capacity is proposed. The proposal is realized in high-capacity Li-richmore » cathode materials. The average discharge voltage is increased from 3.5 to 3.8 V by increasing the nickel content and applying a simple after-treatment, and the specific energy is improved from 912 to 1033 Wh kg-1. The current work provides an insightful universal principle for developing, designing, and screening electrode materials for high energy density and energy quality.« less

Ambipolar zinc-polyiodide electrolyte for a high-energy density aqueous redox flow battery

DOE PAGES

Li, Bin; Nie, Zimin; Vijayakumar, M.; ...

2015-02-24

Large-scale energy storage systems are crucial for substantial deployment of renewable energy sources. Energy storage systems with high energy density, high safety, and low cost and environmental friendliness are desired. To overcome the major limitations of the current aqueous redox flow battery systems, namely lower energy density (~25 Wh L -1) and presence of strong acids and/or other hazardous, a high energy density aqueous zinc/polyiodide flow battery (ZIB) is designed with near neutral ZnI 2 solutions as catholytes. The energy density of ZIB could reach 322 Wh L -1 at the solubility limit of ZnI 2 in water (~7 M).more » We demonstrate charge and discharge energy densities of 245.9 Wh/L and 166.7 Wh L-1 with ZnI 2 electrolyte at 5.0 M, respectively. The addition of ethanol (EtOH) in ZnI 2 electrolyte can effectively mitigate the growth of zinc dendrite at the anode and improve the stability of catholytes with wider temperature window (-20 to 50°C), which enable ZIB system to be a promising alternative as a high-energy and high- safety stationary energy storage system.« less

Practical quantum mechanics-based fragment methods for predicting molecular crystal properties.

PubMed

Wen, Shuhao; Nanda, Kaushik; Huang, Yuanhang; Beran, Gregory J O

2012-06-07

Significant advances in fragment-based electronic structure methods have created a real alternative to force-field and density functional techniques in condensed-phase problems such as molecular crystals. This perspective article highlights some of the important challenges in modeling molecular crystals and discusses techniques for addressing them. First, we survey recent developments in fragment-based methods for molecular crystals. Second, we use examples from our own recent research on a fragment-based QM/MM method, the hybrid many-body interaction (HMBI) model, to analyze the physical requirements for a practical and effective molecular crystal model chemistry. We demonstrate that it is possible to predict molecular crystal lattice energies to within a couple kJ mol(-1) and lattice parameters to within a few percent in small-molecule crystals. Fragment methods provide a systematically improvable approach to making predictions in the condensed phase, which is critical to making robust predictions regarding the subtle energy differences found in molecular crystals.

The effects of delta rays on the number of particle-track traversals per cell in laboratory and space exposures

NASA Technical Reports Server (NTRS)

Cucinotta, F. A.; Nikjoo, H.; Goodhead, D. T.; Wilson, J. W. (Principal Investigator)

1998-01-01

It is a common practice to estimate the number of particle-track traversals per cell or cell nucleus as the product of the ion's linear energy transfer (LET) and cell area. This practice ignores the effects of track width due to the lateral extension of delta rays. We make estimates of the number of particle-track traversals per cell, which includes the effects of delta rays using radial cutoffs in the ionization density about an ion's track of 1 mGy and 1 cGy. Calculations for laboratory and space radiation exposures are discussed, and show that the LET approximation provides a large underestimate of the actual number of particle-track traversals per cell from high-charge and energy (HZE) ions. In light of the current interest in the mechanisms of radiation action, including signal transduction and cytoplasmic damage, these results should be of interest for radiobiology studies with HZE ions.

Photo-electrochemical communication between cyanobacteria (Leptolyngbia sp.) and osmium redox polymer modified electrodes.

PubMed

Hasan, Kamrul; Bekir Yildiz, Huseyin; Sperling, Eva; Conghaile, Peter Ó; Packer, Michael A; Leech, Dónal; Hägerhäll, Cecilia; Gorton, Lo

2014-12-07

Photosynthetic microbial fuel cells (PMFCs) are an emerging technology for renewable solar energy conversion. Major efforts have been made to explore the electrogenic activity of cyanobacteria, mostly using practically unsustainable reagents. Here we report on photocurrent generation (≈8.64 μA cm(-2)) from cyanobacteria immobilized on electrodes modified with an efficient electron mediator, an Os(2+/3+) redox polymer. Upon addition of ferricyanide to the electrolyte, cyanobacteria generate the maximum current density of ≈48.2 μA cm(-2).

Nonlinear dielectric thin films for high-power electric storage with energy density comparable with electrochemical supercapacitors.

PubMed

Yao, Kui; Chen, Shuting; Rahimabady, Mojtaba; Mirshekarloo, Meysam Sharifzadeh; Yu, Shuhui; Tay, Francis Eng Hock; Sritharan, Thirumany; Lu, Li

2011-09-01

Although batteries possess high energy storage density, their output power is limited by the slow movement of charge carriers, and thus capacitors are often required to deliver high power output. Dielectric capacitors have high power density with fast discharge rate, but their energy density is typically much lower than electrochemical supercapacitors. Increasing the energy density of dielectric materials is highly desired to extend their applications in many emerging power system applications. In this paper, we review the mechanisms and major characteristics of electric energy storage with electrochemical supercapacitors and dielectric capacitors. Three types of in-house-produced ferroic nonlinear dielectric thin film materials with high energy density are described, including (Pb(0.97)La(0.02))(Zr(0.90)Sn(0.05)Ti(0.05))O(3) (PLZST) antiferroelectric ceramic thin films, Pb(Zn(1/3)Nb(2/3))O(3-)Pb(Mg(1/3)Nb(2/3))O(3-)PbTiO(3) (PZN-PMN-PT) relaxor ferroelectric ceramic thin films, and poly(vinylidene fluoride) (PVDF)-based polymer blend thin films. The results showed that these thin film materials are promising for electric storage with outstandingly high power density and fairly high energy density, comparable with electrochemical supercapacitors.

Reduced energy density of close-up diets decrease ruminal pH and increase concentration of volatile fatty acids postpartum in Holstein cows.

PubMed

Huang, Wenming; Tian, Yujia; Li, Shengli; Wu, Zhaohai; Cao, Zhijun

2017-11-01

The objective of this study was to determine the effect of reduced energy density of close-up diets on ruminal fermentation parameters in transition cows. Fourteen Holstein dry cows were blocked and assigned randomly to three groups fed a high energy density diet (HD, 1.62 Mcal of net energy for lactation (NE L )/kg dry matter (DM)), or a middle energy density diet (MD, 1.47 Mcal NE L /kg DM), or a low energy density diet (LD, 1.30 Mcal NE L /kg DM) prepartum, and were fed the same diet postpartum. The reduced energy density diets decreased the average dry matter intake (DMI) prepartum and tended to increase the DMI postpartum. The ruminal pH of the LD group was significantly higher prepartum and lower during the first week of lactation compared with the other two groups. The reduced energy density diet depressed the average ruminal concentration of propionate and butyrate prepartum, and increased the average concentration of total volatile fatty acids (VFA) postpartum. The LD group had higher populations of Butyrivibrio fibrisolvens and Ruminococcus flavefaciens relative to HD and MD groups on 7 days in milk. In conclusion, the cows fed reduced energy density diet prepartum had higher VFA concentration, but were more susceptible to subacute ruminal acidosis postpartum. © 2017 Japanese Society of Animal Science.

Quasi-perpetual discharge behaviour in p-type Ge-air batteries.

PubMed

Ocon, Joey D; Kim, Jin Won; Abrenica, Graniel Harne A; Lee, Jae Kwang; Lee, Jaeyoung

2014-11-07

Metal-air batteries continue to become attractive energy storage and conversion systems due to their high energy and power densities, safer chemistries, and economic viability. Semiconductor-air batteries - a term we first define here as metal-air batteries that use semiconductor anodes such as silicon (Si) and germanium (Ge) - have been introduced in recent years as new high-energy battery chemistries. In this paper, we describe the excellent doping-dependent discharge kinetics of p-type Ge anodes in a semiconductor-air cell employing a gelled KOH electrolyte. Owing to its Fermi level, n-type Ge is expected to have lower redox potential and better electronic conductivity, which could potentially lead to a higher operating voltage and better discharge kinetics. Nonetheless, discharge measurements demonstrated that this prediction is only valid at the low current regime and breaks down at the high current density region. The p-type Ge behaves extremely better at elevated currents, evident from the higher voltage, more power available, and larger practical energy density from a very long discharge time, possibly arising from the high overpotential for surface passivation. A primary semiconductor-air battery, powered by a flat p-type Ge as a multi-electron anode, exhibited an unprecedented full discharge capacity of 1302.5 mA h gGe(-1) (88% anode utilization efficiency), the highest among semiconductor-air cells, notably better than new metal-air cells with three-dimensional and nanostructured anodes, and at least two folds higher than commercial Zn-air and Al-air cells. We therefore suggest that this study be extended to doped-Si anodes, in order to pave the way for a deeper understanding on the discharge phenomena in alkaline metal-air conversion cells with semiconductor anodes for specific niche applications in the future.

Accelerator based fusion reactor

NASA Astrophysics Data System (ADS)

Liu, Keh-Fei; Chao, Alexander Wu

2017-08-01

A feasibility study of fusion reactors based on accelerators is carried out. We consider a novel scheme where a beam from the accelerator hits the target plasma on the resonance of the fusion reaction and establish characteristic criteria for a workable reactor. We consider the reactions d+t\\to n+α,d+{{}3}{{H}\\text{e}}\\to p+α , and p+{{}11}B\\to 3α in this study. The critical temperature of the plasma is determined from overcoming the stopping power of the beam with the fusion energy gain. The needed plasma lifetime is determined from the width of the resonance, the beam velocity and the plasma density. We estimate the critical beam flux by balancing the energy of fusion production against the plasma thermo-energy and the loss due to stopping power for the case of an inert plasma. The product of critical flux and plasma lifetime is independent of plasma density and has a weak dependence on temperature. Even though the critical temperatures for these reactions are lower than those for the thermonuclear reactors, the critical flux is in the range of {{10}22}-{{10}24}~\\text{c}{{\\text{m}}-2}~{{\\text{s}}-1} for the plasma density {ρt}={{10}15}~\\text{c}{{\\text{m}}-3} in the case of an inert plasma. Several approaches to control the growth of the two-stream instability are discussed. We have also considered several scenarios for practical implementation which will require further studies. Finally, we consider the case where the injected beam at the resonance energy maintains the plasma temperature and prolongs its lifetime to reach a steady state. The equations for power balance and particle number conservation are given for this case.

Polysulfide-Scission Reagents for the Suppression of the Shuttle Effect in Lithium-Sulfur Batteries.

PubMed

Hua, Wuxing; Yang, Zhi; Nie, Huagui; Li, Zhongyu; Yang, Jizhang; Guo, Zeqing; Ruan, Chunping; Chen, Xi'an; Huang, Shaoming

2017-02-28

Lithium-sulfur batteries have become an appealing candidate for next-generation energy-storage technologies because of their low cost and high energy density. However, one of their major practical problems is the high solubility of long-chain lithium polysulfides and their infamous shuttle effect, which causes low Coulombic efficiency and sulfur loss. Here, we introduced a concept involving the dithiothreitol (DTT) assisted scission of polysulfides into lithium-sulfur system. Our designed porous carbon nanotube/S cathode coupling with a lightweight graphene/DTT interlayer (PCNTs-S@Gra/DTT) exhibited ultrahigh cycle-ability even at 5 C over 1100 cycles, with a capacity degradation rate of 0.036% per cycle. Additionally, the PCNTs-S@Gra/DTT electrode with a 3.51 mg cm -2 sulfur mass loading delivered a high initial areal capacity of 5.29 mAh cm -2 (1509 mAh g -1 ) at current density of 0.58 mA cm -2 , and the reversible areal capacity of the cell was maintained at 3.45 mAh cm -2 (984 mAh g -1 ) over 200 cycles at a higher current density of 1.17 mA cm -2 . Employing this molecule scission principle offers a promising avenue to achieve high-performance lithium-sulfur batteries.

All 2D materials as electrodes for high power hybrid energy storage applications

NASA Astrophysics Data System (ADS)

Kato, Keiko; Sayed, Farheen N.; Babu, Ganguli; Ajayan, Pulickel M.

2018-04-01

Achieving both high energy and power densities from energy storage devices is a core strategy to meet the increasing demands of high performance portable electronics and electric transportation systems. Li-ion capacitor is a promising hybrid technology that strategically exploits high energy density from a Li-ion battery electrode and high power density from a supercapacitor electrode. However, the performance and safety of hybrid devices are still major concerns due to the use of graphite anodes which form passivation layers with organic electrolytes at lower potentials. Here, we explore 2D nanosheets as both anode and cathode electrodes to build a high power system without compromising energy density. Owing to the high electrical conductivity and multivalent redox activity at higher potentials, the Li-ion intercalation electrode is capable of maintaining large energy density at higher current rates with less safety risk than conventional systems. Hybrid devices consisting of all in all 2D electrodes deliver energy density as high as 121 Wh g-1 (at 240 W kg-1) and retains 29 Wh g-1 at high power density of 3600 W kg-1.

High energy density propulsion systems and small engine dynamometer

NASA Astrophysics Data System (ADS)

Hays, Thomas

2009-07-01

Scope and Method of Study. This study investigates all possible methods of powering small unmanned vehicles, provides reasoning for the propulsion system down select, and covers in detail the design and production of a dynamometer to confirm theoretical energy density calculations for small engines. Initial energy density calculations are based upon manufacturer data, pressure vessel theory, and ideal thermodynamic cycle efficiencies. Engine tests are conducted with a braking type dynamometer for constant load energy density tests, and show true energy densities in excess of 1400 WH/lb of fuel. Findings and Conclusions. Theory predicts lithium polymer, the present unmanned system energy storage device of choice, to have much lower energy densities than other conversion energy sources. Small engines designed for efficiency, instead of maximum power, would provide the most advantageous method for powering small unmanned vehicles because these engines have widely variable power output, loss of mass during flight, and generate rotational power directly. Theoretical predictions for the energy density of small engines has been verified through testing. Tested values up to 1400 WH/lb can be seen under proper operating conditions. The implementation of such a high energy density system will require a significant amount of follow-on design work to enable the engines to tolerate the higher temperatures of lean operation. Suggestions are proposed to enable a reliable, small-engine propulsion system in future work. Performance calculations show that a mature system is capable of month long flight times, and unrefueled circumnavigation of the globe.

Density functional theory calculations of the water interactions with ZrO2 nanoparticles Y2O3 doped

NASA Astrophysics Data System (ADS)

Subhoni, Mekhrdod; Kholmurodov, Kholmirzo; Doroshkevich, Aleksandr; Asgerov, Elmar; Yamamoto, Tomoyuki; Lyubchyk, Andrei; Almasan, Valer; Madadzada, Afag

2018-03-01

Development of a new electricity generation techniques is one of the most relevant tasks, especially nowadays under conditions of extreme growth in energy consumption. The exothermic heterogeneous electrochemical energy conversion to the electric energy through interaction of the ZrO2 based nanopowder system with atmospheric moisture is one of the ways of electric energy obtaining. The questions of conversion into the electric form of the energy of water molecules adsorption in 3 mol% Y2O3 doped ZrO2 nanopowder systems were investigated using the density functional theory calculations. The density functional theory calculations has been realized as in the Kohn-Sham formulation, where the exchange-correlation potential is approximated by a functional of the electronic density. The electronic density, total energy and band structure calculations are carried out using the all-electron, full potential, linear augmented plane wave method of the electronic density and related approximations, i.e. the local density, the generalized gradient and their hybrid approximations.

Electron dynamics in high energy density plasma bunch generation driven by intense picosecond laser pulse

NASA Astrophysics Data System (ADS)

Li, M.; Yuan, T.; Xu, Y. X.; Luo, S. N.

2018-05-01

When an intense picosecond laser pulse is loaded upon a dense plasma, a high energy density plasma bunch, including electron bunch and ion bunch, can be generated in the target. We simulate this process through one-dimensional particle-in-cell simulation and find that the electron bunch generation is mainly due to a local high energy density electron sphere originated in the plasma skin layer. Once generated the sphere rapidly expands to compress the surrounding electrons and induce high density electron layer, coupled with that, hot electrons are efficiently triggered in the local sphere and traveling in the whole target. Under the compressions of light pressure, forward-running and backward-running hot electrons, a high energy density electron bunch generates. The bunch energy density is as high as TJ/m3 order of magnitude in our conditions, which is significant in laser driven dynamic high pressure generation and may find applications in high energy density physics.

Chlorinated paraffins wrapping of carbon nanotubes: A theoretical investigation

NASA Astrophysics Data System (ADS)

Ding, Qiuyue; Ding, Ning; Chen, Xiangfeng; Wu, Chi-Man Lawrence

2018-04-01

How nanomaterials interact with pollutants is the central for understanding their environmental behavior and practical application. In this work, molecular dynamics (MD) and density functional theoretical (DFT) methods were used to investigated the influence of carbon chain length, degree of chlorination, chain configuration, and chirality of chlorinated paraffin (CP) and diameter of single-walled carbon nanotubes (SWNTs) on the interaction between CPs and SWNTs. The simulation results demonstrated that CP chain length and chlorination degree played considerably important roles in determining interaction strength between SWNTs and CPs. The interaction energies increased with increasing chain length and chlorination degree. The chirality of SWNT exerted negligible influence on the interaction energy between SWNTs and CPs. On the contrary, interaction energy increased with increasing radius of SWNTs due to the surface curvatures. This result was rationalized by considering the decrease in SWNT curvature with increasing radius, which resulted in plane-like CNT wall. The negligible influence of CP chain configurations was attributed to relative flexibility of CP carbon chains, which can wrap on tubes through conformational changes with low-energy barriers. MD results indicated that CPs could adsorb on SWNT surface rapidly in aqueous environment. Charge transfer and electronic density results indicated that the interaction between CPs and SWNTs was physisorption in nature. This work provides fundamental information regarding SWNTs as sorbents for CPs extraction and adsorptive removal from environmental water system.

Ambipolar zinc-polyiodide electrolyte for a high-energy density aqueous redox flow battery

PubMed Central

Li, Bin; Nie, Zimin; Vijayakumar, M.; Li, Guosheng; Liu, Jun; Sprenkle, Vincent; Wang, Wei

2015-01-01

Redox flow batteries are receiving wide attention for electrochemical energy storage due to their unique architecture and advantages, but progress has so far been limited by their low energy density (~25 Wh l−1). Here we report a high-energy density aqueous zinc-polyiodide flow battery. Using the highly soluble iodide/triiodide redox couple, a discharge energy density of 167 Wh l−1 is demonstrated with a near-neutral 5.0 M ZnI2 electrolyte. Nuclear magnetic resonance study and density functional theory-based simulation along with flow test data indicate that the addition of an alcohol (ethanol) induces ligand formation between oxygen on the hydroxyl group and the zinc ions, which expands the stable electrolyte temperature window to from −20 to 50 °C, while ameliorating the zinc dendrite. With the high-energy density and its benign nature free from strong acids and corrosive components, zinc-polyiodide flow battery is a promising candidate for various energy storage applications. PMID:25709083

Ambipolar zinc-polyiodide electrolyte for a high-energy density aqueous redox flow battery.

PubMed

Li, Bin; Nie, Zimin; Vijayakumar, M; Li, Guosheng; Liu, Jun; Sprenkle, Vincent; Wang, Wei

2015-02-24

Redox flow batteries are receiving wide attention for electrochemical energy storage due to their unique architecture and advantages, but progress has so far been limited by their low energy density (~25 Wh l(-1)). Here we report a high-energy density aqueous zinc-polyiodide flow battery. Using the highly soluble iodide/triiodide redox couple, a discharge energy density of 167 Wh l(-1) is demonstrated with a near-neutral 5.0 M ZnI2 electrolyte. Nuclear magnetic resonance study and density functional theory-based simulation along with flow test data indicate that the addition of an alcohol (ethanol) induces ligand formation between oxygen on the hydroxyl group and the zinc ions, which expands the stable electrolyte temperature window to from -20 to 50 °C, while ameliorating the zinc dendrite. With the high-energy density and its benign nature free from strong acids and corrosive components, zinc-polyiodide flow battery is a promising candidate for various energy storage applications.

Single-particle energies and density of states in density functional theory

NASA Astrophysics Data System (ADS)

van Aggelen, H.; Chan, G. K.-L.

2015-07-01

Time-dependent density functional theory (TD-DFT) is commonly used as the foundation to obtain neutral excited states and transition weights in DFT, but does not allow direct access to density of states and single-particle energies, i.e. ionisation energies and electron affinities. Here we show that by extending TD-DFT to a superfluid formulation, which involves operators that break particle-number symmetry, we can obtain the density of states and single-particle energies from the poles of an appropriate superfluid response function. The standard Kohn- Sham eigenvalues emerge as the adiabatic limit of the superfluid response under the assumption that the exchange- correlation functional has no dependence on the superfluid density. The Kohn- Sham eigenvalues can thus be interpreted as approximations to the ionisation energies and electron affinities. Beyond this approximation, the formalism provides an incentive for creating a new class of density functionals specifically targeted at accurate single-particle eigenvalues and bandgaps.

Effects of reduced dietary energy and amino acid density on Pectoralis major myopathies in broiler chickens at 36 and 49 days of age1.

PubMed

Meloche, K J; Fancher, B I; Emmerson, D A; Bilgili, S F; Dozier, W A

2018-05-01

Two experiments (Exp) were conducted to determine if reductions in the incidence and severity of wooden breast (WB) and white striping (WS) may be obtained by reducing dietary nutrient density. In each Exp, Yield Plus × Ross 708 male broiler chicks were placed into 63 pens (22 birds/pen). All birds received an identical prestarter diet until 7 d of age, after which time each pen was randomly assigned to 1 of the following 7 dietary treatments (TRT) for the starter (8 to 14 d), grower (15 to 24 d), finisher 1 (Exp 1: 26 to 35 d; Exp 2: 26 to 42 d), and withdrawal (Exp 2: 43 to 48 d) phases: 1) 100% of primary breeder recommendations for digestible amino acid and metabolizable energy density throughout Exp; 2) 95% of TRT 1 until 14 d of age, then as TRT 1; 3) 95% of TRT 1 until 24 d of age, then as TRT 1; 4) 95% of TRT 1 throughout Exp; 5) 90% of TRT 1 until 14 d of age, then as TRT 1; 6) 90% of TRT 1 until 24 d of age, then as TRT 1; 7) 90% of TRT 1 throughout Exp. At 36 d (Exp 1) and 49 d (Exp 2), 18 birds per pen were processed and evaluated for WS and WB. In Exp 1, reduced dietary density in the starter phase (TRT 2 and TRT 5) resulted in increased (P ≤ 0.05) incidences of severe WB (32.9% and 34.7%) relative to TRT 1 (18.2%). In Exp 2, broilers assigned to TRT 7 had reduced (P < 0.01) incidences of severe WB (20.8%) and WS (42.3%) relative to the control (WB: 36.5%; WS: 64.5%). In both Exp, plasma creatine kinase and lactate dehydrogenase increased (P ≤ 0.05) with increasing scores for WB and WS. Reducing dietary nutrient density from 8 to 14 d may exacerbate fillet myopathies in broilers reared to 35 d of age. Although reducing dietary energy and amino acid density to 90% of recommendations from 1 to 48 d reduced the severity of myopathies, these reductions occurred with compromises in live performance. Altogether, these results indicated that concurrent manipulation of dietary amino acid and energy density is not a viable practical solution for breast myopathies.

Rational Design of Self-Supported Ni3S2 Nanosheets Array for Advanced Asymmetric Supercapacitor with a Superior Energy Density.

PubMed

Chen, Jun Song; Guan, Cao; Gui, Yang; Blackwood, Daniel John

2017-01-11

We report a rationally designed two-step method to fabricate self-supported Ni 3 S 2 nanosheet arrays. We first used 2-methylimidazole (2-MI), an organic molecule commonly served as organic linkers in metal-organic frameworks (MOFs), to synthesize an α-Ni(OH) 2 nanosheet array as a precursor, followed by its hydrothermal sulfidization into Ni 3 S 2 . The resulting Ni 3 S 2 nanosheet array demonstrated superior supercapacitance properties, with a very high capacitance of about 1,000 F g -1 being delivered at a high current density of 50 A g -1 for 20,000 charge-discharge cycles. This performance is unparalleled by other reported nickel sulfide-based supercapacitors and is also advantageous compared to other nickel-based materials such as NiO and Ni(OH) 2 . An asymmetric supercapacitor was then established, exhibiting a very stable capacitance of about 200 F g -1 at a high current density of 10 A g -1 for 10,000 cycles and a surprisingly high energy density of 202 W h kg -1 . This value is comparable to that of the lithium-ion batteries, i.e., 180 W h kg -1 . The potential of the material for practical applications was evaluated by building a quasi-solid-state asymmetric supercapacitor which showed good flexibility and power output, and two of these devices connected in series were able to power up 18 green light-emitting diodes.

Predicted energy densitites for nickel-hydrogen and silver-hydrogen cells embodying metallic hydrides for hydrogen storage

NASA Technical Reports Server (NTRS)

Easter, R. W.

1974-01-01

Simplified design concepts were used to estimate gravimetric and volumetric energy densities for metal hydrogen battery cells for assessing the characteristics of cells containing metal hydrides as compared to gaseous storage cells, and for comparing nickel cathode and silver cathode systems. The silver cathode was found to yield superior energy densities in all cases considered. The inclusion of hydride forming materials yields cells with very high volumetric energy densities that also retain gravimetric energy densities nearly as high as those of gaseous storage cells.

Ultra-Deep Bone Diagnostics with Fat-Skin Overlayers Using New Pulsed Photothermal Radar

NASA Astrophysics Data System (ADS)

Sreekumar, K.; Mandelis, A.

2013-09-01

The constraints imposed by the laser safety (maximum permissible exposure) ceiling on pump laser energy and the strong attenuation of thermal-wave signals in tissues significantly limit the photothermally active depth in most biological specimens to a level which is normally insufficient for practical applications (a few mm below the skin surface). A theoretical approach for improvement of the signal-to-noise ratio (SNR), minimizing the static (dc) component of the photothermal (PT) signal and making use of the PT radiometric nonlinearity has been introduced. At low frequencies fixed-pulse-width chirps of large peak power were found to be superior to all other equal energy modalities, with an SNR improvement by up to two orders of magnitude. Compared to radar peak delay and amplitude, the long-delayed radar output amplitude is found to be more sensitive to subsurface conditions. Two-dimensional spatial plots of this parameter depicting the back-surface conditions of bones with and without fat tissue overlayers are presented. Pulsed-chirp radar thermography has been demonstrated to monitor the degree of demineralization in goat rib bone with a substantial SNR and spatial resolution that is not practicable with harmonic radars of the same energy density.

Spectral optimization for measuring electron density by the dual-energy computed tomography coupled with balanced filter method.

PubMed

Saito, Masatoshi

2009-08-01

Dual-energy computed tomography (DECT) has the potential for measuring electron density distribution in a human body to predict the range of particle beams for treatment planning in proton or heavy-ion radiotherapy. However, thus far, a practical dual-energy method that can be used to precisely determine electron density for treatment planning in particle radiotherapy has not been developed. In this article, another DECT technique involving a balanced filter method using a conventional x-ray tube is described. For the spectral optimization of DECT using balanced filters, the author calculates beam-hardening error and air kerma required to achieve a desired noise level in electron density and effective atomic number images of a cylindrical water phantom with 50 cm diameter. The calculation enables the selection of beam parameters such as tube voltage, balanced filter material, and its thickness. The optimized parameters were applied to cases with different phantom diameters ranging from 5 to 50 cm for the calculations. The author predicts that the optimal combination of tube voltages would be 80 and 140 kV with Tb/Hf and Bi/Mo filter pairs for the 50-cm-diameter water phantom. When a single phantom calibration at a diameter of 25 cm was employed to cover all phantom sizes, maximum absolute beam-hardening errors were 0.3% and 0.03% for electron density and effective atomic number, respectively, over a range of diameters of the water phantom. The beam-hardening errors were 1/10 or less as compared to those obtained by conventional DECT, although the dose was twice that of the conventional DECT case. From the viewpoint of beam hardening and the tube-loading efficiency, the present DECT using balanced filters would be significantly more effective in measuring the electron density than the conventional DECT. Nevertheless, further developments of low-exposure imaging technology should be necessary as well as x-ray tubes with higher outputs to apply DECT coupled with the balanced filter method for clinical use.

Association between Dietary Energy Density and Incident Type 2 Diabetes in the Women's Health Initiative.

PubMed

Hingle, Melanie D; Wertheim, Betsy C; Neuhouser, Marian L; Tinker, Lesley F; Howard, Barbara V; Johnson, Karen; Liu, Simin; Phillips, Lawrence S; Qi, Lihong; Sarto, Gloria; Turner, Tami; Waring, Molly E; Thomson, Cynthia A

2017-05-01

Dietary energy density, or energy available in relation to gram intake, can inform disease risk. The objective of this study was to investigate the association between baseline dietary energy density and risk of incident type 2 diabetes in postmenopausal women. Dietary energy density, weight status, and type 2 diabetes incidence were prospectively characterized in a large cohort of postmenopausal women participating in one or more clinical trials or an observational study. The study involved 161,808 postmenopausal women recruited to the Women's Health Initiative observational study or clinical trials at 40 centers across the United States between 1993 and 1998. The primary outcome was incident type 2 diabetes. The association between dietary energy density quintiles and incident diabetes was tested using Cox proportional hazards regression. A total of 143,204 participants without self-reported diabetes at enrollment completed baseline dietary assessment and were followed for 12.7±4.6 years. Risk of diabetes developing was 24% greater for women in the highest dietary energy density quintile compared with the lowest after adjusting for confounders (95% CI 1.17 to 1.32). Body mass index (calculated as kg/m 2 ) and waist circumference mediated the relationship between dietary energy density and diabetes. In waist circumference-stratified analysis, women in dietary energy density quintiles 2 to 5 with waist circumferences >88 cm were at 9% to 12% greater risk of diabetes developing compared with women with waist circumference ≤88 cm. In this prospective study, a higher baseline dietary energy density was associated with higher incidence of type 2 diabetes among postmenopausal women, both overall, and in women with elevated waist circumference. Copyright © 2017 Academy of Nutrition and Dietetics. Published by Elsevier Inc. All rights reserved.

Polyquant CT: direct electron and mass density reconstruction from a single polyenergetic source

NASA Astrophysics Data System (ADS)

Mason, Jonathan H.; Perelli, Alessandro; Nailon, William H.; Davies, Mike E.

2017-11-01

Quantifying material mass and electron density from computed tomography (CT) reconstructions can be highly valuable in certain medical practices, such as radiation therapy planning. However, uniquely parameterising the x-ray attenuation in terms of mass or electron density is an ill-posed problem when a single polyenergetic source is used with a spectrally indiscriminate detector. Existing approaches to single source polyenergetic modelling often impose consistency with a physical model, such as water-bone or photoelectric-Compton decompositions, which will either require detailed prior segmentation or restrictive energy dependencies, and may require further calibration to the quantity of interest. In this work, we introduce a data centric approach to fitting the attenuation with piecewise-linear functions directly to mass or electron density, and present a segmentation-free statistical reconstruction algorithm for exploiting it, with the same order of complexity as other iterative methods. We show how this allows both higher accuracy in attenuation modelling, and demonstrate its superior quantitative imaging, with numerical chest and metal implant data, and validate it with real cone-beam CT measurements.

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

DOE PAGES

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

2017-11-20

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

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

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

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

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

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

Probing the nuclear symmetry energy at high densities with nuclear reactions

NASA Astrophysics Data System (ADS)

Leifels, Y.

2017-11-01

The nuclear equation of state is a topic of highest current interest in nuclear structure and reactions as well as in astrophysics. The symmetry energy is the part of the equation of state which is connected to the asymmetry in the neutron/proton content. During recent years a multitude of experimental and theoretical efforts on different fields have been undertaken to constraint its density dependence at low densities but also above saturation density (ρ_0=0.16 fm ^{-3} . Conventionally the symmetry energy is described by its magnitude S_v and the slope parameter L , both at saturation density. Values of L = 44 -66MeV and S_v=31 -33MeV have been deduced in recent compilations of nuclear structure, heavy-ion reaction and astrophysics data. Apart from astrophysical data on mass and radii of neutron stars, heavy-ion reactions at incident energies of several 100MeV are the only means do access the high density behaviour of the symmetry energy. In particular, meson production and collective flows upto about 1 AGeV are predicted to be sensitive to the slope of the symmetry energy as a function of density. From the measurement of elliptic flow of neutrons with respect to charged particles at GSI, a more stringent constraint for the slope of the symmetry energy at supra-saturation densities has been deduced. Future options to reach even higher densities will be discussed.

A Novel Creep-Fatigue Life Prediction Model for P92 Steel on the Basis of Cyclic Strain Energy Density

NASA Astrophysics Data System (ADS)

Ji, Dongmei; Ren, Jianxing; Zhang, Lai-Chang

2016-11-01

A novel creep-fatigue life prediction model was deduced based on an expression of the strain energy density in this study. In order to obtain the expression of the strain energy density, the load-controlled creep-fatigue (CF) tests of P92 steel at 873 K were carried out. Cyclic strain of P92 steel under CF load was divided into elastic strain, applying and unloading plastic strain, creep strain, and anelastic strain. Analysis of cyclic strain indicates that the damage process of P92 steel under CF load consists of three stages, similar to pure creep. According to the characteristics of the strains above, an expression was defined to describe the strain energy density for each cycle. The strain energy density at stable stage is inversely proportional to the total strain energy density dissipated by P92 steel. However, the total strain energy densities under different test conditions are proportional to the fatigue life. Therefore, the expression of the strain energy density at stable stage was chosen to predict the fatigue life. The CF experimental data on P92 steel were employed to verify the rationality of the novel model. The model obtained from the load-controlled CF test of P92 steel with short holding time could predict the fatigue life of P92 steel with long holding time.

Improvement in Fruit and Vegetable Consumption Associated with More Favorable Energy Density and Nutrient and Food Group Intake, but not Kilocalories.

PubMed

Thompson, Debbe; Ferry, Robert J; Cullen, Karen W; Liu, Yan

2016-09-01

Children generally do not consume adequate amounts of fruits and vegetables (F/V). Eating more F/V can improve energy density and overall diet quality. Our aim was to investigate whether improvements in F/V consumption were associated with improvements in energy density, total calories, and dietary components related to F/V. We performed secondary analyses of dietary data from a successful four-group randomized controlled trial promoting F/V. Data were collected at baseline, immediately after gameplay, and 3 months post intervention. Preadolescent child-parent dyads (n=400) were recruited. Eligibility criteria were 4th- or 5th-grade child (approximately 9 to 11 years old) with Internet access and a parent willing to participate in the intervention. Complete dietary data were collected on 387 of the 400 child participants. The videogame was available online on a secure, password-protected website. Dietary intake was assessed with three unannounced dietary recalls collected at each data-collection period via telephone by trained staff using Nutrition Data System for Research software. Energy density and F/V, nutrient, and food consumption were calculated. A 4×3 (group by time) repeated measures analysis of covariance with mixed-effect linear models was used. Covariates included child's sex, race/ethnicity, and total energy intake as well as parent's age and household education. Energy was excluded as a covariate in the energy density and energy models. Significant changes occurred in energy density. A significant interaction (group by time) was observed (F6, 515=2.40; P<0.05) in energy density from food only, while a significant time effect was observed for energy density from all foods and beverages (F2, 388=13.75; P<0.0001). Desirable changes were also observed in F/V-related dietary components. Increasing F/V consumption improved energy density and diet quality considerably in preadolescent children. Copyright © 2016 Academy of Nutrition and Dietetics. Published by Elsevier Inc. All rights reserved.

On the equilibrium charge density at tilt grain boundaries

NASA Astrophysics Data System (ADS)

Srikant, V.; Clarke, D. R.

1998-05-01

The equilibrium charge density and free energy of tilt grain boundaries as a function of their misorientation is computed using a Monte Carlo simulation that takes into account both the electrostatic and configurational energies associated with charges at the grain boundary. The computed equilibrium charge density increases with the grain-boundary angle and approaches a saturation value. The equilibrium charge density at large-angle grain boundaries compares well with experimental values for large-angle tilt boundaries in GaAs. The computed grain-boundary electrostatic energy is in agreement with the analytical solution to a one-dimensional Poisson equation at high donor densities but indicates that the analytical solution overestimates the electrostatic energy at lower donor densities.

Codoping of zinc and tungsten for practical high-performance amorphous indium-based oxide thin film transistors

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

Kizu, Takio, E-mail: KIZU.Takio@nims.go.jp, E-mail: TSUKAGOSHI.Kazuhito@nims.go.jp; Mitoma, Nobuhiko; Tsukagoshi, Kazuhito, E-mail: KIZU.Takio@nims.go.jp, E-mail: TSUKAGOSHI.Kazuhito@nims.go.jp

2015-09-28

Using practical high-density sputtering targets, we investigated the effect of Zn and W codoping on the thermal stability of the amorphous film and the electrical characteristics in thin film transistors. zinc oxide is a potentially conductive component while W oxide is an oxygen vacancy suppressor in oxide films. The oxygen vacancy from In-O and Zn-O was suppressed by the W additive because of the high oxygen bond dissociation energy. With controlled codoping of W and Zn, we demonstrated a high mobility with a maximum mobility of 40 cm{sup 2}/V s with good stability under a negative bias stress in InWZnO thinmore » film transistors.« less

Electric energy production by particle thermionic-thermoelectric power generators

NASA Technical Reports Server (NTRS)

Oettinger, P. E.

1980-01-01

Thermionic-thermoelectric power generators, composed of a thin layer of porous, low work function material separating a heated emitter electrode and a cooler collector electrode, have extremely large Seebeck coefficients of over 2 mV/K and can provide significant output power. Preliminary experiments with 20-micron thick (Ba Sr Ca)O coatings, limited by evaporative loss to temperatures below 1400 K, have yielded short circuit current densities of 500 mA/sq cm and power densities of 60 mW/ sq cm. Substantially more output is expected with cesium-coated refractory oxide particle coatings operating at higher temperatures. Practical generators will have thermal-to-electrical efficiencies of 10 to 20%. Further increases can be gained by cascading these high-temperature devices with lower temperature conventional thermoelectric generators.

High-density magnetoresistive random access memory operating at ultralow voltage at room temperature.

PubMed

Hu, Jia-Mian; Li, Zheng; Chen, Long-Qing; Nan, Ce-Wen

2011-11-22

The main bottlenecks limiting the practical applications of current magnetoresistive random access memory (MRAM) technology are its low storage density and high writing energy consumption. Although a number of proposals have been reported for voltage-controlled memory device in recent years, none of them simultaneously satisfy the important device attributes: high storage capacity, low power consumption and room temperature operation. Here we present, using phase-field simulations, a simple and new pathway towards high-performance MRAMs that display significant improvements over existing MRAM technologies or proposed concepts. The proposed nanoscale MRAM device simultaneously exhibits ultrahigh storage capacity of up to 88 Gb inch(-2), ultralow power dissipation as low as 0.16 fJ per bit and room temperature high-speed operation below 10 ns.

High-density magnetoresistive random access memory operating at ultralow voltage at room temperature

PubMed Central

Hu, Jia-Mian; Li, Zheng; Chen, Long-Qing; Nan, Ce-Wen

2011-01-01

The main bottlenecks limiting the practical applications of current magnetoresistive random access memory (MRAM) technology are its low storage density and high writing energy consumption. Although a number of proposals have been reported for voltage-controlled memory device in recent years, none of them simultaneously satisfy the important device attributes: high storage capacity, low power consumption and room temperature operation. Here we present, using phase-field simulations, a simple and new pathway towards high-performance MRAMs that display significant improvements over existing MRAM technologies or proposed concepts. The proposed nanoscale MRAM device simultaneously exhibits ultrahigh storage capacity of up to 88 Gb inch−2, ultralow power dissipation as low as 0.16 fJ per bit and room temperature high-speed operation below 10 ns. PMID:22109527

Spectator electric fields, de Sitter spacetime, and the Schwinger effect

NASA Astrophysics Data System (ADS)

Giovannini, Massimo

2018-03-01

During a de Sitter stage of expansion, the spectator fields of different spin are constrained by the critical density bound and by further requirements determined by their specific physical nature. The evolution of spectator electric fields in conformally flat background geometries is occasionally concocted by postulating the existence of ad hoc currents, but this apparently innocuous trick violates the second law of thermodynamics. Such a problem occurs, in particular, for those configurations (customarily employed for the analysis of the Schwinger effect in four-dimensional de Sitter backgrounds) leading to an electric energy density which is practically unaffected by the expansion of the underlying geometry. The obtained results are compared with more mundane situations where Joule heating develops in the early stages of a quasi-de Sitter phase.

Nonaqueous Hybrid Lithium-Ion and Sodium-Ion Capacitors.

PubMed

Wang, Huanwen; Zhu, Changrong; Chao, Dongliang; Yan, Qingyu; Fan, Hong Jin

2017-12-01

Hybrid metal-ion capacitors (MICs) (M stands for Li or Na) are designed to deliver high energy density, rapid energy delivery, and long lifespan. The devices are composed of a battery anode and a supercapacitor cathode, and thus become a tradeoff between batteries and supercapacitors. In the past two decades, tremendous efforts have been put into the search for suitable electrode materials to overcome the kinetic imbalance between the battery-type anode and the capacitor-type cathode. Recently, some transition-metal compounds have been found to show pseudocapacitive characteristics in a nonaqueous electrolyte, which makes them interesting high-rate candidates for hybrid MIC anodes. Here, the material design strategies in Li-ion and Na-ion capacitors are summarized, with a focus on pseudocapacitive oxide anodes (Nb 2 O 5 , MoO 3 , etc.), which provide a new opportunity to obtain a higher power density of the hybrid devices. The application of Mxene as an anode material of MICs is also discussed. A perspective to the future research of MICs toward practical applications is proposed to close. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The computer simulation of automobile use patterns for defining battery requirements for electric cars

NASA Technical Reports Server (NTRS)

Schwartz, H. J.

1976-01-01

A Monte Carlo simulation process was used to develop the U.S. daily range requirements for an electric vehicle from probability distributions of trip lengths and frequencies and average annual mileage data. The analysis shows that a car in the U.S. with a practical daily range of 82 miles (132 km) can meet the needs of the owner on 95% of the days of the year, or at all times other than his long vacation trips. Increasing the range of the vehicle beyond this point will not make it more useful to the owner because it will still not provide intercity transportation. A daily range of 82 miles can be provided by an intermediate battery technology level characterized by an energy density of 30 to 50 watt-hours per pound (66 to 110 W-hr/kg). Candidate batteries in this class are nickel-zinc, nickel-iron, and iron-air. The implication of these results for the research goals of far-term battery systems suggests a shift in emphasis toward lower cost and greater life and away from high energy density.

Reaction chemistry in rechargeable Li-O2 batteries.

PubMed

Lim, Hee-Dae; Lee, Byungju; Bae, Youngjoon; Park, Hyeokjun; Ko, Youngmin; Kim, Haegyeom; Kim, Jinsoo; Kang, Kisuk

2017-05-22

The seemingly simple reaction of Li-O 2 batteries involving lithium and oxygen makes this chemistry attractive for high-energy-density storage systems; however, achieving this reaction in practical rechargeable Li-O 2 batteries has proven difficult. The reaction paths leading to the final Li 2 O 2 discharge products can be greatly affected by the operating conditions or environment, which often results in major side reactions. Recent research findings have begun to reveal how the reaction paths may be affected by the surrounding conditions and to uncover the factors contributing to the difficulty in achieving the reactions of lithium and oxygen. This progress report describes the current state of understanding of the electrode reaction mechanisms in Li-O 2 batteries; the factors that affect reaction pathways; and the effect of cell components such as solvents, salts, additives, and catalysts on the discharge product and its decomposition during charging. This comprehensive review of the recent progress in understanding the reaction chemistry of the Li-O 2 system will serve as guidelines for future research and aid in the development of reliable high-energy-density rechargeable Li-O 2 batteries.

The solar polar radio telescope mission: an overview

NASA Astrophysics Data System (ADS)

Sun, Weiying; Zhang, Cheng; Zheng, Jianhua; Wu, Ji; Wang, C. B.; Wang, Chi; Wang, S.

: The solar polar orbit telescope (SPORT) is a mission proposed for the observation of ICMEs. The main payload is a synthetic aperture radiometer working at meter wave band taking images of the high density interplanetary plasma clouds formed by ICMEs and follows the propagation if it from the surface of the Sun all the way to as far as 0.5 AU or even further. With such a capability of observation, also the SPORT will study transient high energy phenomenon, the magnetic topology, temperature and density as well as velocity of the solar wind in the inner interplanetary heliosphere. In the practical part, the mission is also very useful for space weather forecast in advance of the geo-storm events. Other instruments are also selected to be on board of the solar polar orbit mission for in-situ measurement, such as fluxgate magnetometer, solar wind ion detector and high energy particle detectors. In this paper, we describe the scientific objective, basic principles and feasibility of the interferometric radiometer, general mission design and the status of the SPORT mission.

[Intelligent watch system for health monitoring based on Bluetooth low energy technology].

PubMed

Wang, Ji; Guo, Hailiang; Ren, Xiaoli

2017-08-01

According to the development status of wearable technology and the demand of intelligent health monitoring, we studied the multi-function integrated smart watches solution and its key technology. First of all, the sensor technology with high integration density, Bluetooth low energy (BLE) and mobile communication technology were integrated and used in develop practice. Secondly, for the hardware design of the system in this paper, we chose the scheme with high integration density and cost-effective computer modules and chips. Thirdly, we used real-time operating system FreeRTOS to develop the friendly graphical interface interacting with touch screen. At last, the high-performance application software which connected with BLE hardware wirelessly and synchronized data was developed based on android system. The function of this system included real-time calendar clock, telephone message, address book management, step-counting, heart rate and sleep quality monitoring and so on. Experiments showed that the collecting data accuracy of various sensors, system data transmission capacity, the overall power consumption satisfy the production standard. Moreover, the system run stably with low power consumption, which could realize intelligent health monitoring effectively.

One-Dimensional Assembly of Conductive and Capacitive Metal Oxide Electrodes for High-Performance Asymmetric Supercapacitors.

PubMed

Harilal, Midhun; Vidyadharan, Baiju; Misnon, Izan Izwan; Anilkumar, Gopinathan M; Lowe, Adrian; Ismail, Jamil; Yusoff, Mashitah M; Jose, Rajan

2017-03-29

A one-dimensional morphology comprising nanograins of two metal oxides, one with higher electrical conductivity (CuO) and the other with higher charge storability (Co 3 O 4 ), is developed by electrospinning technique. The CuO-Co 3 O 4 nanocomposite nanowires thus formed show high specific capacitance, high rate capability, and high cycling stability compared to their single-component nanowire counterparts when used as a supercapacitor electrode. Practical symmetric (SSCs) and asymmetric (ASCs) supercapacitors are fabricated using commercial activated carbon, CuO, Co 3 O 4 , and CuO-Co 3 O 4 composite nanowires, and their properties are compared. A high energy density of ∼44 Wh kg -1 at a power density of 14 kW kg -1 is achieved in CuO-Co 3 O 4 ASCs employing aqueous alkaline electrolytes, enabling them to store high energy at a faster rate. The current methodology of hybrid nanowires of various functional materials could be applied to extend the performance limit of diverse electrical and electrochemical devices.

A Novel Layered Sedimentary Rocks Structure of the Oxygen-Enriched Carbon for Ultrahigh-Rate-Performance Supercapacitors.

PubMed

Zhang, Lin-Lin; Li, Huan-Huan; Shi, Yan-Hong; Fan, Chao-Ying; Wu, Xing-Long; Wang, Hai-Feng; Sun, Hai-Zhu; Zhang, Jing-Ping

2016-02-17

In this paper, gelatin as a natural biomass was selected to successfully prepare an oxygen-enriched carbon with layered sedimentary rocks structure, which exhibited ultrahigh-rate performance and excellent cycling stability as supercapacitors. The specific capacitance reached 272.6 F g(-1) at 1 A g(-1) and still retained 197.0 F g(-1) even at 100 A g(-1) (with high capacitance retention of 72.3%). The outstanding electrochemical performance resulted from the special layered structure with large surface area (827.8 m(2) g(-1)) and high content of oxygen (16.215 wt %), which effectively realized the synergistic effects of the electrical double-layer capacitance and pseudocapacitance. Moreover, it delivered an energy density of 25.3 Wh kg(-1) even with a high power density of 34.7 kW kg(-1) and ultralong cycling stability (with no capacitance decay even over 10,000 cycles at 2 A g(-1)) in a symmetric supercapacitor, which are highly desirable for their practical application in energy storage devices and conversion.

Significantly Enhanced Energy Storage Density by Modulating the Aspect Ratio of BaTiO3 Nanofibers

PubMed Central

Zhang, Dou; Zhou, Xuefan; Roscow, James; Zhou, Kechao; Wang, Lu; Luo, Hang; Bowen, Chris R.

2017-01-01

There is a growing need for high energy density capacitors in modern electric power supplies. The creation of nanocomposite systems based on one-dimensional nanofibers has shown great potential in achieving a high energy density since they can optimize the energy density by exploiting both the high permittivity of ceramic fillers and the high breakdown strength of the polymer matrix. In this paper, BaTiO3 nanofibers (NFs) with different aspect ratio were synthesized by a two-step hydrothermal method and the permittivity and energy storage of the P(VDF-HFP) nanocomposites were investigated. It is found that as the BaTiO3 NF aspect ratio and volume fraction increased the permittivity and maximum electric displacement of the nanocomposites increased, while the breakdown strength decreased. The nanocomposites with the highest aspect ratio BaTiO3 NFs exhibited the highest energy storage density at the same electric field. However, the nanocomposites with the lowest aspect ratio BaTiO3 NFs achieved the maximal energy storage density of 15.48 J/cm3 due to its higher breakdown strength. This contribution provides a potential route to prepare and tailor the properties of high energy density capacitor nanocomposites. PMID:28332636

Significantly Enhanced Energy Storage Density by Modulating the Aspect Ratio of BaTiO3 Nanofibers

NASA Astrophysics Data System (ADS)

Zhang, Dou; Zhou, Xuefan; Roscow, James; Zhou, Kechao; Wang, Lu; Luo, Hang; Bowen, Chris R.

2017-03-01

There is a growing need for high energy density capacitors in modern electric power supplies. The creation of nanocomposite systems based on one-dimensional nanofibers has shown great potential in achieving a high energy density since they can optimize the energy density by exploiting both the high permittivity of ceramic fillers and the high breakdown strength of the polymer matrix. In this paper, BaTiO3 nanofibers (NFs) with different aspect ratio were synthesized by a two-step hydrothermal method and the permittivity and energy storage of the P(VDF-HFP) nanocomposites were investigated. It is found that as the BaTiO3 NF aspect ratio and volume fraction increased the permittivity and maximum electric displacement of the nanocomposites increased, while the breakdown strength decreased. The nanocomposites with the highest aspect ratio BaTiO3 NFs exhibited the highest energy storage density at the same electric field. However, the nanocomposites with the lowest aspect ratio BaTiO3 NFs achieved the maximal energy storage density of 15.48 J/cm3 due to its higher breakdown strength. This contribution provides a potential route to prepare and tailor the properties of high energy density capacitor nanocomposites.

Significantly Enhanced Energy Storage Density by Modulating the Aspect Ratio of BaTiO3 Nanofibers.

PubMed

Zhang, Dou; Zhou, Xuefan; Roscow, James; Zhou, Kechao; Wang, Lu; Luo, Hang; Bowen, Chris R

2017-03-23

There is a growing need for high energy density capacitors in modern electric power supplies. The creation of nanocomposite systems based on one-dimensional nanofibers has shown great potential in achieving a high energy density since they can optimize the energy density by exploiting both the high permittivity of ceramic fillers and the high breakdown strength of the polymer matrix. In this paper, BaTiO 3 nanofibers (NFs) with different aspect ratio were synthesized by a two-step hydrothermal method and the permittivity and energy storage of the P(VDF-HFP) nanocomposites were investigated. It is found that as the BaTiO 3 NF aspect ratio and volume fraction increased the permittivity and maximum electric displacement of the nanocomposites increased, while the breakdown strength decreased. The nanocomposites with the highest aspect ratio BaTiO 3 NFs exhibited the highest energy storage density at the same electric field. However, the nanocomposites with the lowest aspect ratio BaTiO 3 NFs achieved the maximal energy storage density of 15.48 J/cm 3 due to its higher breakdown strength. This contribution provides a potential route to prepare and tailor the properties of high energy density capacitor nanocomposites.

Energy storage device with large charge separation

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

Holme, Timothy P.; Prinz, Friedrich B.; Iancu, Andrei T.

High density energy storage in semiconductor devices is provided. There are two main aspects of the present approach. The first aspect is to provide high density energy storage in semiconductor devices based on formation of a plasma in the semiconductor. The second aspect is to provide high density energy storage based on charge separation in a p-n junction.

Energy storage device with large charge separation

DOEpatents

Holme, Timothy P.; Prinz, Friedrich B.; Iancu, Andrei

2016-04-12

High density energy storage in semiconductor devices is provided. There are two main aspects of the present approach. The first aspect is to provide high density energy storage in semiconductor devices based on formation of a plasma in the semiconductor. The second aspect is to provide high density energy storage based on charge separation in a p-n junction.

Performance comparison of an active matrix flat panel imager, computed radiography system, and a screen-film system at four standard radiation qualities.

PubMed

Monnin, P; Gutierrez, D; Bulling, S; Lepori, D; Valley, J F; Verdun, F R

2005-02-01

Four standard radiation qualities (from RQA 3 to RQA 9) were used to compare the imaging performance of a computed radiography (CR) system (general purpose and high resolution phosphor plates of a Kodak CR 9000 system), a selenium-based direct flat panel detector (Kodak Direct View DR 9000), and a conventional screen-film system (Kodak T-MAT L/RA film with a 3M Trimax Regular screen of speed 400) in conventional radiography. Reference exposure levels were chosen according to the manufacturer's recommendations to be representative of clinical practice (exposure index of 1700 for digital systems and a film optical density of 1.4). With the exception of the RQA 3 beam quality, the exposure levels needed to produce a mean digital signal of 1700 were higher than those needed to obtain a mean film optical density of 1.4. In spite of intense developments in the field of digital detectors, screen-film systems are still very efficient detectors for most of the beam qualities used in radiology. An important outcome of this study is the behavior of the detective quantum efficiency of the digital radiography (DR) system as a function of beam energy. The practice of users to increase beam energy when switching from a screen-film system to a CR system, in order to improve the compromise between patient dose and image quality, might not be appropriate when switching from screen-film to selenium-based DR systems.

Proton and neutron density distributions at supranormal density in low- and medium-energy heavy-ion collisions

NASA Astrophysics Data System (ADS)

Stone, J. R.; Danielewicz, P.; Iwata, Y.

2017-07-01

Background: The distribution of protons and neutrons in the matter created in heavy-ion collisions is one of the main points of interest for the collision physics, especially at supranormal densities. These distributions are the basis for predictions of the density dependence of the symmetry energy and the density range that can be achieved in a given colliding system. We report results of the first systematic simulation of proton and neutron density distributions in central heavy-ion collisions within the beam energy range of Ebeam≤800 MeV /nucl . The symmetric 40Ca+40Ca , 48Ca+48Ca , 100Sn+100Sn , and 120Sn+120Sn and asymmetric 40Ca+48Ca and 100Sn+120Sn systems were chosen for the simulations. Purpose: We simulate development of proton and neutron densities and asymmetries as a function of initial state, beam energy, and system size in the selected collisions in order to guide further experiments pursuing the density dependence of the symmetry energy. Methods: The Boltzmann-Uhlenbeck-Uehling (pBUU) transport model with four empirical models for the density dependence of the symmetry energy was employed. Results of simulations using pure Vlasov dynamics were added for completeness. In addition, the time-dependent Hartree-Fock (TDHF) model, with the SV-bas Skyrme interaction, was used to model the heavy-ion collisions at Ebeam≤40 MeV /nucl . Maximum proton and neutron densities ρpmax and ρnmax, reached in the course of a collision, were determined from the time evolution of ρp and ρn. Results: The highest total densities predicted at Ebeam=800 MeV /nucl . were of the order of ˜2.5 ρ0 (ρ0=0.16 fm-3 ) for both Sn and Ca systems. They were found to be only weakly dependent on the initial conditions, beam energy, system size, and a model of the symmetry energy. The proton-neutron asymmetry δ =(ρnmax-ρpmax) /(ρnmax+ρpmax) at maximum density does depend, though, on these parameters. The highest value of δ found in all systems and at all investigated beam energies was ˜0.17 . Conclusions: We find that the initial state, beam energy, system size, and a symmetry energy model affect very little the maximum proton and neutron densities, but have a subtle impact on the proton-neutron asymmetry. Most importantly, the variations in the proton-neutron asymmetry at maximum densities are related at most at 50% level to the details in the symmetry energy at supranormal density. The reminder is due to the details in the symmetry energy at subnormal densities and proton and neutron distributions in the initial state. This result brings to the forefront the need for a proper initialization of the nuclei in the simulation, but also brings up the question of microscopy, such as shell effects, that affect initial proton and neutron densities, but cannot be consistently incorporated into semiclassical transport models.

Low Li+ Insertion Barrier Carbon for High Energy Efficient Lithium-Ion Capacitor.

PubMed

Lee, Wee Siang Vincent; Huang, Xiaolei; Tan, Teck Leong; Xue, Jun Min

2018-01-17

Lithium-ion capacitor (LIC) is an attractive energy-storage device (ESD) that promises high energy density at moderate power density. However, the key challenge in its design is the low energy efficient negative electrode, which barred the realization of such research system in fulfilling the current ESD technological inadequacy due to its poor overall energy efficiency. Large voltage hysteresis is the main issue behind high energy density alloying/conversion-type materials, which reduces the electrode energy efficiency. Insertion-type material though averted in most research due to the low capacity remains to be highly favorable in commercial application due to its lower voltage hysteresis. To further reduce voltage hysteresis and increase capacity, amorphous carbon with wider interlayer spacing has been demonstrated in the simulation result to significantly reduce Li + insertion barrier. Hence, by employing such amorphous carbon, together with disordered carbon positive electrode, a high energy efficient LIC with round-trip energy efficiency of 84.3% with a maximum energy density of 133 Wh kg -1 at low power density of 210 W kg -1 can be achieved.

Development of a High Energy Density Capacitor for Plasma Thrusters.

DTIC Science & Technology

1980-10-01

AD-A091 839 MAXWELL LAOS INC SAN DIEGO CA FIG 81/3 DEVELOPMENT OF A HIGH ENERGY DENSITY CAPACITOR FOR PLASMA THRUS--ETC(U) OCT 80 A RAMRUS FO*611-77...of the program was the investigation of certain capacitor impregnants and their influence on high energy density capacitors which are employed in...PERIOD 1704,60~ 13 DEVELOPMENT OF A HIGH ENERGY DENSITY CAPA- Final Technical Report CITOR FOR PLASMA THRUSTERS July 1977 - May 1980 6 PERFORMING

Regenerative braking systems with torsional springs made of carbon nanotube yarn

NASA Astrophysics Data System (ADS)

Liu, S.; Martin, C.; Lashmore, D.; Schauer, M.; Livermore, C.

2014-11-01

The demonstration of large stroke, high energy density and high power density torsional springs based on carbon nanotube (CNT) yarns is reported, as well as their application as an energy-storing actuator for regenerative braking systems. Originally untwisted CNT yarn is cyclically loaded and unloaded in torsion, with the maximum rotation angle increasing until failure. The maximum extractable energy density is measured to be as high as 6.13 kJ/kg. The tests also reveal structural reorganization and hysteresis in the torsional loading curves. A regenerative braking system is built to capture the kinetic energy of a wheel and store it as elastic energy in twisted CNT yarns. When the yam's twist is released, the stored energy reaccelerates the wheel. The measured energy and mean power densities of the CNT yarns in the simple regenerative braking system are up to 4.69 kJ/kg and 1.21 kW/kg, respectively. A slightly lower energy density of up to 1.23 kJ/kg and a 0.29 kW/kg mean power density are measured for the CNT yarns in a more complex system that mimics a unidirectional rotating regenerative braking mechanism. The lower energy densities for CNT yarns in the regenerative braking systems as compared with the yarns themselves reflect the frictional losses of the regenerative systems.

Scalable Synthesis of Freestanding Sandwich-structured Graphene/Polyaniline/Graphene Nanocomposite Paper for Flexible All-Solid-State Supercapacitor

NASA Astrophysics Data System (ADS)

Xiao, Fei; Yang, Shengxiong; Zhang, Zheye; Liu, Hongfang; Xiao, Junwu; Wan, Lian; Luo, Jun; Wang, Shuai; Liu, Yunqi

2015-03-01

We reported a scalable and modular method to prepare a new type of sandwich-structured graphene-based nanohybrid paper and explore its practical application as high-performance electrode in flexible supercapacitor. The freestanding and flexible graphene paper was firstly fabricated by highly reproducible printing technique and bubbling delamination method, by which the area and thickness of the graphene paper can be freely adjusted in a wide range. The as-prepared graphene paper possesses a collection of unique properties of highly electrical conductivity (340 S cm-1), light weight (1 mg cm-2) and excellent mechanical properties. In order to improve its supercapacitive properties, we have prepared a unique sandwich-structured graphene/polyaniline/graphene paper by in situ electropolymerization of porous polyaniline nanomaterials on graphene paper, followed by wrapping an ultrathin graphene layer on its surface. This unique design strategy not only circumvents the low energy storage capacity resulting from the double-layer capacitor of graphene paper, but also enhances the rate performance and cycling stability of porous polyaniline. The as-obtained all-solid-state symmetric supercapacitor exhibits high energy density, high power density, excellent cycling stability and exceptional mechanical flexibility, demonstrative of its extensive potential applications for flexible energy-related devices and wearable electronics.

A lithium–oxygen battery with a long cycle life in an air-like atmosphere

NASA Astrophysics Data System (ADS)

Asadi, Mohammad; Sayahpour, Baharak; Abbasi, Pedram; Ngo, Anh T.; Karis, Klas; Jokisaari, Jacob R.; Liu, Cong; Narayanan, Badri; Gerard, Marc; Yasaei, Poya; Hu, Xuan; Mukherjee, Arijita; Lau, Kah Chun; Assary, Rajeev S.; Khalili-Araghi, Fatemeh; Klie, Robert F.; Curtiss, Larry A.; Salehi-Khojin, Amin

2018-03-01

Lithium–air batteries are considered to be a potential alternative to lithium-ion batteries for transportation applications, owing to their high theoretical specific energy. So far, however, such systems have been largely restricted to pure oxygen environments (lithium–oxygen batteries) and have a limited cycle life owing to side reactions involving the cathode, anode and electrolyte. In the presence of nitrogen, carbon dioxide and water vapour, these side reactions can become even more complex. Moreover, because of the need to store oxygen, the volumetric energy densities of lithium–oxygen systems may be too small for practical applications. Here we report a system comprising a lithium carbonate-based protected anode, a molybdenum disulfide cathode and an ionic liquid/dimethyl sulfoxide electrolyte that operates as a lithium–air battery in a simulated air atmosphere with a long cycle life of up to 700 cycles. We perform computational studies to provide insight into the operation of the system in this environment. This demonstration of a lithium–oxygen battery with a long cycle life in an air-like atmosphere is an important step towards the development of this field beyond lithium-ion technology, with a possibility to obtain much higher specific energy densities than for conventional lithium-ion batteries.

Scalable Synthesis of Freestanding Sandwich-structured Graphene/Polyaniline/Graphene Nanocomposite Paper for Flexible All-Solid-State Supercapacitor

PubMed Central

Xiao, Fei; Yang, Shengxiong; Zhang, Zheye; Liu, Hongfang; Xiao, Junwu; Wan, Lian; Luo, Jun; Wang, Shuai; Liu, Yunqi

2015-01-01

We reported a scalable and modular method to prepare a new type of sandwich-structured graphene-based nanohybrid paper and explore its practical application as high-performance electrode in flexible supercapacitor. The freestanding and flexible graphene paper was firstly fabricated by highly reproducible printing technique and bubbling delamination method, by which the area and thickness of the graphene paper can be freely adjusted in a wide range. The as-prepared graphene paper possesses a collection of unique properties of highly electrical conductivity (340 S cm−1), light weight (1 mg cm−2) and excellent mechanical properties. In order to improve its supercapacitive properties, we have prepared a unique sandwich-structured graphene/polyaniline/graphene paper by in situ electropolymerization of porous polyaniline nanomaterials on graphene paper, followed by wrapping an ultrathin graphene layer on its surface. This unique design strategy not only circumvents the low energy storage capacity resulting from the double-layer capacitor of graphene paper, but also enhances the rate performance and cycling stability of porous polyaniline. The as-obtained all-solid-state symmetric supercapacitor exhibits high energy density, high power density, excellent cycling stability and exceptional mechanical flexibility, demonstrative of its extensive potential applications for flexible energy-related devices and wearable electronics. PMID:25797022

A lithium-oxygen battery with a long cycle life in an air-like atmosphere.

PubMed

Asadi, Mohammad; Sayahpour, Baharak; Abbasi, Pedram; Ngo, Anh T; Karis, Klas; Jokisaari, Jacob R; Liu, Cong; Narayanan, Badri; Gerard, Marc; Yasaei, Poya; Hu, Xuan; Mukherjee, Arijita; Lau, Kah Chun; Assary, Rajeev S; Khalili-Araghi, Fatemeh; Klie, Robert F; Curtiss, Larry A; Salehi-Khojin, Amin

2018-03-21

Lithium-air batteries are considered to be a potential alternative to lithium-ion batteries for transportation applications, owing to their high theoretical specific energy. So far, however, such systems have been largely restricted to pure oxygen environments (lithium-oxygen batteries) and have a limited cycle life owing to side reactions involving the cathode, anode and electrolyte. In the presence of nitrogen, carbon dioxide and water vapour, these side reactions can become even more complex. Moreover, because of the need to store oxygen, the volumetric energy densities of lithium-oxygen systems may be too small for practical applications. Here we report a system comprising a lithium carbonate-based protected anode, a molybdenum disulfide cathode and an ionic liquid/dimethyl sulfoxide electrolyte that operates as a lithium-air battery in a simulated air atmosphere with a long cycle life of up to 700 cycles. We perform computational studies to provide insight into the operation of the system in this environment. This demonstration of a lithium-oxygen battery with a long cycle life in an air-like atmosphere is an important step towards the development of this field beyond lithium-ion technology, with a possibility to obtain much higher specific energy densities than for conventional lithium-ion batteries.

Analysis of recovery efficiency in high-temperature aquifer thermal energy storage: a Rayleigh-based method

NASA Astrophysics Data System (ADS)

Schout, Gilian; Drijver, Benno; Gutierrez-Neri, Mariene; Schotting, Ruud

2014-01-01

High-temperature aquifer thermal energy storage (HT-ATES) is an important technique for energy conservation. A controlling factor for the economic feasibility of HT-ATES is the recovery efficiency. Due to the effects of density-driven flow (free convection), HT-ATES systems applied in permeable aquifers typically have lower recovery efficiencies than conventional (low-temperature) ATES systems. For a reliable estimation of the recovery efficiency it is, therefore, important to take the effect of density-driven flow into account. A numerical evaluation of the prime factors influencing the recovery efficiency of HT-ATES systems is presented. Sensitivity runs evaluating the effects of aquifer properties, as well as operational variables, were performed to deduce the most important factors that control the recovery efficiency. A correlation was found between the dimensionless Rayleigh number (a measure of the relative strength of free convection) and the calculated recovery efficiencies. Based on a modified Rayleigh number, two simple analytical solutions are proposed to calculate the recovery efficiency, each one covering a different range of aquifer thicknesses. The analytical solutions accurately reproduce all numerically modeled scenarios with an average error of less than 3 %. The proposed method can be of practical use when considering or designing an HT-ATES system.

Scalable synthesis of freestanding sandwich-structured graphene/polyaniline/graphene nanocomposite paper for flexible all-solid-state supercapacitor.

PubMed

Xiao, Fei; Yang, Shengxiong; Zhang, Zheye; Liu, Hongfang; Xiao, Junwu; Wan, Lian; Luo, Jun; Wang, Shuai; Liu, Yunqi

2015-03-23

We reported a scalable and modular method to prepare a new type of sandwich-structured graphene-based nanohybrid paper and explore its practical application as high-performance electrode in flexible supercapacitor. The freestanding and flexible graphene paper was firstly fabricated by highly reproducible printing technique and bubbling delamination method, by which the area and thickness of the graphene paper can be freely adjusted in a wide range. The as-prepared graphene paper possesses a collection of unique properties of highly electrical conductivity (340 S cm(-1)), light weight (1 mg cm(-2)) and excellent mechanical properties. In order to improve its supercapacitive properties, we have prepared a unique sandwich-structured graphene/polyaniline/graphene paper by in situ electropolymerization of porous polyaniline nanomaterials on graphene paper, followed by wrapping an ultrathin graphene layer on its surface. This unique design strategy not only circumvents the low energy storage capacity resulting from the double-layer capacitor of graphene paper, but also enhances the rate performance and cycling stability of porous polyaniline. The as-obtained all-solid-state symmetric supercapacitor exhibits high energy density, high power density, excellent cycling stability and exceptional mechanical flexibility, demonstrative of its extensive potential applications for flexible energy-related devices and wearable electronics.

Interdependence of different symmetry energy elements

NASA Astrophysics Data System (ADS)

Mondal, C.; Agrawal, B. K.; De, J. N.; Samaddar, S. K.; Centelles, M.; Viñas, X.

2017-08-01

Relations between the nuclear symmetry energy coefficient and its density derivatives are derived. The relations hold for a class of interactions with quadratic momentum dependence and a power-law density dependence. The structural connection between the different symmetry energy elements as obtained seems to be followed by almost all reasonable nuclear energy density functionals, both relativistic and nonrelativistic, suggesting a universality in the correlation structure. This, coupled with known values of some well-accepted constants related to nuclear matter, helps in constraining values of different density derivatives of the nuclear symmetry energy, shedding light on the isovector part of the nuclear interaction.

Time-frequency energy density precipitation method for time-of-flight extraction of narrowband Lamb wave detection signals

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

Zhang, Y., E-mail: thuzhangyu@foxmail.com; Huang, S. L., E-mail: huangsling@tsinghua.edu.cn; Wang, S.

The time-of-flight of the Lamb wave provides an important basis for defect evaluation in metal plates and is the input signal for Lamb wave tomographic imaging. However, the time-of-flight can be difficult to acquire because of the Lamb wave dispersion characteristics. This work proposes a time-frequency energy density precipitation method to accurately extract the time-of-flight of narrowband Lamb wave detection signals in metal plates. In the proposed method, a discrete short-time Fourier transform is performed on the narrowband Lamb wave detection signals to obtain the corresponding discrete time-frequency energy density distribution. The energy density values at the center frequency formore » all discrete time points are then calculated by linear interpolation. Next, the time-domain energy density curve focused on that center frequency is precipitated by least squares fitting of the calculated energy density values. Finally, the peak times of the energy density curve obtained relative to the initial pulse signal are extracted as the time-of-flight for the narrowband Lamb wave detection signals. An experimental platform is established for time-of-flight extraction of narrowband Lamb wave detection signals, and sensitivity analysis of the proposed time-frequency energy density precipitation method is performed in terms of propagation distance, dispersion characteristics, center frequency, and plate thickness. For comparison, the widely used Hilbert–Huang transform method is also implemented for time-of-flight extraction. The results show that the time-frequency energy density precipitation method can accurately extract the time-of-flight with relative error of <1% and thus can act as a universal time-of-flight extraction method for narrowband Lamb wave detection signals.« less

Time-frequency energy density precipitation method for time-of-flight extraction of narrowband Lamb wave detection signals.

PubMed

Zhang, Y; Huang, S L; Wang, S; Zhao, W

2016-05-01

The time-of-flight of the Lamb wave provides an important basis for defect evaluation in metal plates and is the input signal for Lamb wave tomographic imaging. However, the time-of-flight can be difficult to acquire because of the Lamb wave dispersion characteristics. This work proposes a time-frequency energy density precipitation method to accurately extract the time-of-flight of narrowband Lamb wave detection signals in metal plates. In the proposed method, a discrete short-time Fourier transform is performed on the narrowband Lamb wave detection signals to obtain the corresponding discrete time-frequency energy density distribution. The energy density values at the center frequency for all discrete time points are then calculated by linear interpolation. Next, the time-domain energy density curve focused on that center frequency is precipitated by least squares fitting of the calculated energy density values. Finally, the peak times of the energy density curve obtained relative to the initial pulse signal are extracted as the time-of-flight for the narrowband Lamb wave detection signals. An experimental platform is established for time-of-flight extraction of narrowband Lamb wave detection signals, and sensitivity analysis of the proposed time-frequency energy density precipitation method is performed in terms of propagation distance, dispersion characteristics, center frequency, and plate thickness. For comparison, the widely used Hilbert-Huang transform method is also implemented for time-of-flight extraction. The results show that the time-frequency energy density precipitation method can accurately extract the time-of-flight with relative error of <1% and thus can act as a universal time-of-flight extraction method for narrowband Lamb wave detection signals.

Regulating energy transfer of excited carriers and the case for excitation-induced hydrogen dissociation on hydrogenated graphene

PubMed Central

Bang, Junhyeok; Meng, Sheng; Sun, Yi-Yang; West, Damien; Wang, Zhiguo; Gao, Fei; Zhang, S. B.

2013-01-01

Understanding and controlling of excited carrier dynamics is of fundamental and practical importance, particularly in photochemistry and solar energy applications. However, theory of energy relaxation of excited carriers is still in its early stage. Here, using ab initio molecular dynamics (MD) coupled with time-dependent density functional theory, we show a coverage-dependent energy transfer of photoexcited carriers in hydrogenated graphene, giving rise to distinctively different ion dynamics. Graphene with sparsely populated H is difficult to dissociate due to inefficient transfer of the excitation energy into kinetic energy of the H. In contrast, H can easily desorb from fully hydrogenated graphane. The key is to bring down the H antibonding state to the conduction band minimum as the band gap increases. These results can be contrasted to those of standard ground-state MD that predict H in the sparse case should be much less stable than that in fully hydrogenated graphane. Our findings thus signify the importance of carrying out explicit electronic dynamics in excited-state simulations. PMID:23277576

Anode-Free Rechargeable Lithium Metal Batteries

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

Qian, Jiangfeng; Adams, Brian D.; Zheng, Jianming

2016-08-18

Anode-free rechargeable lithium (Li) batteries (AFLBs) are phenomenal energy storage systems due to their significantly increased energy density and reduced cost relative to Li-ion batteries, as well as ease of assembly owing to the absence of an active (reactive) anode material. However, significant challenges, including Li dendrite growth and low cycling Coulombic efficiency (CE), have prevented their practical implementation. Here, we report for the first time an anode-free rechargeable lithium battery based on a Cu||LiFePO4 cell structure with an extremely high CE (> 99.8%). This results from the utilization of both an exceptionally stable electrolyte and optimized charge/discharge protocols whichmore » minimize the corrosion of the in-situ formed Li metal anode.« less

Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFT

NASA Astrophysics Data System (ADS)

Vuckovic, Stefan; Levy, Mel; Gori-Giorgi, Paola

2017-12-01

The augmented potential introduced by Levy and Zahariev [Phys. Rev. Lett. 113, 113002 (2014)] is shifted with respect to the standard exchange-correlation potential of the Kohn-Sham density functional theory by a density-dependent constant that makes the total energy become equal to the sum of the occupied orbital energies. In this work, we analyze several features of this approach, focusing on the limit of infinite coupling strength and studying the shift and the corresponding energy density at different correlation regimes. We present and discuss coordinate scaling properties of the augmented potential, study its connection to the response potential, and use the shift to analyze the classical jellium and uniform gas models. We also study other definitions of the energy densities in relation to the functional construction by local interpolations along the adiabatic connection. Our findings indicate that the energy density that is defined in terms of the electrostatic potential of the exchange-correlation hole is particularly well suited for this purpose.

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

PubMed

Eich, F G; Hellgren, Maria

2014-12-14

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

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

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

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

2014-12-14

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

Development of biologically modified anodes for energy harvesting using microbial fuel cells

NASA Astrophysics Data System (ADS)

Sumner, James J.; Ganguli, Rahul; Chmelka, Brad

2012-06-01

Biological fuel cells hold promise as an alternative energy source to batteries for unattended ground sensor applications due to the fact that they can be extremely long lived. This lifetime can be extended over batteries by scavenging fuel from the deployed environment. Microbial fuel cells (MFC) are one class of such sources that produce usable energy from small organic compounds (i.e. sugars, alcohols, organic acids, and biopolymers) which can be easily containerized or scavenged from the environment. The use of microorganisms as the anodic catalysts is what makes these systems unique from other biofuel cell designs. One of the main drawbacks of engineering a sensor system powered by an MFC is that power densities and current flux are extremely low in currently reported systems. The power density is limited by the mass transfer of the fuel source to the catalyst, the metabolism of the microbial catalysts and the electron transfer from the organism to the anode. This presentation will focus on the development of a new style of microbially-modified anodes which will increase power density to a level where a practical power source can be engineered. This is being achieved by developing a three dimensional matrix as an artificial, conductive biofilm. These artificial biofilms will allow the capture of a consortium of microbes designed for efficient metabolism of the available fuel source. Also it will keep the microbes close to the electrode allowing ready access by fuel and providing a low resistance passage of the liberated electrons from fuel oxidation.

High Performance and Economic Supercapacitors for Energy Storage Based on Carbon Nanomaterials

NASA Astrophysics Data System (ADS)

Samuilov, Vladimir; Farshid, Behzad; Frenkel, Alexander; Sensor CAT at Stony Brook Team

2015-03-01

We designed and manufactured very inexpensive prototypes of supercapacitors for energy storage based on carbon nanomaterials comprised of: reduced graphene oxide (RGOs) and carbon nanotubes (CNTs) as electrodes filled with polymer gel electrolytes. The electrochemical properties of supercapacitors made using these materials were compared and analyzed. A significant tradeoff between the energy density and the power density was determined; RGO electrodes demonstrated the highest energy density, while composite RGO/CNT electrodes showed the highest power density. The thickness of the RGO electrode was varied to determine its effect on the power density of the supercapacitor and results showed that with decreasing electrode thickness power density would increase. The specific capacitances of over 600 F/g were observed.

High-Potential Metalless Nanocarbon Foam Supercapacitors Operating in Aqueous Electrolyte.

PubMed

Liu, Chueh; Li, Changling; Ahmed, Kazi; Mutlu, Zafer; Lee, Ilkeun; Zaera, Francisco; Ozkan, Cengiz S; Ozkan, Mihrimah

2018-04-01

Light-weight graphite foam decorated with carbon nanotubes (dia. 20-50 nm) is utilized as an effective electrode without binders, conductive additives, or metallic current collectors for supercapacitors in aqueous electrolyte. Facile nitric acid treatment renders wide operating potentials, high specific capacitances and energy densities, and long lifespan over 10 000 cycles manifested as 164.5 and 111.8 F g -1 , 22.85 and 12.58 Wh kg -1 , 74.6% and 95.6% capacitance retention for 2 and 1.8 V, respectively. Overcharge protection is demonstrated by repetitive cycling between 2 and 2.5 V for 2000 cycles without catastrophic structural demolition or severe capacity fading. Graphite foam without metallic strut possessing low density (≈0.4-0.45 g cm -3 ) further reduces the total weight of the electrode. The thorough investigation of the specific capacitances and coulombic efficiencies versus potential windows and current densities provides insights into the selection of operation conditions for future practical devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Proton elastic scattering from stable and unstable nuclei - Extraction of nuclear densities

NASA Astrophysics Data System (ADS)

Sakaguchi, H.; Zenihiro, J.

2017-11-01

Progress in proton elastic scattering at intermediate energies to determine nuclear density distributions is reviewed. After challenges of about 15 years to explain proton elastic scattering and associated polarization phenomena at intermediate energies, we have reached to some conclusions regarding proton elastic scattering as a means of obtaining nuclear densities. During this same period, physics of unstable nuclei has become of interest, and the density distributions of protons and neutrons play more important roles in unstable nuclei, since the differences in proton and neutron numbers and densities are expected to be significant. As such, proton elastic scattering experiments at intermediate energies using the inverse kinematic method have started to determine density distributions of unstable nuclei. In the region of unstable nuclei, we are confronted with a new problem when attempting to find proton and neutron densities separately from elastic proton scattering data, since electron scattering data for unstable nuclei are not presently available. We introduce a new means of determining proton and neutron densities separately by double-energy proton elastic scattering at intermediate energies.

Metalloid Aluminum Clusters with Fluorine

DTIC Science & Technology

2016-12-01

molecular dynamics, binding energy , siesta code, density of states, projected density of states 15. NUMBER OF PAGES 69 16. PRICE CODE 17. SECURITY...high energy density compared to explosives, but typically release this energy slowly via diffusion-limited combustion. There is recent interest in using...examine the cluster binding energy and electronic structure. Partial fluorine substitution in a prototypical aluminum-cyclopentadienyl cluster results

High Discharge Energy Density at Low Electric Field Using an Aligned Titanium Dioxide/Lead Zirconate Titanate Nanowire Array.

PubMed

Zhang, Dou; Liu, Weiwei; Guo, Ru; Zhou, Kechao; Luo, Hang

2018-02-01

Polymer-based capacitors with high energy density have attracted significant attention in recent years due to their wide range of potential applications in electronic devices. However, the obtained high energy density is predominantly dependent on high applied electric field, e.g., 400-600 kV mm -1 , which may bring more challenges relating to the failure probability. Here, a simple two-step method for synthesizing titanium dioxide/lead zirconate titanate nanowire arrays is exploited and a demonstration of their ability to achieve high discharge energy density capacitors for low operating voltage applications is provided. A high discharge energy density of 6.9 J cm -3 is achieved at low electric fields, i.e., 143 kV mm -1 , which is attributed to the high relative permittivity of 218.9 at 1 kHz and high polarization of 23.35 µC cm -2 at this electric field. The discharge energy density obtained in this work is the highest known for a ceramic/polymer nanocomposite at such a low electric field. The novel nanowire arrays used in this work are applicable to a wide range of fields, such as energy harvesting, energy storage, and photocatalysis.

Spin-Multiplet Components and Energy Splittings by Multistate Density Functional Theory.

PubMed

Grofe, Adam; Chen, Xin; Liu, Wenjian; Gao, Jiali

2017-10-05

Kohn-Sham density functional theory has been tremendously successful in chemistry and physics. Yet, it is unable to describe the energy degeneracy of spin-multiplet components with any approximate functional. This work features two contributions. (1) We present a multistate density functional theory (MSDFT) to represent spin-multiplet components and to determine multiplet energies. MSDFT is a hybrid approach, taking advantage of both wave function theory and density functional theory. Thus, the wave functions, electron densities and energy density-functionals for ground and excited states and for different components are treated on the same footing. The method is illustrated on valence excitations of atoms and molecules. (2) Importantly, a key result is that for cases in which the high-spin components can be determined separately by Kohn-Sham density functional theory, the transition density functional in MSDFT (which describes electronic coupling) can be defined rigorously. The numerical results may be explored to design and optimize transition density functionals for configuration coupling in multiconfigurational DFT.

A Low-Cost Neutral Zinc-Iron Flow Battery with High Energy Density for Stationary Energy Storage.

PubMed

Xie, Congxin; Duan, Yinqi; Xu, Wenbin; Zhang, Huamin; Li, Xianfeng

2017-11-20

Flow batteries (FBs) are one of the most promising stationary energy-storage devices for storing renewable energy. However, commercial progress of FBs is limited by their high cost and low energy density. A neutral zinc-iron FB with very low cost and high energy density is presented. By using highly soluble FeCl 2 /ZnBr 2 species, a charge energy density of 56.30 Wh L -1 can be achieved. DFT calculations demonstrated that glycine can combine with iron to suppress hydrolysis and crossover of Fe 3+ /Fe 2+ . The results indicated that an energy efficiency of 86.66 % can be obtained at 40 mA cm -2 and the battery can run stably for more than 100 cycles. Furthermore, a low-cost porous membrane was employed to lower the capital cost to less than $ 50 per kWh, which was the lowest value that has ever been reported. Combining the features of low cost, high energy density and high energy efficiency, the neutral zinc-iron FB is a promising candidate for stationary energy-storage applications. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Density-based Energy Decomposition Analysis for Intermolecular Interactions with Variationally Determined Intermediate State Energies

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

Wu, Q.; Ayers, P.W.; Zhang, Y.

2009-10-28

The first purely density-based energy decomposition analysis (EDA) for intermolecular binding is developed within the density functional theory. The most important feature of this scheme is to variationally determine the frozen density energy, based on a constrained search formalism and implemented with the Wu-Yang algorithm [Q. Wu and W. Yang, J. Chem. Phys. 118, 2498 (2003) ]. This variational process dispenses with the Heitler-London antisymmetrization of wave functions used in most previous methods and calculates the electrostatic and Pauli repulsion energies together without any distortion of the frozen density, an important fact that enables a clean separation of these twomore » terms from the relaxation (i.e., polarization and charge transfer) terms. The new EDA also employs the constrained density functional theory approach [Q. Wu and T. Van Voorhis, Phys. Rev. A 72, 24502 (2005)] to separate out charge transfer effects. Because the charge transfer energy is based on the density flow in real space, it has a small basis set dependence. Applications of this decomposition to hydrogen bonding in the water dimer and the formamide dimer show that the frozen density energy dominates the binding in these systems, consistent with the noncovalent nature of the interactions. A more detailed examination reveals how the interplay of electrostatics and the Pauli repulsion determines the distance and angular dependence of these hydrogen bonds.« less

Higher order alchemical derivatives from coupled perturbed self-consistent field theory.

PubMed

Lesiuk, Michał; Balawender, Robert; Zachara, Janusz

2012-01-21

We present an analytical approach to treat higher order derivatives of Hartree-Fock (HF) and Kohn-Sham (KS) density functional theory energy in the Born-Oppenheimer approximation with respect to the nuclear charge distribution (so-called alchemical derivatives). Modified coupled perturbed self-consistent field theory is used to calculate molecular systems response to the applied perturbation. Working equations for the second and the third derivatives of HF/KS energy are derived. Similarly, analytical forms of the first and second derivatives of orbital energies are reported. The second derivative of Kohn-Sham energy and up to the third derivative of Hartree-Fock energy with respect to the nuclear charge distribution were calculated. Some issues of practical calculations, in particular the dependence of the basis set and Becke weighting functions on the perturbation, are considered. For selected series of isoelectronic molecules values of available alchemical derivatives were computed and Taylor series expansion was used to predict energies of the "surrounding" molecules. Predicted values of energies are in unexpectedly good agreement with the ones computed using HF/KS methods. Presented method allows one to predict orbital energies with the error less than 1% or even smaller for valence orbitals. © 2012 American Institute of Physics

Breast-feeding and adherence to infant feeding guidelines do not influence bone mass at age 4 years.

PubMed

Harvey, Nicholas C; Robinson, Sian M; Crozier, Sarah R; Marriott, Lynne D; Gale, Catharine R; Cole, Zoe A; Inskip, Hazel M; Godfrey, Keith M; Cooper, Cyrus

2009-09-01

The impact of variations in current infant feeding practice on bone mineral accrual is not known. We examined the associations between duration of breast-feeding and compliance with infant dietary guidelines and later bone size and density at age 4 years. At total of 599 (318 boys) mother-child pairs were recruited from the Southampton Women's Survey. Duration of breast-feeding was recorded and infant diet was assessed at 6 and 12 months using FFQ. At 6 and 12 months the most important dietary pattern, defined by principal component analysis, was characterised by high consumption of vegetables, fruits and home-prepared foods. As this was consistent with infant feeding recommendations, it was denoted the 'infant guidelines' pattern. At age 4 years, children underwent assessment of whole-body bone size and density using a Hologic Discovery dual-energy X-ray absorptiometry instrument. Correlation methods were used to explore the relationships between infant dietary variables and bone mineral. There was no association between duration of breast-feeding in the first year of life and 4-year bone size or density. 'Infant guidelines' pattern scores at 6 and 12 months were also unrelated to bone mass at age 4 years. We observed wide variations in current infant feeding practice, but these variations were not associated with differences in childhood bone mass at age 4 years.

Time-dependent density functional theory with twist-averaged boundary conditions

NASA Astrophysics Data System (ADS)

Schuetrumpf, B.; Nazarewicz, W.; Reinhard, P.-G.

2016-05-01

Background: Time-dependent density functional theory is widely used to describe excitations of many-fermion systems. In its many applications, three-dimensional (3D) coordinate-space representation is used, and infinite-domain calculations are limited to a finite volume represented by a spatial box. For finite quantum systems (atoms, molecules, nuclei, hadrons), the commonly used periodic or reflecting boundary conditions introduce spurious quantization of the continuum states and artificial reflections from boundary; hence, an incorrect treatment of evaporated particles. Purpose: The finite-volume artifacts for finite systems can be practically cured by invoking an absorbing potential in a certain boundary region sufficiently far from the described system. However, such absorption cannot be applied in the calculations of infinite matter (crystal electrons, quantum fluids, neutron star crust), which suffer from unphysical effects stemming from a finite computational box used. Here, twist-averaged boundary conditions (TABC) have been used successfully to diminish the finite-volume effects. In this work, we extend TABC to time-dependent modes. Method: We use the 3D time-dependent density functional framework with the Skyrme energy density functional. The practical calculations are carried out for small- and large-amplitude electric dipole and quadrupole oscillations of 16O. We apply and compare three kinds of boundary conditions: periodic, absorbing, and twist-averaged. Results: Calculations employing absorbing boundary conditions (ABC) and TABC are superior to those based on periodic boundary conditions. For low-energy excitations, TABC and ABC variants yield very similar results. With only four twist phases per spatial direction in TABC, one obtains an excellent reduction of spurious fluctuations. In the nonlinear regime, one has to deal with evaporated particles. In TABC, the floating nucleon gas remains in the box; the amount of nucleons in the gas is found to be roughly the same as the number of absorbed particles in ABC. Conclusion: We demonstrate that by using TABC, one can reduce finite-volume effects drastically without adding any additional parameters associated with absorption at large distances. Moreover, TABC are an obvious choice for time-dependent calculations for infinite systems. Since TABC calculations for different twists can be performed independently, the method is trivially adapted to parallel computing.

Coaxial CoMoO4 nanowire arrays with chemically integrated conductive coating for high-performance flexible all-solid-state asymmetric supercapacitors

NASA Astrophysics Data System (ADS)

Chen, Yaping; Liu, Borui; Liu, Qi; Wang, Jun; Li, Zhanshuang; Jing, Xiaoyan; Liu, Lianhe

2015-09-01

Flexible all-solid-state supercapacitors have offered promising applications as novel energy storage devices based on their merits, such as small size, low cost, light weight and high wearability for high-performance portable electronics. However, one major challenge to make flexible all-solid-state supercapacitors depends on the improvement of electrode materials with higher electrical conductivity properties and longer cycling stability. In this article, we put forward a simple strategy to in situ synthesize 1D CoMoO4 nanowires (NWs), using highly conductive CC and an electrically conductive PPy wrapping layer on CoMoO4 NW arrays for high performance electrode materials. The results show that the CoMoO4/PPy hybrid NW electrode exhibits a high areal specific capacitance of ca. 1.34 F cm-2 at a current density of 2 mA cm-2, which is remarkably better than the corresponding values for a pure CoMoO4 NW electrode of 0.7 F cm-2. An excellent cycling performance of nanocomposites of up to 95.2% (ca. 1.12 F cm-2) is achieved after 2000 cycles compared to pristine CoMoO4 NWs. In addition, we fabricate flexible all-solid-state ASC which can be cycled reversibly in the voltage range of 0-1.7 V, and exhibits a maximum energy density of 104.7 W h kg-1 (3.522 mW h cm-3), demonstrating great potential for practical applications in flexible energy storage electronics.Flexible all-solid-state supercapacitors have offered promising applications as novel energy storage devices based on their merits, such as small size, low cost, light weight and high wearability for high-performance portable electronics. However, one major challenge to make flexible all-solid-state supercapacitors depends on the improvement of electrode materials with higher electrical conductivity properties and longer cycling stability. In this article, we put forward a simple strategy to in situ synthesize 1D CoMoO4 nanowires (NWs), using highly conductive CC and an electrically conductive PPy wrapping layer on CoMoO4 NW arrays for high performance electrode materials. The results show that the CoMoO4/PPy hybrid NW electrode exhibits a high areal specific capacitance of ca. 1.34 F cm-2 at a current density of 2 mA cm-2, which is remarkably better than the corresponding values for a pure CoMoO4 NW electrode of 0.7 F cm-2. An excellent cycling performance of nanocomposites of up to 95.2% (ca. 1.12 F cm-2) is achieved after 2000 cycles compared to pristine CoMoO4 NWs. In addition, we fabricate flexible all-solid-state ASC which can be cycled reversibly in the voltage range of 0-1.7 V, and exhibits a maximum energy density of 104.7 W h kg-1 (3.522 mW h cm-3), demonstrating great potential for practical applications in flexible energy storage electronics. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr02961a

Thermal energy storage for the Stirling engine powered automobile

NASA Technical Reports Server (NTRS)

Morgan, D. T. (Editor)

1979-01-01

A thermal energy storage (TES) system developed for use with the Stirling engine as an automotive power system has gravimetric and volumetric storage densities which are competitive with electric battery storage systems, meets all operational requirements for a practical vehicle, and can be packaged in compact sized automobiles with minimum impact on passenger and freight volume. The TES/Stirling system is the only storage approach for direct use of combustion heat from fuel sources not suitable for direct transport and use on the vehicle. The particular concept described is also useful for a dual mode TES/liquid fuel system in which the TES (recharged from an external energy source) is used for short duration trips (approximately 10 miles or less) and liquid fuel carried on board the vehicle used for long duration trips. The dual mode approach offers the potential of 50 percent savings in the consumption of premium liquid fuels for automotive propulsion in the United States.

Advanced intermediate temperature sodium-nickel chloride batteries with ultra-high energy density

DOE PAGES

Li, Guosheng; Lu, Xiaochuan; Kim, Jin Yong; ...

2016-02-11

Here we demonstrate for the first time that planar Na-NiCl 2 batteries can be operated at an intermediate temperature of 190°C with ultra-high energy density. A specific energy density of 350 Wh/kg, which is 3 times higher than that of conventional tubular Na-NiCl 2 batteries operated at 280°C, was obtained for planar Na-NiCl 2 batteries operated at 190°C over a long-term cell test (1000 cycles). The high energy density and superior cycle stability are attributed to the slower particle growth of the cathode materials (NaCl and Ni) at 190°C. The results reported in this work demonstrate that planar Na-NiCl 2more » batteries operated at an intermediate temperature could greatly benefit this traditional energy storage technology by improving battery energy density, cycle life and reducing material costs.« less

Interconfigurational energies in transition-metal atoms using gradient-corrected density-functional theory

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

Kutzler, F.W.; Painter, G.S.

1991-03-15

The rapid variation of charge and spin densities in atoms and molecules provides a severe test for local-density-functional theory and for the use of gradient corrections. In the study reported in this paper, we use the Langreth, Mehl, and Hu (LMH) functional and the generalized gradient approximation (GGA) of Perdew and Yue to calculate {ital s}-{ital d} transition energies, 4{ital s} ionization energies, and 3{ital d} ionization energies for the 3{ital d} transition-metal atoms. These calculations are compared with results from the local-density functional of Vosko, Wilk, and Nusair. By comparison with experimental energies, we find that the gradient functionalsmore » are only marginally more successful than the local-density approximation in calculating energy differences between states in transition-metal atoms. The GGA approximation is somewhat better than the LMH functional for most of the atoms studied, although there are several exceptions.« less

Interference of interchromophoric energy-transfer pathways in π-conjugated macrocycles

DOE PAGES

Alfonso Hernandez, Laura; Nelson, Tammie Renee; Gelin, Maxim F.; ...

2016-11-10

The interchromophoric energy-transfer pathways between weakly coupled units in a π-conjugated phenylene–ethynylene macrocycle and its half-ring analogue have been investigated using the nonadiabatic excited-state molecular dynamics approach. To track the flow of electronic transition density between macrocycle units, we formulate a transition density flux analysis adapted from the statistical minimum flow method previously developed to investigate vibrational energy flow. Following photoexcitation, transition density is primarily delocalized on two chromophore units and the system undergoes ultrafast energy transfer, creating a localized excited state on a single unit. In the macrocycle, distinct chromophore units donate transition density to a single acceptor unitmore » but do not interchange transition density among each other. We find that energy transfer in the macrocycle is slower than in the corresponding half ring because of the presence of multiple interfering energy-transfer pathways. Finally, simulation results are validated by modeling the fluorescence anisotropy decay.« less

Laser Scribed Graphene Cathode for Next Generation of High Performance Hybrid Supercapacitors.

PubMed

Lee, Seung-Hwan; Kim, Jin Hyeon; Yoon, Jung-Rag

2018-05-25

Hybrid supercapacitors have been regarded as next-generation energy storage devices due to their outstanding performances. However, hybrid supercapacitors remain a great challenge to enhance the energy density of hybrid supercapacitors. Herein, a novel approach for high-energy density hybrid supercapacitors based on a laser scribed graphene cathode and AlPO 4 -carbon hybrid coated H 2 Ti 12 O 25 (LSG/H-HTO) was designed. Benefiting from high-energy laser scribed graphene and high-power H-HTO, it was demonstrated that LSG/H-HTO delivers superior energy and power densities with excellent cyclability. Compared to previous reports on other hybrid supercapacitors, LSG/H-HTO electrode composition shows extraordinary energy densities of ~70.8 Wh/kg and power densities of ~5191.9 W/kg. Therefore, LSG/H-HTO can be regarded as a promising milestone in hybrid supercapacitors.

Electrode/Dielectric Strip For High-Energy-Density Capacitor

NASA Technical Reports Server (NTRS)

Yen, Shiao-Ping S.

1994-01-01

Improved unitary electrode/dielectric strip serves as winding in high-energy-density capacitor in pulsed power supply. Offers combination of qualities essential for high energy density: high permittivity of dielectric layers, thinness, and high resistance to breakdown of dielectric at high electric fields. Capacitors with strip material not impregnated with liquid.

Dehydration of seabird prey during transport to the colony: Effects on wet weight energy densities

USGS Publications Warehouse

Montevecchi, W.A.; Piatt, John F.

1987-01-01

We present evidence to indicate that dehydration of prey transported by seabirds from capture sites at sea to chicks at colonies inflates estimates of wet weight energy densities. These findings and a comparison of wet and dry weight energy densities reported in the literature emphasize the importance of (i) accurate measurement of the fresh weight and water content of prey, (ii) use of dry weight energy densities in comparisons among species, seasons, and regions, and (iii) cautious interpretation and extrapolation of existing data sets.

Fluctuations and symmetry energy in nuclear fragmentation dynamics.

PubMed

Colonna, M

2013-01-25

Within a dynamical description of nuclear fragmentation, based on the liquid-gas phase transition scenario, we explore the relation between neutron-proton density fluctuations and nuclear symmetry energy. We show that, along the fragmentation path, isovector fluctuations follow the evolution of the local density and approach an equilibrium value connected to the local symmetry energy. Higher-density regions are characterized by smaller average asymmetry and narrower isotopic distributions. This dynamical analysis points out that fragment final state isospin fluctuations can probe the symmetry energy of the density domains from which fragments originate.

Knot soliton in DNA and geometric structure of its free-energy density.

PubMed

Wang, Ying; Shi, Xuguang

2018-03-01

In general, the geometric structure of DNA is characterized using an elastic rod model. The Landau model provides us a new theory to study the geometric structure of DNA. By using the decomposition of the arc unit in the helical axis of DNA, we find that the free-energy density of DNA is similar to the free-energy density of a two-condensate superconductor. By using the φ-mapping topological current theory, the torus knot soliton hidden in DNA is demonstrated. We show the relation between the geometric structure and free-energy density of DNA and the Frenet equations in differential geometry theory are considered. Therefore, the free-energy density of DNA can be expressed by the curvature and torsion of the helical axis.

Negative vacuum energy densities and the causal diamond measure

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

Salem, Michael P.

2009-07-15

Arguably a major success of the landscape picture is the prediction of a small, nonzero vacuum energy density. The details of this prediction depend in part on how the diverging spacetime volume of the multiverse is regulated, a question that remains unresolved. One proposal, the causal diamond measure, has demonstrated many phenomenological successes, including predicting a distribution of positive vacuum energy densities in good agreement with observation. In the string landscape, however, the vacuum energy density is expected to take positive and negative values. We find the causal diamond measure gives a poor fit to observation in such a landscapemore » - in particular, 99.6% of observers in galaxies seemingly just like ours measure a vacuum energy density smaller than we do, most of them measuring it to be negative.« less

Crust-core properties of neutron stars in the Nambu–Jona-Lasinio model

NASA Astrophysics Data System (ADS)

Wei, Si-Na; Yang, Rong-Yao; Jiang, Wei-Zhou

2018-05-01

We adopt the Nambu–Jona-Lasinio (NJL) model to study the crust-core transition properties in neutron stars (NSs). For a given momentum cutoff and symmetry energy of saturation density in the NJL model, decreasing the slope of the symmetry energy gives rise to an increase in the crust-core transition density and transition pressure. Given the slope of the symmetry energy at saturation density, the transition density and corresponding transition pressure increase with increasing symmetry energy. The increasing trend between the fraction of the crustal moment of inertia and the slope of symmetry energy at saturation density indicates that a relatively large momentum cutoff of the NJL model is preferred. For a momentum cutoff of 500 MeV, the fraction of the crustal moment of inertia clearly increases with the slope of symmetry energy at saturation density. Thus, at the required fraction (7%) of the crustal moment of inertia, the NJL model with momentum cutoff of 500 MeV and a large slope of the symmetry energy of saturation density can give the upper limit of the mass of the Vela pulsar to be above 1.40 {M}ȯ . Supported by National Natural Science Foundation of China (11775049, 11275048) and the China Jiangsu Provincial Natural Science Foundation (BK20131286)

Bulk nuclear properties from dynamical description of heavy-ion collisions

NASA Astrophysics Data System (ADS)

Hong, Jun

Mapping out the equation of state (EOS) of nuclear matter is a long standing problem in nuclear physics. Both experimentalists and theoretical physicists spare no effort in improving understanding of the EOS. In this thesis, we examine observables sensitive to the EOS within the pBUU transport model based on the Boltzmann equation. By comparing theoretical predictions with experimental data, we arrive at new constraints for the EOS. Further we propose novel promising observables for analysis of future experimental data. One set of observables that we examine within the pBUU model are pion yields. First, we find that net pion yields in central heavy-ion collisions (HIC) are strongly sensitive to the momentum dependence of the isoscalar nuclear mean field. We reexamine the momentum dependence that is assumed in the Boltzmann equation model for the collisions and optimize that dependence to describe the FOPI measurements of pion yields from the Au+Au collisions at different beam energies. Alas such optimized dependence yields a somewhat weaker baryonic elliptic flow than seen in measurements. Subsequently, we use the same pBUU model to generate predictions for baryonic elliptic flow observable in HIC, while varying the incompressibility of nuclear matter. In parallel, we test the sensitivity of pion multiplicity to the density dependence of EOS, and in particular to incompressibility, and optimize that dependence to describe both the elliptic flow and pion yields. Upon arriving at acceptable regions of density dependence of pressure and energy, we compare our constraints on EOS with those recently arrived at by the joint experiment and theory effort FOPI-IQMD. We should mention that, for the more advanced observables from HIC, there remain discrepancies of up to 30%, depending on energy, between the theory and experiment, indicating the limitations of the transport theory. Next, we explore the impact of the density dependence of the symmetry energy on observables, motivated by experiments aiming at constraining the symmetry energy. In contradiction to IBUU and ImIQMD models in the literature, that claim sensitivity of net charged pion yields to the density dependence of the symmetry energy, albeit in direction opposite from each other, we find practically no such sensitivity in pBUU. However, we find a rather dramatic sensitivity of differential high-energy charged-pion yield ratio to that density dependence, which can be qualitatively understood, and we propose that differential ratio be used in future experiments to constrain the symmetry energy. Finally, we present Gaussian phase-space representation method for studying strongly correlated systems. This approach allows to follow time evolution of quantum many-body systems with large Hilbert spaces through stochastic sampling, provided the interactions are two-body in nature. We demonstrate the advantage of the Gaussian phase-space representation method in coping with the notorious numerical sign problem for fermion systems. Lastly, we discuss the difficulty in trying to stabilize the system during its time evolution, within the Gaussian phase-space method.

Combined high-power ultrasound and high-pressure homogenization nanoemulsification: The effect of energy density, oil content and emulsifier type and content.

PubMed

Calligaris, Sonia; Plazzotta, Stella; Valoppi, Fabio; Anese, Monica

2018-05-01

Combinations of ultrasound (US) and high-pressure homogenization (HPH) at low-medium energy densities were studied as alternative processes to individual US and HPH to produce Tween 80 and whey protein stabilized nanoemulsions, while reducing the energy input. To this aim, preliminary trials were performed to compare emulsification efficacy of single and combined HPH and US treatments delivering low-medium energy densities. Results highlighted the efficacy of US-HPH combined process in reducing the energy required to produce nanoemulsions stabilized with both Tween 80 and whey protein isolate. Subsequently, the effect of emulsifier content (1-3% w/w), oil amount (10-20% w/w) and energy density (47-175 MJ/m 3 ) on emulsion mean particle diameter was evaluated by means of a central composite design. Particles of 140-190 nm were obtained by delivering 175 MJ/m 3 energy density at emulsions containing 3% (w/w) Tween 80 and 10% (w/w) oil. In the case of whey protein isolate stabilized emulsions, a reduced emulsifier amount (1% w/w) and intermediate energy density (120 MJ/m 3 ) allowed a minimum droplet size around 220-250 nm to be achieved. Results showed that, in both cases, at least 50% of the energy density should be delivered by HPH to obtain the minimum particle diameter. Copyright © 2018 Elsevier Ltd. All rights reserved.

Vibrational Power Flow Analysis of Rods and Beams

NASA Technical Reports Server (NTRS)

Wohlever, James Christopher; Bernhard, R. J.

1988-01-01

A new method to model vibrational power flow and predict the resulting energy density levels in uniform rods and beams is investigated. This method models the flow of vibrational power in a manner analogous to the flow of thermal power in a heat conduction problem. The classical displacement solutions for harmonically excited, hysteretically damped rods and beams are used to derive expressions for the vibrational power flow and energy density in the rod and beam. Under certain conditions, the power flow in these two structural elements will be shown to be proportional to the energy density gradient. Using the relationship between power flow and energy density, an energy balance on differential control volumes in the rod and beam leads to a Poisson's equation which models the energy density distribution in the rod and beam. Coupling the energy density and power flow solutions for rods and beams is also discussed. It is shown that the resonant behavior of finite structures complicates the coupling of solutions, especially when the excitations are single frequency inputs. Two coupling formulations are discussed, the first based on the receptance method, and the second on the travelling wave approach used in Statistical Energy Analysis. The receptance method is the more computationally intensive but is capable of analyzing single frequency excitation cases. The traveling wave approach gives a good approximation of the frequency average of energy density and power flow in coupled systems, and thus, is an efficient technique for use with broadband frequency excitation.

Direct Detection Electron Energy-Loss Spectroscopy: A Method to Push the Limits of Resolution and Sensitivity.

PubMed

Hart, James L; Lang, Andrew C; Leff, Asher C; Longo, Paolo; Trevor, Colin; Twesten, Ray D; Taheri, Mitra L

2017-08-15

In many cases, electron counting with direct detection sensors offers improved resolution, lower noise, and higher pixel density compared to conventional, indirect detection sensors for electron microscopy applications. Direct detection technology has previously been utilized, with great success, for imaging and diffraction, but potential advantages for spectroscopy remain unexplored. Here we compare the performance of a direct detection sensor operated in counting mode and an indirect detection sensor (scintillator/fiber-optic/CCD) for electron energy-loss spectroscopy. Clear improvements in measured detective quantum efficiency and combined energy resolution/energy field-of-view are offered by counting mode direct detection, showing promise for efficient spectrum imaging, low-dose mapping of beam-sensitive specimens, trace element analysis, and time-resolved spectroscopy. Despite the limited counting rate imposed by the readout electronics, we show that both core-loss and low-loss spectral acquisition are practical. These developments will benefit biologists, chemists, physicists, and materials scientists alike.

High Energy Density Lithium-Sulfur Batteries: Challenges of Thick Sulfur Cathodes

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

Lu, Dongping; Zheng, Jianming; Li, Qiuyan

2015-08-19

High energy and cost-effective lithium sulfur (Li-S) battery technology has been vigorously revisited in recent years due to the urgent need of advanced energy storage technologies for transportation and large-scale energy storage applications. However, the market penetration of Li-S batteries has been plagued due to the gap in scientific knowledge between the fundamental research and the real application need. Herein, we focus on the cathode part of the Li-S system and discuss 1) the progress and issues of literature-reported sulfur cathode; 2) how to employ materials chemistry/science to address the challenges to thicken sulfur cathode; 3) the factors that affectmore » the electrochemical performances of Li-S cells constructed at a relevant scale. This progress report attempts to tie the fundamental understanding closely to the practical application of Li-S batteries so that it may provide new insights for the research efforts of Li-S battery technology.« less

Nano-sized Mo- and Nb-doped TiO2 as anode materials for high energy and high power hybrid Li-ion capacitors.

PubMed

Bauer, Dustin; Roberts, Alexander J; Matsumi, Noriyoshi; Darr, Jawwad A

2017-05-12

Nano-sized Mo-doped titania (Mo 0.1 Ti 0.9 O 2 ) and Nb-doped titania (Nb 0.25 Ti 0.75 O 2 ) were directly synthesized via a continuous hydrothermal flow synthesis process. Materials characterization was conducted using physical techniques such as transmission electron microscopy, powder x-ray diffraction, x-ray photoelectron spectroscopy, Brunauer-Emmett-Teller specific surface area measurements and energy dispersive x-ray spectroscopy. Hybrid Li-ion supercapacitors were made with either a Mo-doped or Nb-doped TiO 2 negative electrode material and an activated carbon (AC) positive electrode. Cells were evaluated using electrochemical testing (cyclic voltammetry, constant charge discharge cycling). The hybrid Li-ion capacitors showed good energy densities at moderate power densities. When cycled in the potential window 0.5-3.0 V, the Mo 0.1 Ti 0.9 O 2 /AC hybrid supercapacitor showed the highest energy densities of 51 Wh kg -1 at a power of 180 W kg -1 with energy densities rapidly declining with increasing applied specific current. In comparison, the Nb 0.25 Ti 0.75 O 2 /AC hybrid supercapacitor maintained its energy density of 45 Wh kg -1 at 180 W kg -1 better, showing 36 Wh g -1 at 3200 W kg -1 , which is a very promising mix of high energy and power densities. Reducing the voltage window to the range 1.0-3.0 V led to an increase in power density, with the Mo 0.1 Ti 0.9 O 2 /AC hybrid supercapacitor giving energy densities of 12 Wh kg -1 and 2.5 Wh kg -1 at power densities of 6700 W kg -1 and 14 000 W kg -1 , respectively.

Nano-sized Mo- and Nb-doped TiO2 as anode materials for high energy and high power hybrid Li-ion capacitors

NASA Astrophysics Data System (ADS)

Bauer, Dustin; Roberts, Alexander J.; Matsumi, Noriyoshi; Darr, Jawwad A.

2017-05-01

Nano-sized Mo-doped titania (Mo0.1Ti0.9O2) and Nb-doped titania (Nb0.25Ti0.75O2) were directly synthesized via a continuous hydrothermal flow synthesis process. Materials characterization was conducted using physical techniques such as transmission electron microscopy, powder x-ray diffraction, x-ray photoelectron spectroscopy, Brunauer-Emmett-Teller specific surface area measurements and energy dispersive x-ray spectroscopy. Hybrid Li-ion supercapacitors were made with either a Mo-doped or Nb-doped TiO2 negative electrode material and an activated carbon (AC) positive electrode. Cells were evaluated using electrochemical testing (cyclic voltammetry, constant charge discharge cycling). The hybrid Li-ion capacitors showed good energy densities at moderate power densities. When cycled in the potential window 0.5-3.0 V, the Mo0.1Ti0.9O2/AC hybrid supercapacitor showed the highest energy densities of 51 Wh kg-1 at a power of 180 W kg-1 with energy densities rapidly declining with increasing applied specific current. In comparison, the Nb0.25Ti0.75O2/AC hybrid supercapacitor maintained its energy density of 45 Wh kg-1 at 180 W kg-1 better, showing 36 Wh g-1 at 3200 W kg-1, which is a very promising mix of high energy and power densities. Reducing the voltage window to the range 1.0-3.0 V led to an increase in power density, with the Mo0.1Ti0.9O2/AC hybrid supercapacitor giving energy densities of 12 Wh kg-1 and 2.5 Wh kg-1 at power densities of 6700 W kg-1 and 14 000 W kg-1, respectively.

Spin densities from subsystem density-functional theory: Assessment and application to a photosynthetic reaction center complex model

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

Solovyeva, Alisa; Technical University Braunschweig, Institute for Physical and Theoretical Chemistry, Hans-Sommer-Str. 10, 38106 Braunschweig; Pavanello, Michele

2012-05-21

Subsystem density-functional theory (DFT) is a powerful and efficient alternative to Kohn-Sham DFT for large systems composed of several weakly interacting subunits. Here, we provide a systematic investigation of the spin-density distributions obtained in subsystem DFT calculations for radicals in explicit environments. This includes a small radical in a solvent shell, a {pi}-stacked guanine-thymine radical cation, and a benchmark application to a model for the special pair radical cation, which is a dimer of bacteriochlorophyll pigments, from the photosynthetic reaction center of purple bacteria. We investigate the differences in the spin densities resulting from subsystem DFT and Kohn-Sham DFT calculations.more » In these comparisons, we focus on the problem of overdelocalization of spin densities due to the self-interaction error in DFT. It is demonstrated that subsystem DFT can reduce this problem, while it still allows to describe spin-polarization effects crossing the boundaries of the subsystems. In practical calculations of spin densities for radicals in a given environment, it may thus be a pragmatic alternative to Kohn-Sham DFT calculations. In our calculation on the special pair radical cation, we show that the coordinating histidine residues reduce the spin-density asymmetry between the two halves of this system, while inclusion of a larger binding pocket model increases this asymmetry. The unidirectional energy transfer in photosynthetic reaction centers is related to the asymmetry introduced by the protein environment.« less

Universal properties of materials with the Dirac dispersion relation of low-energy excitations

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

Protogenov, A. P., E-mail: alprot@appl.sci-nnov.ru; Chulkov, E. V.

2015-12-15

The N-terminal scheme is considered for studying the contribution of edge states to the response of a two-dimensional topological insulator. A universal distribution of the nonlocal resistance between terminals is determined in the ballistic transport approach. The calculated responses are identical to experimentally observed values. The spectral properties of surface electronic states in Weyl semimetals are also studied. The density of surface states is accurately determined. The universal behavior of these characteristics is a distinctive feature of the considered Dirac materials which can be used in practical applications.

Globally optimal superconducting magnets part I: minimum stored energy (MSE) current density map.

PubMed

Tieng, Quang M; Vegh, Viktor; Brereton, Ian M

2009-01-01

An optimal current density map is crucial in magnet design to provide the initial values within search spaces in an optimization process for determining the final coil arrangement of the magnet. A strategy for obtaining globally optimal current density maps for the purpose of designing magnets with coaxial cylindrical coils in which the stored energy is minimized within a constrained domain is outlined. The current density maps obtained utilising the proposed method suggests that peak current densities occur around the perimeter of the magnet domain, where the adjacent peaks have alternating current directions for the most compact designs. As the dimensions of the domain are increased, the current density maps yield traditional magnet designs of positive current alone. These unique current density maps are obtained by minimizing the stored magnetic energy cost function and therefore suggest magnet coil designs of minimal system energy. Current density maps are provided for a number of different domain arrangements to illustrate the flexibility of the method and the quality of the achievable designs.

Defect Related Dark Currents in III-V MWIR nBn Detectors

DTIC Science & Technology

2014-01-01

theory indicates a thermal activation energy of half the bandgap, and a direct proportionality between dark current density and defect density. 2.2...density due to defects maintains a full bandgap thermal activation energy , and is proportional to the square root of the defect density. Although neutral...photodiodes, and cooling is more efficient in reducing nBn’s dark current due to the full bandgap activation energy . Downloaded From: http

Fission fragment charge and mass distributions in 239Pu(n ,f ) in the adiabatic nuclear energy density functional theory

NASA Astrophysics Data System (ADS)

Regnier, D.; Dubray, N.; Schunck, N.; Verrière, M.

2016-05-01

Background: Accurate knowledge of fission fragment yields is an essential ingredient of numerous applications ranging from the formation of elements in the r process to fuel cycle optimization for nuclear energy. The need for a predictive theory applicable where no data are available, together with the variety of potential applications, is an incentive to develop a fully microscopic approach to fission dynamics. Purpose: In this work, we calculate the pre-neutron emission charge and mass distributions of the fission fragments formed in the neutron-induced fission of 239Pu using a microscopic method based on nuclear density functional theory (DFT). Methods: Our theoretical framework is the nuclear energy density functional (EDF) method, where large-amplitude collective motion is treated adiabatically by using the time-dependent generator coordinate method (TDGCM) under the Gaussian overlap approximation (GOA). In practice, the TDGCM is implemented in two steps. First, a series of constrained EDF calculations map the configuration and potential-energy landscape of the fissioning system for a small set of collective variables (in this work, the axial quadrupole and octupole moments of the nucleus). Then, nuclear dynamics is modeled by propagating a collective wave packet on the potential-energy surface. Fission fragment distributions are extracted from the flux of the collective wave packet through the scission line. Results: We find that the main characteristics of the fission charge and mass distributions can be well reproduced by existing energy functionals even in two-dimensional collective spaces. Theory and experiment agree typically within two mass units for the position of the asymmetric peak. As expected, calculations are sensitive to the structure of the initial state and the prescription for the collective inertia. We emphasize that results are also sensitive to the continuity of the collective landscape near scission. Conclusions: Our analysis confirms that the adiabatic approximation provides an effective scheme to compute fission fragment yields. It also suggests that, at least in the framework of nuclear DFT, three-dimensional collective spaces may be a prerequisite to reach 10% accuracy in predicting pre-neutron emission fission fragment yields.

A Dual-Stimuli-Responsive Sodium-Bromine Battery with Ultrahigh Energy Density.

PubMed

Wang, Faxing; Yang, Hongliu; Zhang, Jian; Zhang, Panpan; Wang, Gang; Zhuang, Xiaodong; Cuniberti, Gianaurelio; Feng, Xinliang

2018-06-01

Stimuli-responsive energy storage devices have emerged for the fast-growing popularity of intelligent electronics. However, all previously reported stimuli-responsive energy storage devices have rather low energy densities (<250 Wh kg -1 ) and single stimuli-response, which seriously limit their application scopes in intelligent electronics. Herein, a dual-stimuli-responsive sodium-bromine (Na//Br 2 ) battery featuring ultrahigh energy density, electrochromic effect, and fast thermal response is demonstrated. Remarkably, the fabricated Na//Br 2 battery exhibits a large operating voltage of 3.3 V and an energy density up to 760 Wh kg -1 , which outperforms those for the state-of-the-art stimuli-responsive electrochemical energy storage devices. This work offers a promising approach for designing multi-stimuli-responsive and high-energy rechargeable batteries without sacrificing the electrochemical performance. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Biomass-Derived Nitrogen-Doped Carbon Nanofiber Network: A Facile Template for Decoration of Ultrathin Nickel-Cobalt Layered Double Hydroxide Nanosheets as High-Performance Asymmetric Supercapacitor Electrode.

PubMed

Lai, Feili; Miao, Yue-E; Zuo, Lizeng; Lu, Hengyi; Huang, Yunpeng; Liu, Tianxi

2016-06-01

The development of biomass-based energy storage devices is an emerging trend to reduce the ever-increasing consumption of non-renewable resources. Here, nitrogen-doped carbonized bacterial cellulose (CBC-N) nanofibers are obtained by one-step carbonization of polyaniline coated bacterial cellulose (BC) nanofibers, which not only display excellent capacitive performance as the supercapacitor electrode, but also act as 3D bio-template for further deposition of ultrathin nickel-cobalt layered double hydroxide (Ni-Co LDH) nanosheets. The as-obtained CBC-N@LDH composite electrodes exhibit significantly enhanced specific capacitance (1949.5 F g(-1) at a discharge current density of 1 A g(-1) , based on active materials), high capacitance retention of 54.7% even at a high discharge current density of 10 A g(-1) and excellent cycling stability of 74.4% retention after 5000 cycles. Furthermore, asymmetric supercapacitors (ASCs) are constructed using CBC-N@LDH composites as positive electrode materials and CBC-N nanofibers as negative electrode materials. By virtue of the intrinsic pseudocapacitive characteristics of CBC-N@LDH composites and 3D nitrogen-doped carbon nanofiber networks, the developed ASC exhibits high energy density of 36.3 Wh kg(-1) at the power density of 800.2 W kg(-1) . Therefore, this work presents a novel protocol for the large-scale production of biomass-derived high-performance electrode materials in practical supercapacitor applications. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of Laser Remelting and Oxidation on NiCrAlY/8Y2O3-ZrO2 Thermal Barrier Coatings

NASA Astrophysics Data System (ADS)

Xu, S. Q.; Zhu, C.; Zhang, Y.

2018-02-01

In this study, three groups of thermal barrier coatings (TBCs) samples were remelted by CO2 laser with different laser energy densities (1, 5 and 10 J/mm2) to seal the surface of yttria-stabilized zirconia (YSZ) coatings. Microscopic observations showed that the cracks size and the remelted depth in YSZ coatings increased. A 50-μm-thick dense layer was formed on the surface of YSZ coating in samples with 1 J/mm2 energy density. Microindentation tests showed that the Vickers hardness of YSZ coatings increases with the increase in laser energy density. After isothermal oxidation at 1200 °C for 200 h, thinner thermally growth oxides were found in laser remelted YSZ samples under energy density of 1 J/mm2 (6.32 ± 0.28 μm). Cyclic oxidation results showed that the weight gain per unit area of low energy density laser remelted TBCs was smaller than that of the high energy density laser remelted and as-sprayed TBCs.

High Discharge Energy Density at Low Electric Field Using an Aligned Titanium Dioxide/Lead Zirconate Titanate Nanowire Array

PubMed Central

Zhang, Dou; Liu, Weiwei; Guo, Ru; Zhou, Kechao

2017-01-01

Abstract Polymer‐based capacitors with high energy density have attracted significant attention in recent years due to their wide range of potential applications in electronic devices. However, the obtained high energy density is predominantly dependent on high applied electric field, e.g., 400–600 kV mm−1, which may bring more challenges relating to the failure probability. Here, a simple two‐step method for synthesizing titanium dioxide/lead zirconate titanate nanowire arrays is exploited and a demonstration of their ability to achieve high discharge energy density capacitors for low operating voltage applications is provided. A high discharge energy density of 6.9 J cm−3 is achieved at low electric fields, i.e., 143 kV mm−1, which is attributed to the high relative permittivity of 218.9 at 1 kHz and high polarization of 23.35 µC cm−2 at this electric field. The discharge energy density obtained in this work is the highest known for a ceramic/polymer nanocomposite at such a low electric field. The novel nanowire arrays used in this work are applicable to a wide range of fields, such as energy harvesting, energy storage, and photocatalysis. PMID:29610724

A feasibility study for anatomical noise reduction in dual-energy chest digital tomosynthesis

NASA Astrophysics Data System (ADS)

Lee, D.; Kim, Y.-s.; Choi, S.; Lee, H.; Choi, S.; Kim, H.-J.

2016-01-01

Lung cancer is the leading cause of cancer death worldwide. Thus, early diagnosis is of considerable importance. For early screening of lung cancer, computed tomography (CT) has been used as the gold standard. Chest digital tomosynthesis (CDT) is a recently introduced modality for lung cancer screening with a relatively low radiation dose compared to CT. The dual energy material decomposition method has been proposed for better detection of pulmonary nodules by means of reducing anatomical noise. In this study, the possibility of material decomposition in CDT was tested by both a simulation study and an experimental study using a CDT prototype. The Geant4 application for tomographic emission (GATE) v6 and tungsten anode spectral model using interpolating polynomials (TASMIP) codes were used for the simulation study to create simulated phantom shapes consisting of five inner cylinders filled with different densities of bone and airequivalent materials. Furthermore, the CDT prototype system and human phantom chest were used for the experimental study. CDT scan in both the simulation and experimental studies was performed with linear movement and 21 projection images were obtained over a 30 degree angular range with a 1.5 degree angular interval. To obtain materialselective images, a projectionbased energy subtraction technique was applied to high and low energy images. The resultant simulation images showed that dual-energy reconstruction could achieve an approximately 32% higher contrast to noise ratio (CNR) in images and the difference in CNR value according to bone density was significant compared to single energy CDT. Additionally, image artifacts were effectively corrected in dual energy CDT simulation studies. Likewise the experimental study with dual energy produced clear images of lung fields and bone structure by removing unnecessary anatomical structures. Dual energy tomosynthesis is a new technique; therefore, there is little guidance regarding its integration into clinical practice and this study can be used to improve the diagnostic efficiency of lung field and spinal bone screening using CDT.

Surface design and engineering of hierarchical hybrid nanostructures for asymmetric supercapacitors with improved electrochemical performance.

PubMed

Achilleos, Demetra S; Hatton, T Alan

2015-06-01

With the current rising world demand for energy sufficiency, there is an increased necessity for the development of efficient energy storage devices. To address these needs, the scientific community has focused on the improvement of the electrochemical properties of the most well known energy storage devices; the Li-ion batteries and electrochemical capacitors, also called supercapacitors. Despite the fact that supercapacitors exhibit high power densities, good reversibility and long cycle life, they still exhibit lower energy densities than batteries, which limit their practical application. Various strategies have been employed to circumvent this problem, specifically targetting an increase in the specific capacitance and the broadening of the potential window of operation of these systems. In recent years, sophisticated surface design and engineering of hierarchical hybrid nanostructures has facilitated significant improvements in the specific and volumetric storage capabilities of supercapacitors. These nanostructured electrodes exhibit higher surface areas for ion adsorption and reduced ion diffusion lengths for the electrolyte ions. Significant advances have also been achieved in broadening the electrochemical window of operation of these systems, as realized via the development of asymmetric two-electrode cells consisting of nanocomposite positive and negative electrodes with complementary electrochemical windows, which operate in environmentally benign aqueous media. We provide an overview of the diverse approaches, in terms of chemistry and nanoscale architecture, employed recently for the development of asymmetric supercapacitors of improved electrochemical performance. Copyright © 2014 Elsevier Inc. All rights reserved.

24 CFR 941.203 - Design and construction standards.

Code of Federal Regulations, 2010 CFR

2010-04-01

... with children shall consist to the maximum extent practicable of low-density housing (e.g., non-elevator structures, scattered sites or other types of low-density developments appropriate in the... density, unless the PHA demonstrates and HUD determines that there is no practical alternative. High-rise...

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

PubMed

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

2018-02-01

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

Ultra-stiff metallic glasses through bond energy density design.

PubMed

Schnabel, Volker; Köhler, Mathias; Music, Denis; Bednarcik, Jozef; Clegg, William J; Raabe, Dierk; Schneider, Jochen M

2017-07-05

The elastic properties of crystalline metals scale with their valence electron density. Similar observations have been made for metallic glasses. However, for metallic glasses where covalent bonding predominates, such as metalloid metallic glasses, this relationship appears to break down. At present, the reasons for this are not understood. Using high energy x-ray diffraction analysis of melt spun and thin film metallic glasses combined with density functional theory based molecular dynamics simulations, we show that the physical origin of the ultrahigh stiffness in both metalloid and non-metalloid metallic glasses is best understood in terms of the bond energy density. Using the bond energy density as novel materials design criterion for ultra-stiff metallic glasses, we are able to predict a Co 33.0 Ta 3.5 B 63.5 short range ordered material by density functional theory based molecular dynamics simulations with a high bond energy density of 0.94 eV Å -3 and a bulk modulus of 263 GPa, which is 17% greater than the stiffest Co-B based metallic glasses reported in literature.

Density functional and theoretical study of the temperature and pressure dependency of the plasmon energy of solids

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

Attarian Shandiz, M., E-mail: mohammad.attarianshandiz@mail.mcgill.ca; Gauvin, R.

The temperature and pressure dependency of the volume plasmon energy of solids was investigated by density functional theory calculations. The volume change of crystal is the major factor responsible for the variation of valence electron density and plasmon energy in the free electron model. Hence, to introduce the effect of temperature and pressure for the density functional theory calculations of plasmon energy, the temperature and pressure dependency of lattice parameter was used. Also, by combination of the free electron model and the equation of state based on the pseudo-spinodal approach, the temperature and pressure dependency of the plasmon energy wasmore » modeled. The suggested model is in good agreement with the results of density functional theory calculations and available experimental data for elements with the free electron behavior.« less

An Electrochemical Capacitor with Applicable Energy Density of 7.4 Wh/kg at Average Power Density of 3000 W/kg.

PubMed

Zhai, Teng; Lu, Xihong; Wang, Hanyu; Wang, Gongming; Mathis, Tyler; Liu, Tianyu; Li, Cheng; Tong, Yexiang; Li, Yat

2015-05-13

Electrochemical capacitors represent a new class of charge storage devices that can simultaneously achieve high energy density and high power density. Previous reports have been primarily focused on the development of high performance capacitor electrodes. Although these electrodes have achieved excellent specific capacitance based on per unit mass of active materials, the gravimetric energy densities calculated based on the weight of entire capacitor device were fairly small. This is mainly due to the large mass ratio between current collector and active material. We aimed to address this issue by a 2-fold approach of minimizing the mass of current collector and increasing the electrode performance. Here we report an electrochemical capacitor using 3D graphene hollow structure as current collector, vanadium sulfide and manganese oxide as anode and cathode materials, respectively. 3D graphene hollow structure provides a lightweight and highly conductive scaffold for deposition of pseudocapacitive materials. The device achieves an excellent active material ratio of 24%. Significantly, it delivers a remarkable energy density of 7.4 Wh/kg (based on the weight of entire device) at the average power density of 3000 W/kg. This is the highest gravimetric energy density reported for asymmetric electrochemical capacitors at such a high power density.

Symmetry Breaking in Photonic Crystals: On-Demand Dispersion from Flatband to Dirac Cones

NASA Astrophysics Data System (ADS)

Nguyen, H. S.; Dubois, F.; Deschamps, T.; Cueff, S.; Pardon, A.; Leclercq, J.-L.; Seassal, C.; Letartre, X.; Viktorovitch, P.

2018-02-01

We demonstrate that symmetry breaking opens a new degree of freedom to tailor energy-momentum dispersion in photonic crystals. Using a general theoretical framework in two illustrative practical structures, we show that breaking symmetry enables an on-demand tuning of the local density of states of the same photonic band from zero (Dirac cone dispersion) to infinity (flatband dispersion), as well as any constant density over an adjustable spectral range. As a proof of concept, we demonstrate experimentally the transformation of the very same photonic band from a conventional quadratic shape to a Dirac dispersion, a flatband dispersion, and a multivalley one. This transition is achieved by finely tuning the vertical symmetry breaking of the photonic structures. Our results provide an unprecedented degree of freedom for optical dispersion engineering in planar integrated photonic devices.

Symmetry Breaking in Photonic Crystals: On-Demand Dispersion from Flatband to Dirac Cones.

PubMed

Nguyen, H S; Dubois, F; Deschamps, T; Cueff, S; Pardon, A; Leclercq, J-L; Seassal, C; Letartre, X; Viktorovitch, P

2018-02-09

We demonstrate that symmetry breaking opens a new degree of freedom to tailor energy-momentum dispersion in photonic crystals. Using a general theoretical framework in two illustrative practical structures, we show that breaking symmetry enables an on-demand tuning of the local density of states of the same photonic band from zero (Dirac cone dispersion) to infinity (flatband dispersion), as well as any constant density over an adjustable spectral range. As a proof of concept, we demonstrate experimentally the transformation of the very same photonic band from a conventional quadratic shape to a Dirac dispersion, a flatband dispersion, and a multivalley one. This transition is achieved by finely tuning the vertical symmetry breaking of the photonic structures. Our results provide an unprecedented degree of freedom for optical dispersion engineering in planar integrated photonic devices.

Use of nonlinear programming to optimize performance response to energy density in broiler feed formulation.

PubMed

Guevara, V R

2004-02-01

A nonlinear programming optimization model was developed to maximize margin over feed cost in broiler feed formulation and is described in this paper. The model identifies the optimal feed mix that maximizes profit margin. Optimum metabolizable energy level and performance were found by using Excel Solver nonlinear programming. Data from an energy density study with broilers were fitted to quadratic equations to express weight gain, feed consumption, and the objective function income over feed cost in terms of energy density. Nutrient:energy ratio constraints were transformed into equivalent linear constraints. National Research Council nutrient requirements and feeding program were used for examining changes in variables. The nonlinear programming feed formulation method was used to illustrate the effects of changes in different variables on the optimum energy density, performance, and profitability and was compared with conventional linear programming. To demonstrate the capabilities of the model, I determined the impact of variation in prices. Prices for broiler, corn, fish meal, and soybean meal were increased and decreased by 25%. Formulations were identical in all other respects. Energy density, margin, and diet cost changed compared with conventional linear programming formulation. This study suggests that nonlinear programming can be more useful than conventional linear programming to optimize performance response to energy density in broiler feed formulation because an energy level does not need to be set.

Density-functional theory for internal magnetic fields

NASA Astrophysics Data System (ADS)

Tellgren, Erik I.

2018-01-01

A density-functional theory is developed based on the Maxwell-Schrödinger equation with an internal magnetic field in addition to the external electromagnetic potentials. The basic variables of this theory are the electron density and the total magnetic field, which can equivalently be represented as a physical current density. Hence, the theory can be regarded as a physical current density-functional theory and an alternative to the paramagnetic current density-functional theory due to Vignale and Rasolt. The energy functional has strong enough convexity properties to allow a formulation that generalizes Lieb's convex analysis formulation of standard density-functional theory. Several variational principles as well as a Hohenberg-Kohn-like mapping between potentials and ground-state densities follow from the underlying convex structure. Moreover, the energy functional can be regarded as the result of a standard approximation technique (Moreau-Yosida regularization) applied to the conventional Schrödinger ground-state energy, which imposes limits on the maximum curvature of the energy (with respect to the magnetic field) and enables construction of a (Fréchet) differentiable universal density functional.

High Energy Density in Azobenzene-based Materials for Photo-Thermal Batteries via Controlled Polymer Architecture and Polymer-Solvent Interactions.

PubMed

Jeong, Seung Pyo; Renna, Lawrence A; Boyle, Connor J; Kwak, Hyunwook S; Harder, Edward; Damm, Wolfgang; Venkataraman, Dhandapani

2017-12-19

Energy densities of ~510 J/g (max: 698 J/g) have been achieved in azobenzene-based syndiotactic-rich poly(methacrylate) polymers. The processing solvent and polymer-solvent interactions are important to achieve morphologically optimal structures for high-energy density materials. This work shows that morphological changes of solid-state syndiotactic polymers, driven by different solvent processings play an important role in controlling the activation energy of Z-E isomerization as well as the shape of the DSC exotherm. Thus, this study shows the crucial role of processing solvents and thin film structure in achieving higher energy densities.

Quantitative description on structure-property relationships of Li-ion battery materials for high-throughput computations

NASA Astrophysics Data System (ADS)

Wang, Youwei; Zhang, Wenqing; Chen, Lidong; Shi, Siqi; Liu, Jianjun

2017-12-01

Li-ion batteries are a key technology for addressing the global challenge of clean renewable energy and environment pollution. Their contemporary applications, for portable electronic devices, electric vehicles, and large-scale power grids, stimulate the development of high-performance battery materials with high energy density, high power, good safety, and long lifetime. High-throughput calculations provide a practical strategy to discover new battery materials and optimize currently known material performances. Most cathode materials screened by the previous high-throughput calculations cannot meet the requirement of practical applications because only capacity, voltage and volume change of bulk were considered. It is important to include more structure-property relationships, such as point defects, surface and interface, doping and metal-mixture and nanosize effects, in high-throughput calculations. In this review, we established quantitative description of structure-property relationships in Li-ion battery materials by the intrinsic bulk parameters, which can be applied in future high-throughput calculations to screen Li-ion battery materials. Based on these parameterized structure-property relationships, a possible high-throughput computational screening flow path is proposed to obtain high-performance battery materials.

Quantitative description on structure-property relationships of Li-ion battery materials for high-throughput computations.

PubMed

Wang, Youwei; Zhang, Wenqing; Chen, Lidong; Shi, Siqi; Liu, Jianjun

2017-01-01

Li-ion batteries are a key technology for addressing the global challenge of clean renewable energy and environment pollution. Their contemporary applications, for portable electronic devices, electric vehicles, and large-scale power grids, stimulate the development of high-performance battery materials with high energy density, high power, good safety, and long lifetime. High-throughput calculations provide a practical strategy to discover new battery materials and optimize currently known material performances. Most cathode materials screened by the previous high-throughput calculations cannot meet the requirement of practical applications because only capacity, voltage and volume change of bulk were considered. It is important to include more structure-property relationships, such as point defects, surface and interface, doping and metal-mixture and nanosize effects, in high-throughput calculations. In this review, we established quantitative description of structure-property relationships in Li-ion battery materials by the intrinsic bulk parameters, which can be applied in future high-throughput calculations to screen Li-ion battery materials. Based on these parameterized structure-property relationships, a possible high-throughput computational screening flow path is proposed to obtain high-performance battery materials.

Stable generation of GeV-class electron beams from self-guided laser-plasma channels

NASA Astrophysics Data System (ADS)

Hafz, Nasr A. M.; Jeong, Tae Moon; Choi, Il Woo; Lee, Seong Ku; Pae, Ki Hong; Kulagin, Victor V.; Sung, Jae Hee; Yu, Tae Jun; Hong, Kyung-Han; Hosokai, Tomonao; Cary, John R.; Ko, Do-Kyeong; Lee, Jongmin

2008-09-01

Table-top laser-driven plasma accelerators are gaining attention for their potential use in miniaturizing future high-energy accelerators. By irradiating gas jet targets with ultrashort intense laser pulses, the generation of quasimonoenergetic electron beams was recently observed. Currently, the stability of beam generation and the ability to scale to higher electron beam energies are critical issues for practical laser acceleration. Here, we demonstrate the first generation of stable GeV-class electron beams from stable few-millimetre-long plasma channels in a self-guided wakefield acceleration process. As primary evidence of the laser wakefield acceleration in a bubble regime, we observed a boost of both the electron beam energy and quality by reducing the plasma density and increasing the plasma length in a 1-cm-long gas jet. Subsequent three-dimensional simulations show the possibility of achieving even higher electron beam energies by minimizing plasma bubble elongation, and we anticipate dramatic increases in beam energy and quality in the near future. This will pave the way towards ultracompact, all-optical electron beam accelerators and their applications in science, technology and medicine.

Coaxial wet-spun yarn supercapacitors for high-energy density and safe wearable electronics

NASA Astrophysics Data System (ADS)

Kou, Liang; Huang, Tieqi; Zheng, Bingna; Han, Yi; Zhao, Xiaoli; Gopalsamy, Karthikeyan; Sun, Haiyan; Gao, Chao

2014-05-01

Yarn supercapacitors have great potential in future portable and wearable electronics because of their tiny volume, flexibility and weavability. However, low-energy density limits their development in the area of wearable high-energy density devices. How to enhance their energy densities while retaining their high-power densities is a critical challenge for yarn supercapacitor development. Here we propose a coaxial wet-spinning assembly approach to continuously spin polyelectrolyte-wrapped graphene/carbon nanotube core-sheath fibres, which are used directly as safe electrodes to assembly two-ply yarn supercapacitors. The yarn supercapacitors using liquid and solid electrolytes show ultra-high capacitances of 269 and 177 mF cm-2 and energy densities of 5.91 and 3.84 μWh cm-2, respectively. A cloth supercapacitor superior to commercial capacitor is further interwoven from two individual 40-cm-long coaxial fibres. The combination of scalable coaxial wet-spinning technology and excellent performance of yarn supercapacitors paves the way to wearable and safe electronics.

Toward Low-Cost, High-Energy Density, and High-Power Density Lithium-Ion Batteries

DOE PAGES

Li, Jianlin; Du, Zhijia; Ruther, Rose E.; ...

2017-06-12

Reducing cost and increasing energy density are two barriers for widespread application of lithium-ion batteries in electric vehicles. Although the cost of electric vehicle batteries has been reduced by ~70% from 2008 to 2015, the current battery pack cost (268/kWh in 2015) is still >2 times what the USABC targets (125/kWh). Even though many advancements in cell chemistry have been realized since the lithium-ion battery was first commercialized in 1991, few major breakthroughs have occurred in the past decade. Therefore, future cost reduction will rely on cell manufacturing and broader market acceptance. Here, this article discusses three major aspects formore » cost reduction: (1) quality control to minimize scrap rate in cell manufacturing; (2) novel electrode processing and engineering to reduce processing cost and increase energy density and throughputs; and (3) material development and optimization for lithium-ion batteries with high-energy density. Insights on increasing energy and power densities of lithium-ion batteries are also addressed.« less

Toward Low-Cost, High-Energy Density, and High-Power Density Lithium-Ion Batteries

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

Li, Jianlin; Du, Zhijia; Ruther, Rose E.

Reducing cost and increasing energy density are two barriers for widespread application of lithium-ion batteries in electric vehicles. Although the cost of electric vehicle batteries has been reduced by ~70% from 2008 to 2015, the current battery pack cost (268/kWh in 2015) is still >2 times what the USABC targets (125/kWh). Even though many advancements in cell chemistry have been realized since the lithium-ion battery was first commercialized in 1991, few major breakthroughs have occurred in the past decade. Therefore, future cost reduction will rely on cell manufacturing and broader market acceptance. Here, this article discusses three major aspects formore » cost reduction: (1) quality control to minimize scrap rate in cell manufacturing; (2) novel electrode processing and engineering to reduce processing cost and increase energy density and throughputs; and (3) material development and optimization for lithium-ion batteries with high-energy density. Insights on increasing energy and power densities of lithium-ion batteries are also addressed.« less

Toward Low-Cost, High-Energy Density, and High-Power Density Lithium-Ion Batteries

NASA Astrophysics Data System (ADS)

Li, Jianlin; Du, Zhijia; Ruther, Rose E.; AN, Seong Jin; David, Lamuel Abraham; Hays, Kevin; Wood, Marissa; Phillip, Nathan D.; Sheng, Yangping; Mao, Chengyu; Kalnaus, Sergiy; Daniel, Claus; Wood, David L.

2017-09-01

Reducing cost and increasing energy density are two barriers for widespread application of lithium-ion batteries in electric vehicles. Although the cost of electric vehicle batteries has been reduced by 70% from 2008 to 2015, the current battery pack cost (268/kWh in 2015) is still >2 times what the USABC targets (125/kWh). Even though many advancements in cell chemistry have been realized since the lithium-ion battery was first commercialized in 1991, few major breakthroughs have occurred in the past decade. Therefore, future cost reduction will rely on cell manufacturing and broader market acceptance. This article discusses three major aspects for cost reduction: (1) quality control to minimize scrap rate in cell manufacturing; (2) novel electrode processing and engineering to reduce processing cost and increase energy density and throughputs; and (3) material development and optimization for lithium-ion batteries with high-energy density. Insights on increasing energy and power densities of lithium-ion batteries are also addressed.

Coaxial wet-spun yarn supercapacitors for high-energy density and safe wearable electronics

PubMed Central

Kou, Liang; Huang, Tieqi; Zheng, Bingna; Han, Yi; Zhao, Xiaoli; Gopalsamy, Karthikeyan; Sun, Haiyan; Gao, Chao

2014-01-01

Yarn supercapacitors have great potential in future portable and wearable electronics because of their tiny volume, flexibility and weavability. However, low-energy density limits their development in the area of wearable high-energy density devices. How to enhance their energy densities while retaining their high-power densities is a critical challenge for yarn supercapacitor development. Here we propose a coaxial wet-spinning assembly approach to continuously spin polyelectrolyte-wrapped graphene/carbon nanotube core-sheath fibres, which are used directly as safe electrodes to assembly two-ply yarn supercapacitors. The yarn supercapacitors using liquid and solid electrolytes show ultra-high capacitances of 269 and 177 mF cm−2 and energy densities of 5.91 and 3.84 μWh cm−2, respectively. A cloth supercapacitor superior to commercial capacitor is further interwoven from two individual 40-cm-long coaxial fibres. The combination of scalable coaxial wet-spinning technology and excellent performance of yarn supercapacitors paves the way to wearable and safe electronics. PMID:24786366

A randomized controlled trial for obesity and binge eating disorder: Low-energy-density dietary counseling and cognitive behavioral therapy

PubMed Central

Masheb, Robin M.; Grilo, Carlos M.; Rolls, Barbara J.

2011-01-01

The present study examined a dietary approach – lowering energy density – for producing weight loss in obese patients with binge eating disorder (BED) who also received cognitive-behavioral therapy (CBT) to address binge eating. Fifty consecutive participants were randomly assigned to either a six-month individual treatment of CBT plus a low-Energy-Density diet (CBT+ED) or CBT plus General Nutrition counseling not related to weight loss (CBT+GN). Assessments occurred at six- and twelve-months. Eighty-six percent of participants completed treatment, and of these, 30% achieved at least a 5% weight loss with rates of binge remission ranging from 55–75%. The two treatments did not differ significantly in weight loss or binge remission outcomes. Significant improvements were found for key dietary and metabolic outcomes, with CBT+ED producing significantly better dietary outcomes on energy density, and fruit and vegetable consumption, than CBT+GN. Reductions in energy density and weight loss were significantly associated providing evidence for the specificity of the treatment effect. These favorable outcomes, and that CBT+ED was significantly better at reducing energy density and increasing fruit and vegetable consumption compared to CBT+GN, suggest that low-energy-density dietary counseling has promise as an effective method for enhancing CBT for obese individuals with BED. PMID:22005587

Social Determinants and Poor Diet Quality of Energy-Dense Diets of Australian Young Adults

PubMed Central

Allman-Farinelli, Margaret

2017-01-01

This research aimed to determine the diet quality and socio-demographic determinants by level of energy-density of diets of Australian young adults. Secondary analysis of the Australian National Nutrition and Physical Activity Survey-2011/2012 for adults aged 18–34 years (n = 2397) was conducted. Diet was assessed by 24-h recalls. Dietary energy-density was calculated as dietary energy/grams of food (kJ/g) and the Healthy-Eating-Index-for-Australians (HEIFA-2013) was used to assess diet quality (highest score = 100). Dietary energy-density was examined with respect to diet quality and sociodemographic determinants including gender, highest tertiary-education attainment, country-of-birth, age, income, and socio-economic-index-for-area (SEIFA). Higher dietary energy-density was associated with lower diet quality scores (β = −3.71, t (2394) = −29.29, p < 0.0001) and included fewer fruits and vegetables, and more discretionary foods. The mean dietary energy-density was 7.7 kJ/g and 7.2 kJ/g for men and women, respectively. Subpopulations most at risk of consuming high energy-dense diets included those with lower education, Australian and English-speaking countries of birth, and men with low income and women from areas of lower socio-economic status. Young adults reporting low energy-dense diets had higher quality diets. Intensive efforts are needed to reduce the high energy-density of young adults’ diets, and should ensure they include populations of lower socio-economic status. PMID:28974029

Social Determinants and Poor Diet Quality of Energy-Dense Diets of Australian Young Adults.

PubMed

Grech, Amanda; Rangan, Anna; Allman-Farinelli, Margaret

2017-10-01

This research aimed to determine the diet quality and socio-demographic determinants by level of energy-density of diets of Australian young adults. Secondary analysis of the Australian National Nutrition and Physical Activity Survey-2011/2012 for adults aged 18-34 years ( n = 2397) was conducted. Diet was assessed by 24-h recalls. Dietary energy-density was calculated as dietary energy/grams of food (kJ/g) and the Healthy-Eating-Index-for-Australians (HEIFA-2013) was used to assess diet quality (highest score = 100). Dietary energy-density was examined with respect to diet quality and sociodemographic determinants including gender, highest tertiary-education attainment, country-of-birth, age, income, and socio-economic-index-for-area (SEIFA). Higher dietary energy-density was associated with lower diet quality scores (β = -3.71, t (2394) = -29.29, p < 0.0001) and included fewer fruits and vegetables, and more discretionary foods. The mean dietary energy-density was 7.7 kJ/g and 7.2 kJ/g for men and women, respectively. Subpopulations most at risk of consuming high energy-dense diets included those with lower education, Australian and English-speaking countries of birth, and men with low income and women from areas of lower socio-economic status. Young adults reporting low energy-dense diets had higher quality diets. Intensive efforts are needed to reduce the high energy-density of young adults' diets, and should ensure they include populations of lower socio-economic status.

Freestanding hierarchically porous carbon framework decorated by polyaniline as binder-free electrodes for high performance supercapacitors

NASA Astrophysics Data System (ADS)

Miao, Fujun; Shao, Changlu; Li, Xinghua; Wang, Kexin; Lu, Na; Liu, Yichun

2016-10-01

Freestanding hierarchically porous carbon electrode materials with favorable features of large surface areas, hierarchical porosity and continuous conducting pathways are very attractive for practical applications in electrochemical devices. Herein, three-dimensional freestanding hierarchically porous carbon (HPC) materials have been fabricated successfully mainly by the facile phase separation method. In order to further improve the energy storage ability, polyaniline (PANI) with high pseudocapacitance has been decorated on HPC through in situ chemical polymerization of aniline monomers. Benefiting from the synergistic effects between HPC and PANI, the resulting HPC/PANI composites as electrode materials present dramatic electrochemical performance with high specific capacitance up to 290 F g-1 at 0.5 A g-1 and good rate capability with ∼86% (248 F g-1) capacitance retention at 64 A g-1 of initial capacitance in three-electrode configuration. Moreover, the as-assembled symmetric supercapacitor based on HPC/PANI composites also demonstrates good capacitive properties with high energy density of 9.6 Wh kg-1 at 223 W kg-1 and long-term cycling stability with 78% capacitance retention after 10 000 cycles. Therefore, this work provides a new approach for designing high-performance electrodes with exceptional electrochemical performance, which are very promising for practical application in the energy storage field.

TEMPO-based catholyte for high-energy density nonaqueous redox flow batteries.

PubMed

Wei, Xiaoliang; Xu, Wu; Vijayakumar, Murugesan; Cosimbescu, Lelia; Liu, Tianbiao; Sprenkle, Vincent; Wang, Wei

2014-12-03

A TEMPO-based non-aqueous electrolyte with the TEMPO concentration as high as 2.0 m is demonstrated as a high-energy-density catholyte for redox flow battery applications. With a hybrid anode, Li|TEMPO flow cells using this electrolyte deliver an energy efficiency of ca. 70% and an impressively high energy density of 126 W h L(-1) . © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Diet density during the first week of life: Effects on energy and nitrogen balance characteristics of broiler chickens.

PubMed

Lamot, D M; Sapkota, D; Wijtten, P J A; van den Anker, I; Heetkamp, M J W; Kemp, B; van den Brand, H

2017-07-01

This study aimed to determine effects of diet density on growth performance, energy balance, and nitrogen (N) balance characteristics of broiler chickens during the first wk of life. Effects of diet density were studied using a dose-response design consisting of 5 dietary fat levels (3.5, 7.0, 10.5, 14.0, and 17.5%). The relative difference in dietary energy level was used to increase amino acid levels, mineral levels, and the premix inclusion level at the same ratio. Chickens were housed in open-circuit climate respiration chambers from d 0 to 7 after hatch. Body weight was measured on d 0 and 7, whereas feed intake was determined daily. For calculation of energy balances, O2 and CO2 exchange were measured continuously and all excreta from d 0 to 7 was collected and analyzed at d 7. Average daily gain (ADG) and average daily feed intake (ADFI) decreased linearly (P = 0.047 and P < 0.001, respectively), whereas gain to feed ratio increased (P < 0.001) with increasing diet density. Gross energy (GE) intake and metabolizable energy (ME) intake were not affected by diet density, but the ratio between ME and GE intake decreased linearly with increasing diet density (P = 0.006). Fat, N, and GE efficiencies (expressed as gain per unit of nutrient intake), heat production, and respiratory exchange ratio (CO2 to O2 ratio) decreased linearly (P < 0.001) as diet density increased. Energy retention, N intake, and N retention were not affected by diet density. We conclude that a higher diet density in the first wk of life of broiler chickens did not affect protein and fat retention, whereas the ME to GE ratio decreased linearly with increased diet density. This suggests that diet density appears to affect digestibility rather than utilization of nutrients. © 2017 Poultry Science Association Inc.

Development of advanced polymer nanocomposite capacitors

NASA Astrophysics Data System (ADS)

Mendoza, Miguel

The current development of modern electronics has driven the need for new series of energy storage devices with higher energy density and faster charge/discharge rate. Batteries and capacitors are two of the most widely used energy storage devices. Compared with batteries, capacitors have higher power density and significant higher charge/discharge rate. Therefore, high energy density capacitors play a significant role in modern electronic devices, power applications, space flight technologies, hybrid electric vehicles, portable defibrillators, and pulse power applications. Dielectric film capacitors represent an exceptional alternative for developing high energy density capacitors due to their high dielectric constants, outstanding breakdown voltages, and flexibility. The implementation of high aspect ratio dielectric inclusions such as nanowires into polymer capacitors could lead to further enhancement of its energy density. Therefore, this research effort is focused on the development of a new series of dielectric capacitors composed of nanowire reinforced polymer matrix composites. This concept of nanocomposite capacitors combines the extraordinary physical and chemical properties of the one-dimension (1D) nanoceramics and high dielectric strength of polymer matrices, leading to a capacitor with improved dielectric properties and energy density. Lead-free sodium niobate (NaNbO3) and lead-containing lead magnesium niobate-lead titanate (0.65PMN-0.35PT) nanowires were synthesized following hydrothermal and sol-gel approaches, respectively. The as-prepared nanowires were mixed with a polyvinylidene fluoride (PVDF) matrix using solution-casting method for nanocomposites fabrication. The dielectric constants and breakdown voltages of the NaNbO3/PVDF and 0.65PMN-0.35PT/PVDF nanocomposites were measured under different frequency ranges and temperatures in order to determine their maximum energy (J/cm3) and specific (J/g) densities. The electrical properties of the synthesized nanoceramics were compared with commercially available barium titanate (BaTiO3) and lead zirconate titanate Pb(ZrxTi1-x)O3 powders embedded into a PVDF matrix. The resulting dielectric film capacitors represent an excellent alternative energy storage device for future high energy density applications.

Thermal conductivity of graphene with defects induced by electron beam irradiation.

PubMed

Malekpour, Hoda; Ramnani, Pankaj; Srinivasan, Srilok; Balasubramanian, Ganesh; Nika, Denis L; Mulchandani, Ashok; Lake, Roger K; Balandin, Alexander A

2016-08-14

We investigate the thermal conductivity of suspended graphene as a function of the density of defects, ND, introduced in a controllable way. High-quality graphene layers are synthesized using chemical vapor deposition, transferred onto a transmission electron microscopy grid, and suspended over ∼7.5 μm size square holes. Defects are induced by irradiation of graphene with the low-energy electron beam (20 keV) and quantified by the Raman D-to-G peak intensity ratio. As the defect density changes from 2.0 × 10(10) cm(-2) to 1.8 × 10(11) cm(-2) the thermal conductivity decreases from ∼(1.8 ± 0.2) × 10(3) W mK(-1) to ∼(4.0 ± 0.2) × 10(2) W mK(-1) near room temperature. At higher defect densities, the thermal conductivity reveals an intriguing saturation-type behavior at a relatively high value of ∼400 W mK(-1). The thermal conductivity dependence on the defect density is analyzed using the Boltzmann transport equation and molecular dynamics simulations. The results are important for understanding phonon - point defect scattering in two-dimensional systems and for practical applications of graphene in thermal management.

Exploration of near the origin and the asymptotic behaviors of the Kohn-Sham kinetic energy density for two-dimensional quantum dot systems with parabolic confinement

NASA Astrophysics Data System (ADS)

Jana, Subrata; Samal, Prasanjit

2018-01-01

The behaviors of the positive definite Kohn-Sham kinetic energy density near the origin and at the asymptotic region play a major role in designing meta-generalized gradient approximations (meta-GGAs) for exchange in low-dimensional quantum systems. It is shown that near the origin of the parabolic quantum dot, the Kohn-Sham kinetic energy differs from its von Weizsäcker counterpart due to the p orbital contributions, whereas in the asymptotic region, the difference between the above two kinetic energy densities goes as ˜ρ/(r ) r2 . All these behaviors have been explored using the two-dimensional isotropic quantum harmonic oscillator as a test case. Several meta-GGA ingredients are then studied by making use of the above findings. Also, the asymptotic conditions for the exchange energy density and the potential at the meta-GGA level are proposed using the corresponding behaviors of the two kinetic energy densities.

High energy density and efficiency achieved in nanocomposite film capacitors via structure modulation

NASA Astrophysics Data System (ADS)

Zeng, Yi; Shen, Zhong-Hui; Shen, Yang; Lin, Yuanhua; Nan, Ce-Wen

2018-03-01

Flexible dielectric polymer films with high energy storage density and high charge-discharge efficiency have been considered as promising materials for electrical power applications. Here, we design hierarchical structured nanocomposite films using nonlinear polymer poly(vinylidene fluoride-HFP) [P(VDF-HFP)] with inorganic h-boron nitride (h-BN) nanosheets by electrospinning and hot-pressing methods. Our results show that the addition of h-BN nanosheets and the design of the hierarchical multilayer structure in the nanocomposites can remarkably enhance the charge-discharge efficiency and energy density. A high charge-discharge efficiency of 78% and an energy density of 21 J/cm3 can be realized in the 12-layered PVDF/h-BN nanocomposite films. Phase-field simulation results reveal that the spatial distribution of the electric field in these hierarchical structured films affects the charge-discharge efficiency and energy density. This work provides a feasible route, i.e., structure modulation, to improve the energy storage performances for nanocomposite films.

Exploration of near the origin and the asymptotic behaviors of the Kohn-Sham kinetic energy density for two-dimensional quantum dot systems with parabolic confinement.

PubMed

Jana, Subrata; Samal, Prasanjit

2018-01-14

The behaviors of the positive definite Kohn-Sham kinetic energy density near the origin and at the asymptotic region play a major role in designing meta-generalized gradient approximations (meta-GGAs) for exchange in low-dimensional quantum systems. It is shown that near the origin of the parabolic quantum dot, the Kohn-Sham kinetic energy differs from its von Weizsäcker counterpart due to the p orbital contributions, whereas in the asymptotic region, the difference between the above two kinetic energy densities goes as ∼ρ(r)r 2 . All these behaviors have been explored using the two-dimensional isotropic quantum harmonic oscillator as a test case. Several meta-GGA ingredients are then studied by making use of the above findings. Also, the asymptotic conditions for the exchange energy density and the potential at the meta-GGA level are proposed using the corresponding behaviors of the two kinetic energy densities.

Energy-dense fast food products cost less: an observational study of the energy density and energy cost of Australian fast foods.

PubMed

Wellard, Lyndal; Havill, Michelle; Hughes, Clare; Watson, Wendy L; Chapman, Kathy

2015-12-01

To examine the association between energy cost and energy density of fast food products. Twenty Sydney outlets of the five largest fast food chains were surveyed four times. Price and kilojoule data were collected for all limited-time-only menu items (n=54) and a sample of standard items (n=67). Energy cost ($/kilojoule) and energy density (kilojoules/gram) of menu items were calculated. There was a significant inverse relationship between menu item energy density and energy cost (p<0.001). Salads had the highest energy cost, while value items, meals that included a dessert and family meals had the lowest. Fast food chains could provide a wider range of affordable, lower-energy foods, use proportional pricing of larger serve sizes, or change defaults in meals to healthier options. More research is required to determine the most effective strategy to reduce the negative impact of fast food on the population's diet. Current pricing in the fast food environment may encourage unhealthier purchases. © 2015 Public Health Association of Australia.

Solar fuels production by artificial photosynthesis

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

Ager, Joel W., E-mail: JWAger@lbl.gov; Lee, Min-Hyung; Javey, Ali

2013-12-10

A practical method to use sunlight to generate storable chemical energy could dramatically change the landscape of global energy generation. One of the fundamental requirements of such an “artificial photosynthesis” scheme is a light capture and conversion approach capable of generating the required chemical potentials (e.g. >1.23 V for splitting water into H{sub 2} and O{sub 2}). An approach based on inorganic light absorbers coupled directly to oxidation and reduction catalysts is being developed in the Joint Center for Artificial Photosynthesis (JCAP). P-type III-V semiconductors with a high surface area can be used as high current density photocathodes. The longevitymore » under operation of these photocathodes can be improved by the use of conformal metal oxides deposited by atomic layer deposition.« less

Large-scale synthesis of hybrid metal oxides through metal redox mechanism for high-performance pseudocapacitors

PubMed Central

Ren, Zhonghua; Li, Jianpeng; Ren, Yaqi; Wang, Shuguang; Qiu, Yejun; Yu, Jie

2016-01-01

Electrochemical performance and production cost are the main concerns for the practical application of supercapacitors. Here we report a simple and universally applicable method to prepare hybrid metal oxides by metal redox reaction utilizing the inherent reducibility of metals and oxidbility of for the first time. As an example, Ni(OH)2/MnO2 hybrid nanosheets (NMNSs) are grown for supercapacitor application by self-reaction of Ni foam substrates in KMnO4 solution at room temperature. The obtained hybrid nanosheets exhibit high specific capacitance (2,937 F g−1). The assembled solid-state asymmetric pseudocapacitors possess ultrahigh energy density of 91.13 Wh kg−1 (at the power density of 750 W kg−1) and extraordinary cycling stability with 92.28% capacitance retention after 25,000 cycles. Co(OH)2/MnO2 and Fe2O3/MnO2 hybrid oxides are also synthesized through this metal redox mechanism. This green and low-cost method is capable of large-scale production and one-step preparation of the electrodes, holding promise for practical application of high-performance pseudocapacitors. PMID:26805027

An explanation for the tiny value of the cosmological constant and the low vacuum energy density

NASA Astrophysics Data System (ADS)

Nassif, Cláudio

2015-09-01

The paper aims to provide an explanation for the tiny value of the cosmological constant and the low vacuum energy density to represent the dark energy. To accomplish this, we will search for a fundamental principle of symmetry in space-time by means of the elimination of the classical idea of rest, by including an invariant minimum limit of speed in the subatomic world. Such a minimum speed, unattainable by particles, represents a preferred reference frame associated with a background field that breaks down the Lorentz symmetry. The metric of the flat space-time shall include the presence of a uniform vacuum energy density, which leads to a negative pressure at cosmological length scales. Thus, the equation of state for the cosmological constant [ p(pressure) (energy density)] naturally emerges from such a space-time with an energy barrier of a minimum speed. The tiny values of the cosmological constant and the vacuum energy density will be successfully obtained, being in agreement with the observational results of Perlmutter, Schmidt and Riess.

Vacuum Energy and Inflation: 3. Newtonian Cosmology & GR

ERIC Educational Resources Information Center

Huggins, Elisha

2013-01-01

This is paper #3 in a series of four papers on "vacuum energy" and inflation. In paper #1 [see EJ1024183] we discussed an example of what we have been calling vacuum energy. It is an energy with negative pressure whose energy density remains constant in an expanding space. We showed that an energy density with these properties exists…

On the effective Stefan-Boltzmann law and the thermodynamic origin of the initial radiation density in warm inflation

NASA Astrophysics Data System (ADS)

Gim, Yongwan; Kim, Wontae

2018-01-01

In this presentation, we are going to explain the thermodynamic origin of warm inflation scenarios by using the effetive Stefan-Boltzmann law. In the warm inflation scenarios, radiation always exists to avoid the graceful exit problem, for which the radiation energy density should be assumed to be finite at the starting point of the warm inflation. To find out the origin of the non-vanishing initial radiation energy density, we derive an effective Stefan-Boltzmann law by considering the non-vanishing trace of the total energy-momentum tensors. The effective Stefan-Boltzmann law successfully shows where the initial radiation energy density is thermodynamically originated from. And by using the above effective Stefan-Boltzmann law, we also study the cosmological scalar perturbation, and obtain the sufficient radiation energy density in order for GUT baryogenesis at the end of inflation. This proceeding is based on Ref. [1

UV irradiation-induced Raman spectra changes in lead silicate glasses

NASA Astrophysics Data System (ADS)

Jia, Hongzhi; Chen, Guanghui; Wang, Wencheng

2006-12-01

The Raman spectra for a series of lead silicate glasses with different PbO content before and after irradiation with different energy density by the frequency-quadrupled output of a Q-switched YAG laser (266 nm, 10 Hz repetition rate) were measured. The intensity of Pb-O band near 140 cm -1 in the Raman spectra decreases after UV irradiation and no new band appears in the Raman spectra. Exposed to the UV beam with high energy density (150 mJ/cm 2), although the total dose is smaller than the dose with low energy density (50 mJ/cm 2), the intensity of the 140 cm -1 band drops heavilier than exposed to the UV beam with low energy density. This shows that the UV irradiation can cause the broken of Pb-O bond in lead silicate glasses and the broken of Pb-O bond is related to the energy density of UV beam.

Energetics and Birth Rates of Supernova Remnants in the Large Magellanic Cloud

NASA Astrophysics Data System (ADS)

Leahy, D. A.

2017-03-01

Published X-ray emission properties for a sample of 50 supernova remnants (SNRs) in the Large Magellanic Cloud (LMC) are used as input for SNR evolution modeling calculations. The forward shock emission is modeled to obtain the initial explosion energy, age, and circumstellar medium density for each SNR in the sample. The resulting age distribution yields a SNR birthrate of 1/(500 yr) for the LMC. The explosion energy distribution is well fit by a log-normal distribution, with a most-probable explosion energy of 0.5× {10}51 erg, with a 1σ dispersion by a factor of 3 in energy. The circumstellar medium density distribution is broader than the explosion energy distribution, with a most-probable density of ˜0.1 cm-3. The shape of the density distribution can be fit with a log-normal distribution, with incompleteness at high density caused by the shorter evolution times of SNRs.

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

Alfonso Hernandez, Laura; Nelson, Tammie Renee; Gelin, Maxim F.

The interchromophoric energy-transfer pathways between weakly coupled units in a π-conjugated phenylene–ethynylene macrocycle and its half-ring analogue have been investigated using the nonadiabatic excited-state molecular dynamics approach. To track the flow of electronic transition density between macrocycle units, we formulate a transition density flux analysis adapted from the statistical minimum flow method previously developed to investigate vibrational energy flow. Following photoexcitation, transition density is primarily delocalized on two chromophore units and the system undergoes ultrafast energy transfer, creating a localized excited state on a single unit. In the macrocycle, distinct chromophore units donate transition density to a single acceptor unitmore » but do not interchange transition density among each other. We find that energy transfer in the macrocycle is slower than in the corresponding half ring because of the presence of multiple interfering energy-transfer pathways. Finally, simulation results are validated by modeling the fluorescence anisotropy decay.« less

Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

NASA Astrophysics Data System (ADS)

Seino, Junji; Kageyama, Ryo; Fujinami, Mikito; Ikabata, Yasuhiro; Nakai, Hiromi

2018-06-01

A semi-local kinetic energy density functional (KEDF) was constructed based on machine learning (ML). The present scheme adopts electron densities and their gradients up to third-order as the explanatory variables for ML and the Kohn-Sham (KS) kinetic energy density as the response variable in atoms and molecules. Numerical assessments of the present scheme were performed in atomic and molecular systems, including first- and second-period elements. The results of 37 conventional KEDFs with explicit formulae were also compared with those of the ML KEDF with an implicit formula. The inclusion of the higher order gradients reduces the deviation of the total kinetic energies from the KS calculations in a stepwise manner. Furthermore, our scheme with the third-order gradient resulted in the closest kinetic energies to the KS calculations out of the presented functionals.

Effects of Differing Energy Dependences in Three Level-Density Models on Calculated Cross Sections

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

Fu, C.Y.

2000-07-15

Three level-density formalisms commonly used for cross-section calculations are examined. Residual nuclides in neutron interaction with {sup 58}Ni are chosen to quantify the well-known differences in the energy dependences of the three formalisms. Level-density parameters for the Gilbert and Cameron model are determined from experimental information. Parameters for the back-shifted Fermi-gas and generalized superfluid models are obtained by fitting their level densities at two selected energies for each nuclide to those of the Gilbert and Cameron model, forcing the level densities of the three models to be as close as physically allowed. The remaining differences are in their energy dependencesmore » that, it is shown, can change the calculated cross sections and particle emission spectra significantly, in some cases or energy ranges by a factor of 2.« less

Integration of high capacity materials into interdigitated mesostructured electrodes for high energy and high power density primary microbatteries

NASA Astrophysics Data System (ADS)

Pikul, James H.; Liu, Jinyun; Braun, Paul V.; King, William P.

2016-05-01

Microbatteries are increasingly important for powering electronic systems, however, the volumetric energy density of microbatteries lags behind that of conventional format batteries. This paper reports a primary microbattery with energy density 45.5 μWh cm-2 μm-1 and peak power 5300 μW cm-2 μm-1, enabled by the integration of large volume fractions of high capacity anode and cathode chemistry into porous micro-architectures. The interdigitated battery electrodes consist of a lithium metal anode and a mesoporous manganese oxide cathode. The key enabler of the high energy and power density is the integration of the high capacity manganese oxide conversion chemistry into a mesostructured high power interdigitated bicontinuous cathode architecture and an electrodeposited dense lithium metal anode. The resultant energy density is greater than previously reported three-dimensional microbatteries and is comparable to commercial conventional format lithium-based batteries.

Energy density of ionospheric and solar wind origin ions in the near-Earth magnetotail during substorms

NASA Technical Reports Server (NTRS)

Daglis, Loannis A.; Livi, Stefano; Sarris, Emmanuel T.; Wilken, Berend

1994-01-01

Comprehensive energy density studies provide an important measure of the participation of various sources in energization processes and have been relatively rare in the literature. We present a statistical study of the energy density of the near-Earth magnetotail major ions (H(+), O(+), He(++), He(+)) during substorm expansion phase and discuss its implications for the solar wind/magnetosphere/ionosphere coupling. Our aim is to examine the relation between auroral activity and the particle energization during substorms through the correlation between the AE indices and the energy density of the major magnetospheric ions. The data we used here were collected by the charge-energy-mass (CHEM) spectrometer on board the Active Magnetospheric Particle Trace Explorer (AMPTE)/Charge Composition Explorer (CCE) satellite in the near-equatorial nightside magnetosphere, at geocentric distances approximately 7 to 9 R(sub E). CHEM provided the opportunity to conduct the first statistical study of energy density in the near-Earth magnetotail with multispecies particle data extending into the higher energy range (greater than or equal to 20 keV/E). the use of 1-min AE indices in this study should be emphasized, as the use (in previous statistical studies) of the (3-hour) Kp index or of long-time averages of AE indices essentially smoothed out all the information on substorms. Most distinct feature of our study is the excellent correlation of O(+) energy density with the AE index, in contrast with the remarkably poor He(++) energy density - AE index correlation. Furthermore, we examined the relation of the ion energy density to the electrojet activity during substorm growth phase. The O(+) energy density is strongly correlated with the pre-onset AU index, that is the eastward electrojet intensity, which represents the growth phase current system. Our investigation shows that the near-Earth magnetotail is increasingly fed with energetic ionospheric ions during periods of enhanced dissipation of auroral currents. The participation of the ionosphere in the substorm energization processes seems to be closely, although not solely, associated with the solar wind/magnetosphere coupling. That is, the ionosphere influences actively the substorm energization processes by responding to the increased solar wind/magnetosphere coupling as well as to the unloading dissipation of stored energy, with the increased feeding of new material into the magnetosphere.

Vacuum energy density kicked by the electroweak crossover

NASA Astrophysics Data System (ADS)

Klinkhamer, F. R.; Volovik, G. E.

2009-10-01

Using q-theory, we show that the electroweak crossover can generate a remnant vacuum energy density Λ˜Eew8/EPlanck4, with effective electroweak energy scale Eew˜103GeV and reduced Planck-energy scale EPlanck˜1018GeV. The obtained expression for the effective cosmological constant Λ may be a crucial input for the suggested solution by Arkani-Hamed et al. of the triple cosmic coincidence puzzle (why the orders of magnitude of the energy densities of vacuum, matter, and radiation are approximately the same in the present Universe).

Method and apparatus for ceramic analysis

DOEpatents

Jankowiak, Ryszard J.; Schilling, Chris; Small, Gerald J.; Tomasik, Piotr

2003-04-01

The present invention relates to a method and apparatus for ceramic analysis, in particular, a method for analyzing density, density gradients and/or microcracks, including an apparatus with optical instrumentation for analysis of density, density gradients and/or microcracks in ceramics. The method provides analyzing density of a ceramic comprising exciting a component on a surface/subsurface of the ceramic by exposing the material to excitation energy. The method may further include the step of obtaining a measurement of an emitted energy from the component. The method may additionally include comparing the measurement of the emitted energy from the component with a predetermined reference measurement so as to obtain a density for said ceramic.

Ultimate energy density of observable cold baryonic matter.

PubMed

Lattimer, James M; Prakash, Madappa

2005-03-25

We demonstrate that the largest measured mass of a neutron star establishes an upper bound to the energy density of observable cold baryonic matter. An equation of state-independent expression satisfied by both normal neutron stars and self-bound quark matter stars is derived for the largest energy density of matter inside stars as a function of their masses. The largest observed mass sets the lowest upper limit to the density. Implications from existing and future neutron star mass measurements are discussed.

Substrate Engineered Interconnected Graphene Electrodes with Ultrahigh Energy and Power Densities for Energy Storage Applications.

PubMed

Chaichi, Ardalan; Wang, Ying; Gartia, Manas Ranjan

2018-06-27

Supercapacitors combine the advantages of electrochemical storage technologies such as high energy density batteries and high power density capacitors. At 5-10 W h kg -1 , the energy densities of current supercapacitors are still significantly lower than the energy densities of lead acid (20-35 W h kg -1 ), Ni-metal hydride (40-100 W h kg -1 ), and Li-ion (120-170 W h kg -1 ) batteries. Recently, graphene-based supercapacitors have shown an energy density of 40-80 W h kg -1 . However, their performance is mainly limited because of the reversible agglomeration and restacking of individual graphene layers caused by π-π interactions. The restacking of graphene layers leads to significant decrease of ion-accessible surface area and the low capacitance of graphene-based supercapacitors. Here, we introduce a microstructure substrate-based method to produce a fully delaminated and stable interconnected graphene structure using flash reduction of graphene oxide in a few seconds. With this structure, we achieve the highest amount of volumetric capacitance obtained so far by any type of a pure carbon-based material. The affordable and scalable production method is capable of producing electrodes with an energy density of 0.37 W h cm -3 and a power density of 416.6 W cm -3 . This electrode maintained more than 91% of its initial capacitance after 5000 cycles. Moreover, combining with ionic liquid, this solvent-free graphene electrode material is highly promising for on-chip electronics, micro-supercapacitors, as well as high-power applications.

Kaon condensation in dense matter

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

Carlson, J.; Heiselberg, H.; Pandharipande, V. R.

The kaon energy in neutron matter is calculated analytically with the Klein-Gordon equation, by making a Wigner-Seitz cell approximation and employing a K{sup -}N square well potential. The transition from the low density Lenz potential, proportional to scattering length, to the high density Hartree potential is found to begin at fairly low densities. Exact nonrelativistic calculations of the kaon energy in a simple cubic crystal of neutrons are used to test the Wigner-Seitz and the Ericson-Ericson approximation methods. In this case the frequently used Erickson-Erickson approximation is found to be fairly accurate up to twice nuclear matter density. All themore » calculations indicate that by {approx}4 times nuclear matter density the Hartree limit is reached. We also show that in the Hartree limit the energy of zero momentum kaons does not have relativistic energy dependent factors present in the low density expansions. The results indicate that the density for kaon condensation is higher than previously estimated.« less

Study of the underlying event at forward rapidity in pp collisions at $$ \\sqrt{s}=0.9,2.76,\\;\\mathrm{and}\\;7\\;\\mathrm{TeV} $$

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

Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.

The underlying event activity in proton-proton collisions at forward pseudo-rapidity (-6.6 < η < -5.2) is studied with the CMS detector at the LHC, using a novel observable: the ratio of the forward energy density, dE/dη, for events with a charged-particle jet produced at central pseudorapidity (|η jet| < 2) to the forward energy density for inclusive events. This forward energy density ratio is measured as a function of the central jet transverse momentum, p (T), at three different pp centre-of-mass energies (more » $$\\sqrt{s}$$ = 0.9, 2.76, and 7 TeV). In addition, the evolution of the forward energy density is studied in inclusive events and in events with a central jet. The results are compared to those of Monte Carlo event generators for pp collisions and are discussed in terms of the underlying event. Whereas the dependence of the forward energy density ratio on jet p T at each separately can be well reproduced by some models, all models fail to simultaneously describe the increase of the forward energy density with in both inclusive events and in events with a central jet.« less

Ion composition of the bulk ring current during a magnetic storm - Observations with the CHEM-instrument on AMPTE-CCE

NASA Technical Reports Server (NTRS)

Stuedemann, W.; Wilken, B.; Kremser, G.; Gloeckler, G.; Ipavich, F. M.

1986-01-01

Ion composition measurements in the entire energy range of the ring current population, obtained with the Charge-, Energy-, Mass-spectrometer instrument on the Charge Composition Explorer in September 1984, are reported. From the energy spectra obtained for all major constituents during the main phase of a magnetic storm, the number densities, energy densities, and mean energies are calculated and displayed as radial profiles. The mean energies of He(2+) are found to be about twice that of H(+) and He(+) throughout this storm, and the time profiles for the mean energies of all major ions are seen to bunch together (when normalizing mean energies by the ionic charge), with the largest variations of the energy densities and mean energies occurring for O(+) ions.

High-efficiency acceleration in the laser wakefield by a linearly increasing plasma density

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

Dong, Kegong; Wu, Yuchi; Zhu, Bin

The acceleration length and the peak energy of the electron beam are limited by the dephasing effect in the laser wakefield acceleration with uniform plasma density. Based on 2D-3V particle in cell simulations, the effects of a linearly increasing plasma density on the electron acceleration are investigated broadly. Comparing with the uniform plasma density, because of the prolongation of the acceleration length and the gradually increasing accelerating field due to the increasing plasma density, the electron beam energy is twice higher in moderate nonlinear wakefield regime. Because of the lower plasma density, the linearly increasing plasma density can also avoidmore » the dark current caused by additional injection. At the optimal acceleration length, the electron energy can be increased from 350 MeV (uniform) to 760 MeV (linearly increasing) with the energy spread of 1.8%, the beam duration is 5 fs and the beam waist is 1.25 μm. This linearly increasing plasma density distribution can be achieved by a capillary with special gas-filled structure, and is much more suitable for experiment.« less

Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

NASA Astrophysics Data System (ADS)

Liu, Xianglin; Wang, Yang; Eisenbach, Markus; Stocks, G. Malcolm

2018-03-01

The Green function plays an essential role in the Korringa-Kohn-Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn-Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). The pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. By using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.

High-Performanced Cathode with a Two-Layered R-P Structure for Intermediate Temperature Solid Oxide Fuel Cells.

PubMed

Huan, Daoming; Wang, Zhiquan; Wang, Zhenbin; Peng, Ranran; Xia, Changrong; Lu, Yalin

2016-02-01

Driven by the mounting concerns on global warming and energy crisis, intermediate temperature solid-oxide fuel cells (IT-SOFCs) have attracted special attention for their high fuel efficiency, low toxic gas emission, and great fuel flexibility. A key obstacle to the practical operation of IT-SOFCs is their sluggish oxygen reduction reaction (ORR) kinetics. In this work, we applied a new two-layered Ruddlesden-Popper (R-P) oxide, Sr3Fe2O7-δ (SFO), as the material for oxygen ion conducting IT-SOFCs. Density functional theory calculation suggested that SFO has extremely low oxygen ion formation energy and considerable energy barrier for O(2-) diffusion. Unfortunately, the stable SrO surface of SFO was demonstrated to be inert to O2 adsorption and dissociation reaction, and thus restricts its catalytic activity toward ORR. Based on this observation, Co partially substituted SFO (SFCO) was then synthesized and applied to improve its surface vacancy concentration to accelerate the oxygen adsorptive reduction reaction rate. Electrochemical performance results suggested that the cell using the SFCO single phase cathode has a peak power density of 685 mW cm(-2) at 650 °C, about 15% higher than those when using LSCF cathode. Operating at 200 mA cm(-2), the new cell using SFCO is quite stable within the 100-h' test.

Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

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

Liu, Xianglin; Wang, Yang; Eisenbach, Markus

The Green function plays an essential role in the Korringa–Kohn–Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn–Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). Themore » pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. Here, by using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.« less

Lateral terahertz hot-electron bolometer based on an array of Sn nanothreads in GaAs

NASA Astrophysics Data System (ADS)

Ponomarev, D. S.; Lavrukhin, D. V.; Yachmenev, A. E.; Khabibullin, R. A.; Semenikhin, I. E.; Vyurkov, V. V.; Ryzhii, M.; Otsuji, T.; Ryzhii, V.

2018-04-01

We report on the proposal and the theoretical and experimental studies of the terahertz hot-electron bolometer (THz HEB) based on a gated GaAs structure like the field-effect transistor with the array of parallel Sn nanothreads (Sn-NTs). The operation of the HEB is associated with an increase in the density of the delocalized electrons due to their heating by the incoming THz radiation. The quantum and the classical device models were developed, the quantum one was based on the self-consistent solution of the Poisson and Schrödinger equations, the classical model involved the Poisson equation and density of states omitting quantization. We calculated the electron energy distributions in the channels formed around the Sn-NTs for different gate voltages and found the fraction of the delocalized electrons propagating across the energy barriers between the NTs. Since the fraction of the delocalized electrons strongly depends on the average electron energy (effective temperature), the proposed THz HEB can exhibit an elevated responsivity compared with the HEBs based on more standard heterostructures. Due to a substantial anisotropy of the device structure, the THz HEB may demonstrate a noticeable polarization selectivity of the response to the in-plane polarized THz radiation. The features of the THz HEB might be useful in their practical applications in biology, medicine and material science.

Space-Confined Earth-Abundant Bifunctional Electrocatalyst for High-Efficiency Water Splitting.

PubMed

Tang, Yanqun; Fang, Xiaoyu; Zhang, Xin; Fernandes, Gina; Yan, Yong; Yan, Dongpeng; Xiang, Xu; He, Jing

2017-10-25

Hydrogen generation from water splitting could be an alternative way to meet increasing energy demands while also balancing the impact of energy being supplied by fossil-based fuels. The efficacy of water splitting strongly depends on the performance of electrocatalysts. Herein, we report a unique space-confined earth-abundant electrocatalyst having the bifunctionality of simultaneous hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), leading to high-efficiency water splitting. Outperforming Pt/C or RuO 2 catalysts, this mesoscopic, space-confined, bifunctional configuration is constructed from a monolithic zeolitic imidazolate framework@layered double hydroxide (ZIF@LDH) precursor on Ni foam. Such a confinement leads to a high dispersion of ultrafine Co 3 O 4 nanoparticles within the N-doped carbon matrix by temperature-dependent calcination of the ZIF@LDH. We demonstrate that the OER has an overpotential of 318 mV at a current density of 10 mA cm -2 , while that of HER is -106 mV @ -10 mA cm -2 . The voltage applied to a two-electrode cell for overall water splitting is 1.59 V to achieve a stable current density of 10 mA cm -2 while using the monolithic catalyst as both the anode and the cathode. It is anticipated that our space-confined method, which focuses on earth-abundant elements with structural integrity, may provide a novel and economically sound strategy for practical energy conversion applications.

Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

DOE PAGES

Liu, Xianglin; Wang, Yang; Eisenbach, Markus; ...

2017-10-28

The Green function plays an essential role in the Korringa–Kohn–Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn–Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). Themore » pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. Here, by using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.« less

Measurements relating fire radiative energy density and surface fuel consumption - RxCADRE 2011 and 2012

Treesearch

Andrew T. Hudak; Matthew B. Dickinson; Benjamin C. Bright; Robert L. Kremens; E. Louise Loudermilk; Joseph J. O' Brien; Benjamin S. Hornsby; Roger D. Ottmar

2016-01-01

Small-scale experiments have demonstrated that fire radiative energy is linearly related to fuel combusted but such a relationship has not been shown at the landscape level of prescribed fires. This paper presents field and remotely sensed measures of pre-fire fuel loads, consumption, fire radiative energy density (FRED) and fire radiative power flux density (FRFD),...

Associations Between Dietary Energy Density in Mothers and Growth of Breastfeeding Infants During the First 4 Months of Life.

PubMed

Moradi, Maedeh; Maracy, Mohammad R; Esmaillzadeh, Ahmad; Surkan, Pamela J; Azadbakht, Leila

2018-05-31

Despite the overwhelming impact of dietary energy density on the quality of the entire diet, no research has investigated dietary energy density among lactating mothers. Hence, the present study was undertaken to assess the influence of maternal dietary energy density during lactation on infant growth. Three hundred healthy lactating mother-infant pairs were enrolled in the study. Detailed demographic information and dietary intake data were collected from the lactating mothers. Anthropometric features such as infant weight, height, and head circumference at birth and 2 and 4 months and mother's pregnancy and postpartum weight and height were derived from health center records. Data on physical activity were reported using the International Physical Activity Questionnaire. After adjusting for confounding variables, infant weight, length, weight-for-height, and head circumference at birth, 2 months, and 4 months did not show significant differences among four dietary energy density categories (all p values > 0.01). Our study showed no association among quartiles of dietary energy density among lactating mothers and infant weight, length, weight-for-height, and head circumference growth by 2 and 4 months of age.

Development of a standardized measure to assess food quality: a proof of concept.

PubMed

Jomaa, L H; Hwalla, N C; Zidek, J M

2016-11-09

Food-based dietary guidelines are promoted to improve diet quality. In applying dietary recommendations, such as the MyPlate, the number of servings in a food group is the unit of measure used to make food selections. However, within each food group, different foods can vary greatly in their nutritional quality despite often having similar energy (caloric) values. This study aimed to develop a novel unit of measure that accounts for both the quantity of energy and the quality of nutrients, as defined by caloric and micronutrient density, respectively, in foods and to demonstrate its usability in identifying high quality foods within a food group. A standardized unit of measure reflecting the quality of kilocalories for nutrition (qCaln) was developed through a mathematical function dependent on the energy content (kilocalories per 100 g) and micronutrient density of foods items within a food group. Nutrition composition of 1806 food items was extracted from the USDA nutrient database. For each food item analyzed, qCaln ratios were calculated to compare qCaln to its caloric content. Finally, a case example was developed comparing two plates adapted from the MyPlate. Examples of food items with highest and lowest qCaln ratios were displayed for five food groups: vegetables, fruits/fruit juices, milk/dairy products, meats/meat alternatives, and breads/cereals. Additionally, the applicability of the qCaln was presented through comparing two plates, adopted from the USDA MyPlate, to show differences in food quality. The newly developed qCaln measure can be used to rank foods in terms of their nutrient density while accounting for their energy content. The proposed metric can provide consumers, public health professionals, researchers, and policy makers with an easy-to-understand measure of food quality and a practical tool to assess diet quality among individuals and population groups.

High-energy supercapacitors based on hierarchical porous carbon with an ultrahigh ion-accessible surface area in ionic liquid electrolytes

NASA Astrophysics Data System (ADS)

Zhong, Hui; Xu, Fei; Li, Zenghui; Fu, Ruowen; Wu, Dingcai

2013-05-01

A very important yet really challenging issue to address is how to greatly increase the energy density of supercapacitors to approach or even exceed those of batteries without sacrificing the power density. Herein we report the fabrication of a new class of ultrahigh surface area hierarchical porous carbon (UHSA-HPC) based on the pore formation and widening of polystyrene-derived HPC by KOH activation, and highlight its superior ability for energy storage in supercapacitors with ionic liquid (IL) as electrolyte. The UHSA-HPC with a surface area of more than 3000 m2 g-1 shows an extremely high energy density, i.e., 118 W h kg-1 at a power density of 100 W kg-1. This is ascribed to its unique hierarchical nanonetwork structure with a large number of small-sized nanopores for IL storage and an ideal meso-/macroporous network for IL transfer.A very important yet really challenging issue to address is how to greatly increase the energy density of supercapacitors to approach or even exceed those of batteries without sacrificing the power density. Herein we report the fabrication of a new class of ultrahigh surface area hierarchical porous carbon (UHSA-HPC) based on the pore formation and widening of polystyrene-derived HPC by KOH activation, and highlight its superior ability for energy storage in supercapacitors with ionic liquid (IL) as electrolyte. The UHSA-HPC with a surface area of more than 3000 m2 g-1 shows an extremely high energy density, i.e., 118 W h kg-1 at a power density of 100 W kg-1. This is ascribed to its unique hierarchical nanonetwork structure with a large number of small-sized nanopores for IL storage and an ideal meso-/macroporous network for IL transfer. Electronic supplementary information (ESI) available: Sample preparation, material characterization, electrochemical characterization and specific mass capacitance and energy density. See DOI: 10.1039/c3nr00738c

High-Energy Space Propulsion Based on Magnetized Target Fusion

NASA Technical Reports Server (NTRS)

Thio, Y. C. F.; Freeze, B.; Kirkpatrick, R. C.; Landrum, B.; Gerrish, H.; Schmidt, G. R.

1999-01-01

A conceptual study is made to explore the feasibility of applying magnetized target fusion (MTF) to space propulsion for omniplanetary travel. Plasma-jet driven MTF not only is highly amenable to space propulsion, but also has a number of very attractive features for this application: 1) The pulsed fusion scheme provides in situ a very dense hydrogenous liner capable of moderating the neutrons, converting more than 97% of the neutron energy into charged particle energy of the fusion plasma available for propulsion. 2) The fusion yield per pulse can be maintained at an attractively low level (< 1 GJ) despite a respectable gain in excess of 70. A compact, low-weight engine is the result. An engine with a jet power of 25 GW, a thrust of 66 kN, and a specific impulse of 77,000 s, can be achieved with an overall engine mass of about 41 metric tons, with a specific power density of 605 kW/kg, and a specific thrust density of 1.6 N/kg. The engine is rep-rated at 40 Hz to provide this power and thrust level. At a practical rep-rate limit of 200 Hz, the engine can deliver 128 GW jet power and 340 kN of thrust, at specific power and thrust density of 1,141 kW/kg and 3 N/kg respectively. 3) It is possible to operate the magnetic nozzle as a magnetic flux compression generator in this scheme, while attaining a high nozzle efficiency of 80% in converting the spherically radial momentum of the fusion plasma to an axial impulse. 4) A small fraction of the electrical energy generated from the flux compression is used directly to recharge the capacitor bank and other energy storage equipment, without the use of a highvoltage DC power supply. A separate electrical generator is not necessary. 5) Due to the simplicity of the electrical circuit and the components, involving mainly inductors, capacitors, and plasma guns, which are connected directly to each other without any intermediate equipment, a high rep-rate (with a maximum of 200 Hz) appears practicable. 6) All fusion related components are within the current state of the art for pulsed power technology. Experimental facilities with the required pulsed power capabilities already exist. 7) The scheme does not require prefabricated fuel target and liner hardware in any esoteric form or state. All necessary fuel and liner material are introduced into the engine in the form of ordinary matter in gaseous state at room temperature, greatly simplifying their handling on board. They are delivered into the fusion reaction chamber in a completely standoff manner.

Estimating food portions. Influence of unit number, meal type and energy density.

PubMed

Almiron-Roig, Eva; Solis-Trapala, Ivonne; Dodd, Jessica; Jebb, Susan A

2013-12-01

Estimating how much is appropriate to consume can be difficult, especially for foods presented in multiple units, those with ambiguous energy content and for snacks. This study tested the hypothesis that the number of units (single vs. multi-unit), meal type and food energy density disrupts accurate estimates of portion size. Thirty-two healthy weight men and women attended the laboratory on 3 separate occasions to assess the number of portions contained in 33 foods or beverages of varying energy density (1.7-26.8 kJ/g). Items included 12 multi-unit and 21 single unit foods; 13 were labelled "meal", 4 "drink" and 16 "snack". Departures in portion estimates from reference amounts were analysed with negative binomial regression. Overall participants tended to underestimate the number of portions displayed. Males showed greater errors in estimation than females (p=0.01). Single unit foods and those labelled as 'meal' or 'beverage' were estimated with greater error than multi-unit and 'snack' foods (p=0.02 and p<0.001 respectively). The number of portions of high energy density foods was overestimated while the number of portions of beverages and medium energy density foods were underestimated by 30-46%. In conclusion, participants tended to underestimate the reference portion size for a range of food and beverages, especially single unit foods and foods of low energy density and, unexpectedly, overestimated the reference portion of high energy density items. There is a need for better consumer education of appropriate portion sizes to aid adherence to a healthy diet. Copyright © 2013 The Authors. Published by Elsevier Ltd.. All rights reserved.

Spinning solutions in general relativity with infinite central density

NASA Astrophysics Data System (ADS)

Flammer, P. D.

2018-05-01

This paper presents general relativistic numerical simulations of uniformly rotating polytropes. Equations are developed using MSQI coordinates, but taking a logarithm of the radial coordinate. The result is relatively simple elliptical differential equations. Due to the logarithmic scale, we can resolve solutions with near-singular mass distributions near their center, while the solution domain extends many orders of magnitude larger than the radius of the distribution (to connect with flat space-time). Rotating solutions are found with very high central energy densities for a range of adiabatic exponents. Analytically, assuming the pressure is proportional to the energy density (which is true for polytropes in the limit of large energy density), we determine the small radius behavior of the metric potentials and energy density. This small radius behavior agrees well with the small radius behavior of large central density numerical results, lending confidence to our numerical approach. We compare results with rotating solutions available in the literature, which show good agreement. We study the stability of spherical solutions: instability sets in at the first maximum in mass versus central energy density; this is also consistent with results in the literature, and further lends confidence to the numerical approach.

Molecular solar thermal energy storage in photoswitch oligomers increases energy densities and storage times.

PubMed

Mansø, Mads; Petersen, Anne Ugleholdt; Wang, Zhihang; Erhart, Paul; Nielsen, Mogens Brøndsted; Moth-Poulsen, Kasper

2018-05-16

Molecular photoswitches can be used for solar thermal energy storage by photoisomerization into high-energy, meta-stable isomers; we present a molecular design strategy leading to photoswitches with high energy densities and long storage times. High measured energy densities of up to 559 kJ kg -1 (155 Wh kg -1 ), long storage lifetimes up to 48.5 days, and high quantum yields of conversion of up to 94% per subunit are demonstrated in norbornadiene/quadricyclane (NBD/QC) photo-/thermoswitch couples incorporated into dimeric and trimeric structures. By changing the linker unit between the NBD units, we can at the same time fine-tune light-harvesting and energy densities of the dimers and trimers so that they exceed those of their monomeric analogs. These new oligomers thereby meet several of the criteria to be met for an optimum molecule to ultimately enter actual devices being able to undergo closed cycles of solar light-harvesting, energy storage, and heat release.

Excitation energies from particle-particle random phase approximation with accurate optimized effective potentials

NASA Astrophysics Data System (ADS)

Jin, Ye; Yang, Yang; Zhang, Du; Peng, Degao; Yang, Weitao

2017-10-01

The optimized effective potential (OEP) that gives accurate Kohn-Sham (KS) orbitals and orbital energies can be obtained from a given reference electron density. These OEP-KS orbitals and orbital energies are used here for calculating electronic excited states with the particle-particle random phase approximation (pp-RPA). Our calculations allow the examination of pp-RPA excitation energies with the exact KS density functional theory (DFT). Various input densities are investigated. Specifically, the excitation energies using the OEP with the electron densities from the coupled-cluster singles and doubles method display the lowest mean absolute error from the reference data for the low-lying excited states. This study probes into the theoretical limit of the pp-RPA excitation energies with the exact KS-DFT orbitals and orbital energies. We believe that higher-order correlation contributions beyond the pp-RPA bare Coulomb kernel are needed in order to achieve even higher accuracy in excitation energy calculations.

Trajectory-based nonadiabatic dynamics with time-dependent density functional theory.

PubMed

Curchod, Basile F E; Rothlisberger, Ursula; Tavernelli, Ivano

2013-05-10

Understanding the fate of an electronically excited molecule constitutes an important task for theoretical chemistry, and practical implications range from the interpretation of atto- and femtosecond spectroscopy to the development of light-driven molecular machines, the control of photochemical reactions, and the possibility of capturing sunlight energy. However, many challenging conceptual and technical problems are involved in the description of these phenomena such as 1) the failure of the well-known Born-Oppenheimer approximation; 2) the need for accurate electronic properties such as potential energy surfaces, excited nuclear forces, or nonadiabatic coupling terms; and 3) the necessity of describing the dynamics of the photoexcited nuclear wavepacket. This review provides an overview of the current methods to address points 1) and 3) and shows how time-dependent density functional theory (TDDFT) and its linear-response extension can be used for point 2). First, the derivation of Ehrenfest dynamics and nonadiabatic Bohmian dynamics is discussed and linked to Tully's trajectory surface hopping. Second, the coupling of these trajectory-based nonadiabatic schemes with TDDFT is described in detail with special emphasis on the derivation of the required electronic structure properties. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stability and ionic mobility in argyrodite-related lithium-ion solid electrolytes.

PubMed

Chen, Hao Min; Maohua, Chen; Adams, Stefan

2015-07-07

In the search for fast lithium-ion conducting solids for the development of safe rechargeable all-solid-state batteries with high energy density, thiophosphates and related compounds have been demonstrated to be particularly promising both because of their record ionic conductivities and their typically low charge transfer resistances. In this work we explore a wide range of known and predicted thiophosphates with a particular focus on the cubic argyrodite phase with a robust three-dimensional network of ion migration pathways. Structural and hydrolysis stability are calculated employing density functional method in combination with a generally applicable method of predicting the relevant critical reaction. The activation energy for ion migration in these argyrodites is then calculated using the empirical bond valence pathway method developed in our group, while bandgaps of selected argyrodites are calculated as a basis for assessing the electrochemical window. Findings for the lithium compounds are also compared to those of previously known copper argyrodites and hypothetical sodium argyrodites. Therefrom, guidelines for experimental work are derived to yield phases with the optimum balance between chemical stability and ionic conductivity in the search for practical lithium and sodium solid electrolyte materials.

A new method for incoherent combining of far-field laser beams based on multiple faculae recognition

NASA Astrophysics Data System (ADS)

Ye, Demao; Li, Sichao; Yan, Zhihui; Zhang, Zenan; Liu, Yuan

2018-03-01

Compared to coherent beam combining, incoherent beam combining can complete the output of high power laser beam with high efficiency, simple structure, low cost and high thermal damage resistance, and it is easy to realize in engineering. Higher target power is achieved by incoherent beam combination which using technology of multi-channel optical path correction. However, each channel forms a spot in the far field respectively, which cannot form higher laser power density with low overlap ratio of faculae. In order to improve the combat effectiveness of the system, it is necessary to overlap different faculae that improve the target energy density. Hence, a novel method for incoherent combining of far-field laser beams is present. The method compromises piezoelectric ceramic technology and evaluation algorithm of faculae coincidence degree which based on high precision multi-channel optical path correction. The results show that the faculae recognition algorithm is low-latency(less than 10ms), which can meet the needs of practical engineering. Furthermore, the real time focusing ability of far field faculae is improved which was beneficial to the engineering of high-energy laser weapon or other laser jamming systems.

Energy Density in Aligned Nanowire Arrays Irradiated with Relativistic Intensities: Path to Terabar Pressure Plasmas

NASA Astrophysics Data System (ADS)

Rocca, J.; Bargsten, C.; Hollinger, R.; Shylaptsev, V.; Wang, S.; Rockwood, A.; Wang, Y.; Keiss, D.; Capeluto, M.; Kaymak, V.; Pukhov, A.; Tommasini, R.; London, R.; Park, J.

2016-10-01

Ultra-high-energy-density (UHED) plasmas, characterized by energy densities >1 x 108 J cm-3 and pressures greater than a gigabar are encountered in the center of stars and in inertial confinement fusion capsules driven by the world's largest lasers. Similar conditions can be obtained with compact, ultra-high contrast, femtosecond lasers focused to relativistic intensities onto aligned nanowire array targets. Here we report the measurement of the key physical process in determining the energy density deposited in high aspect ratio nanowire array plasmas: the energy penetration. By monitoring the x-ray emission from buried Co tracer segments in Ni nanowire arrays irradiated at an intensity of 4 x 1019 W cm-2, we demonstrate energy penetration depths of several μm, leading to UHED plasmas of that size. Relativistic 3D particle-in-cell-simulations validated by these measurements predict that irradiation of nanostructures at increased intensity will lead to a virtually unexplored extreme UHED plasma regime characterized by energy densities in excess of 8 x 1010 J cm-3, equivalent to a pressure of 0.35 Tbar. This work was supported by the Fusion Energy Program, Office of Science of the U.S Department of Energy, and by the Defense Threat Reduction Agency.

A comparison of food pattern, macro- and some micronutrients density of the diet across different socio-economic zones of Tehran

PubMed Central

Abdollahi, Morteza; Salehi, Forouzan; Kalantari, Naser; Asadilari, Mohsen; Khoshfetrat, Mohammad Reza; Ajami, Marjan

2016-01-01

Background: The consumption of low quality foods is common in low socioeconomic areas; and according to epidemiological studies, the density of nutrients often proves the quality of diet. This study aimed to compare the density of macronutrients and micronutrients in various parts of Tehran. Methods: This was a cross-sectional study performed from September to December 2007 in all the 22 districts of the municipality of Tehran including 1,807 households. Experienced interviewers completed a 24-hour recall questionnaire. To estimate the nutrient densities, nutrient intake (grams or milligrams) was calculated per 1,000 kcal energy intake. To calculate the density of energy intake, energy intake (kcal) was divided by 100 g of foodstuff. The 22 districts of Tehran were divided into five zones of north, center, east, west and south. ANOVA and Tukey tests were used. Results: The highest density of protein and fat intake was observed in the north of Tehran, while carbohydrate density was highest in the west, east and south zones, and energy density was highest in the south zone (p<0.05). Calcium and vitamin C had the highest density in the north of Tehran, and vitamin A and riboflavin had the highest density in the north and center of Tehran, and the lowest level in the south of Tehran (p<0.05). Conclusion: Despite the high density of energy in the south of Tehran, a deficiency of micronutrient intake was obvious, reflecting the importance of the impact of socioeconomic factors. PMID:27390710

Temperature dependence of the symmetry energy and neutron skins in Ni, Sn, and Pb isotopic chains

NASA Astrophysics Data System (ADS)

Antonov, A. N.; Kadrev, D. N.; Gaidarov, M. K.; Sarriguren, P.; de Guerra, E. Moya

2017-02-01

The temperature dependence of the symmetry energy for isotopic chains of even-even Ni, Sn, and Pb nuclei is investigated in the framework of the local density approximation (LDA). The Skyrme energy density functional with two Skyrme-class effective interactions, SkM* and SLy4, is used in the calculations. The temperature-dependent proton and neutron densities are calculated through the hfbtho code that solves the nuclear Skyrme-Hartree-Fock-Bogoliubov problem by using the cylindrical transformed deformed harmonic-oscillator basis. In addition, two other density distributions of 208Pb, namely the Fermi-type density determined within the extended Thomas-Fermi (TF) method and symmetrized-Fermi local density obtained within the rigorous density functional approach, are used. The kinetic energy densities are calculated either by the hfbtho code or, for a comparison, by the extended TF method up to second order in temperature (with T2 term). Alternative ways to calculate the symmetry energy coefficient within the LDA are proposed. The results for the thermal evolution of the symmetry energy coefficient in the interval T =0 -4 MeV show that its values decrease with temperature. The temperature dependence of the neutron and proton root-mean-square radii and corresponding neutron skin thickness is also investigated, showing that the effect of temperature leads mainly to a substantial increase of the neutron radii and skins, especially in the more neutron-rich nuclei, a feature that may have consequences on astrophysical processes and neutron stars.

Electro-optic measurement of terahertz pulse energy distribution.

PubMed

Sun, J H; Gallacher, J G; Brussaard, G J H; Lemos, N; Issac, R; Huang, Z X; Dias, J M; Jaroszynski, D A

2009-11-01

An accurate and direct measurement of the energy distribution of a low repetition rate terahertz electromagnetic pulse is challenging because of the lack of sensitive detectors in this spectral range. In this paper, we show how the total energy and energy density distribution of a terahertz electromagnetic pulse can be determined by directly measuring the absolute electric field amplitude and beam energy density distribution using electro-optic detection. This method has potential use as a routine method of measuring the energy density of terahertz pulses that could be applied to evaluating future high power terahertz sources, terahertz imaging, and spatially and temporarily resolved pump-probe experiments.

Derivation of the density functional theory from the cluster expansion.

PubMed

Hsu, J Y

2003-09-26

The density functional theory is derived from a cluster expansion by truncating the higher-order correlations in one and only one term in the kinetic energy. The formulation allows self-consistent calculation of the exchange correlation effect without imposing additional assumptions to generalize the local density approximation. The pair correlation is described as a two-body collision of bound-state electrons, and modifies the electron- electron interaction energy as well as the kinetic energy. The theory admits excited states, and has no self-interaction energy.

Understanding limiting factors in thick electrode performance as applied to high energy density Li-ion batteries

DOE PAGES

Du, Zhijia; Wood, David L.; Daniel, Claus; ...

2017-02-09

We present that increasing electrode thickness, thus increasing the volume ratio of active materials, is one effective method to enable the development of high energy density Li-ion batteries. In this study, an energy density versus power density optimization of LiNi 0.8Co 0.15Al 0.05O 2 (NCA)/graphite cell stack was conducted via mathematical modeling. The energy density was found to have a maximum point versus electrode thickness (critical thickness) at given discharging C rates. The physics-based factors that limit the energy/power density of thick electrodes were found to be increased cell polarization and underutilization of active materials. The latter is affected bymore » Li-ion diffusion in active materials and Li-ion depletion in the electrolyte phase. Based on those findings, possible approaches were derived to surmount the limiting factors. Finally, the improvement of the energy–power relationship in an 18,650 cell was used to demonstrate how to optimize the thick electrode parameters in cell engineering.« less

Influence of the nuclear level density on the odd-even staggering in 56Fe+p spallation at energies from 300 to 1500 MeV/nucleon

NASA Astrophysics Data System (ADS)

Su, Jun; Zhu, Long; Guo, Chenchen

2018-05-01

Background: Special attention has been paid to study the shell effect and odd-even staggering (OES) in the nuclear spallation. Purpose: In this paper, we investigate the influence of the nuclear level density on the OES in the 56Fe+p spallations at energies from 300 to 1500 MeV/nucleon. Method: The isospin-dependent quantum molecular dynamics (IQMD) model is applied to produce the highly excited and equilibrium remnants, which is then de-excited using the statistical model gemini. The excitation energy of the heaviest hot fragments is applied to match the IQMD model with the gemini model. In the gemini model, the statistical description of the evaporation are based on the Hauser-Feshbach formalism, in which level density prescriptions are applied. Results: By investigating the OES of the excited pre-fragments, it is found that the OES originates at the end of the decay process when the excitation energy is close to the nucleon-emission threshold energy, i.e., the smaller value of the neutron separation energy and proton separation energy. The strong influence of level density on the OES is noticed. Two types of the nuclear level densities, the discrepancy of which is only about 7% near the nucleon emission threshold energy, are used in the model. However, the calculated values of the OES differ by the factor of 3 for the relevant nuclei. Conclusions: It is suggested that, although the particle-separation energies play a key role in determining the OES, the level density at excitation energy lower than the particle-separation energies should be taken into consideration

Density-Decomposed Orbital-Free Density Functional Theory for Covalent Systems and Application to Li-Si alloys

NASA Astrophysics Data System (ADS)

Xia, Junchao; Carter, Emily

2014-03-01

We propose a density decomposition scheme using a Wang-Govind-Carter (WGC)-based kinetic energy density functional (KEDF) to accurately and efficiently simulate covalent systems within orbital-free (OF) density functional theory (DFT). By using a local, density-dependent scale function, the total density is decomposed into a localized density within covalent bond regions and a flattened delocalized density, with the former described by semilocal KEDFs and the latter treated by the WGC KEDF. The new model predicts reasonable equilibrium volumes, bulk moduli, and phase ordering energies for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks. The surface energy of Si(100) also agrees well with KSDFT. We further apply the model to study mechanical properties of Li-Si alloys, which have been recently recognized as a promising candidate for next-generation anodes of Li-ion batteries with outstanding capacity. We study multiple crystalline Li-Si alloys. The WGCD KEDF predicts accurate cell lattice vectors, equilibrium volumes, elastic moduli, electron densities, alloy formation and Li adsorption energies. Because of its quasilinear scaling, coupled with the level of accuracy shown here, OFDFT appears quite promising for large-scale simulation of such materials phenomena. Office of Naval Research, National Science Foundation, Tigress High Performance Computing Center.

Asymmetric supercapacitor based on flexible TiC/CNF felt supported interwoven nickel-cobalt binary hydroxide nanosheets

NASA Astrophysics Data System (ADS)

Zhou, Gangyong; Xiong, Tianrou; He, Shuijian; Li, Yonghong; Zhu, Yongmei; Hou, Haoqing

2016-06-01

Nanostructured nickel-cobalt binary hydroxide (NiCosbnd BH) is widely investigated as supercapacitor electrode material. However, the aggregation and poor electrical conductivity of NiCosbnd BH limit its practical application as a supercapacitor. In this work, a flexible free-standing hierarchical porous composite composed of NiCosbnd BH nanosheets and titanium carbide-carbon nanofiber (NiCosbnd BH@TiC/CNF) is fabricated through electrospinning and microwave assisted method. The as-prepared composites exhibit desirable electrochemical performances, including high specific capacitance, cycling stability, and rate capability. In particular, the NiCosbnd BH41@TiC/CNF composite electrode exhibits a maximum specific capacitance of 2224 F g-1 at the current density of 0.5 A g-1 and excellent cyclic stability of 91% capacity retention after 3000 cycles at 5.0 A g-1. To expand its practical application, an asymmetric supercapacitor (ASC) is fabricated using the NiCosbnd BH41@TiC/CNF composite as the positive electrode and active carbon as the negative electrode. The ASC exhibits a prominent energy density of 55.93 Wh kg-1 and a high power density of 18,300 W kg-1 at 5.0 A g-1. The superior electrochemical property is attributed to the uniform dispersion of NiCosbnd BH nanosheets on the TiC/CNF felt matrix. The TiC/CNF felt with uniformed TiC nanoparticles makes the fiber surface more suitable for growing NiCosbnd BH nanosheets and simultaneously enhances the conductivity of electrode.

Longitudinal density modulation and energy conversion in intense beams.

PubMed

Harris, J R; Neumann, J G; Tian, K; O'Shea, P G

2007-08-01

Density modulation of charged particle beams may occur as a consequence of deliberate action, or may occur inadvertently because of imperfections in the particle source or acceleration method. In the case of intense beams, where space charge and external focusing govern the beam dynamics, density modulation may, under some circumstances, be converted to velocity modulation, with a corresponding conversion of potential energy to kinetic energy. Whether this will occur depends on the properties of the beam and the initial modulation. This paper describes the evolution of discrete and continuous density modulations on intense beams and discusses three recent experiments related to the dynamics of density-modulated electron beams.

High Energy Density Regenerative Fuel Cell Systems for Terrestrial Applications

NASA Technical Reports Server (NTRS)

Burke, Kenneth A.

1999-01-01

Regenerative Fuel Cell System (RFCS) technology for energy storage has been a NASA power system concept for many years. Compared to battery-based energy storage systems, RFCS has received relatively little attention or resources for development because the energy density and electrical efficiency were not sufficiently attractive relative to advanced battery systems. Even today, RFCS remains at a very low technology readiness level (TRL of about 2 indicating feasibility has been demonstrated). Commercial development of the Proton Exchange Membrane (PEM) fuel cells for automobiles and other terrestrial applications and improvements in lightweight pressure vessel design to reduce weight and improve performance make possible a high energy density RFCS energy storage system. The results from this study of a lightweight RFCS energy storage system for a remotely piloted, solar-powered, high altitude aircraft indicate an energy density up to 790 w-h/kg with electrical efficiency of 53.4% is attainable. Such an energy storage system would allow a solar-powered aircraft to carry hundreds of kilograms of payload and remain in flight indefinitely for use in atmospheric research, earth observation, resource mapping. and telecommunications. Future developments in the areas of hydrogen and oxygen storage, pressure vessel design, higher temperature and higher- pressure fuel cell operation, unitized regenerative fuel cells, and commercial development of fuel cell technology will improve both the energy density and electrical efficiency of the RFCS.

An empirical model for parameters affecting energy consumption in boron removal from boron-containing wastewaters by electrocoagulation.

PubMed

Yilmaz, A Erdem; Boncukcuoğlu, Recep; Kocakerim, M Muhtar

2007-06-01

In this study, it was investigated parameters affecting energy consumption in boron removal from boron containing wastewaters prepared synthetically, via electrocoagulation method. The solution pH, initial boron concentration, dose of supporting electrolyte, current density and temperature of solution were selected as experimental parameters affecting energy consumption. The obtained experimental results showed that boron removal efficiency reached up to 99% under optimum conditions, in which solution pH was 8.0, current density 6.0 mA/cm(2), initial boron concentration 100mg/L and solution temperature 293 K. The current density was an important parameter affecting energy consumption too. High current density applied to electrocoagulation cell increased energy consumption. Increasing solution temperature caused to decrease energy consumption that high temperature decreased potential applied under constant current density. That increasing initial boron concentration and dose of supporting electrolyte caused to increase specific conductivity of solution decreased energy consumption. As a result, it was seen that energy consumption for boron removal via electrocoagulation method could be minimized at optimum conditions. An empirical model was predicted by statistically. Experimentally obtained values were fitted with values predicted from empirical model being as following; [formula in text]. Unfortunately, the conditions obtained for optimum boron removal were not the conditions obtained for minimum energy consumption. It was determined that support electrolyte must be used for increase boron removal and decrease electrical energy consumption.

High energy density electrochemical cell

NASA Technical Reports Server (NTRS)

Byrne, J. J.; Williams, D. L.

1970-01-01

Primary cell has an anode of lithium, a cathode containing dihaloisocyanuric acid, and a nonaqueous electrolyte comprised of a solution of lithium perchlorate in methyl formate. It produces an energy density of 213 watt hrs/lb and can achieve a high current density.

Institute for High Energy Density Science

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

Wootton, Alan

The project objective was for the Institute of High Energy Density Science (IHEDS) at the University of Texas at Austin to help grow the High Energy Density (HED) science community, by connecting academia with the Z Facility (Z) and associated staff at Sandia National Laboratories (SNL). IHEDS was originally motivated by common interests and complementary capabilities at SNL and the University of Texas System (UTX), in 2008.

Superior performance asymmetric supercapacitors based on a directly grown commercial mass 3D Co3O4@Ni(OH)2 core-shell electrode.

PubMed

Tang, Chun-hua; Yin, Xuesong; Gong, Hao

2013-11-13

Pseudocapacitors based on fast surface Faradaic reactions can achieve high energy densities together with high power densities. Usually, researchers develop a thin layer of active materials to increase the energy density by enhancing the surface area; meanwhile, this sacrifices the mass loading. In this work, we developed a novel 3D core-shell Co3O4@Ni(OH)2 electrode that can provide high energy density with very high mass loading. Core-shell porous nanowires (Co3O4@Ni(OH)2) were directly grown on a Ni current collector as an integrated electrode/collector for the supercapacitor anode. This Co3O4@Ni(OH)2 core-shell nanoarchitectured electrode exhibits an ultrahigh areal capacitance of 15.83 F cm(-2). The asymmetric supercapacitor prototypes, assembled using Co3O4@Ni(OH)2 as the anode, reduced graphene oxide (RGO) or active carbon (AC) as the cathode, and 6 M aqueous KOH as the electrolyte, exhibit very high energy densities falling into the energy-density range of Li-ion batteries. Because of the large mass loading and high energy density, the prototypes can drive a minifan or light a bulb even though the size is very small. These results indicate that our asymmetric supercapacitors have outstanding potential in commercial applications. Systematic study and scientific understanding were carried out.

Quantifying the interplay between gravity and magnetic field in molecular clouds - a possible multiscale energy equipartition in NGC 6334

NASA Astrophysics Data System (ADS)

Li, Guang-Xing; Burkert, Andreas

2018-02-01

The interplay between gravity, turbulence and the magnetic field determines the evolution of the molecular interstellar medium (ISM) and the formation of the stars. In spite of growing interests, there remains a lack of understanding of the importance of magnetic field over multiple scales. We derive the magnetic energy spectrum - a measure that constraints the multiscale distribution of the magnetic energy, and compare it with the gravitational energy spectrum derived in Li & Burkert. In our formalism, the gravitational energy spectrum is purely determined by the surface density probability density distribution (PDF), and the magnetic energy spectrum is determined by both the surface density PDF and the magnetic field-density relation. If regions have density PDFs close to P(Σ) ˜ Σ-2 and a universal magnetic field-density relation B ˜ ρ1/2, we expect a multiscale near equipartition between gravity and the magnetic fields. This equipartition is found to be true in NGC 6334, where estimates of magnetic fields over multiple scales (from 0.1 pc to a few parsec) are available. However, the current observations are still limited in sample size. In the future, it is necessary to obtain multiscale measurements of magnetic fields from different clouds with different surface density PDFs and apply our formalism to further study the gravity-magnetic field interplay.

Gravitational potential as a source of earthquake energy

USGS Publications Warehouse

Barrows, L.; Langer, C.J.

1981-01-01

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

Enhanced energy harvesting in commercial ferroelectric materials

NASA Astrophysics Data System (ADS)

Patel, Satyanarayan; Chauhan, Aditya; Vaish, Rahul

2014-04-01

Ferroelectric materials are used in a number of applications ranging from simple sensors and actuators to ferroelectric random access memories (FRAMs), transducers, health monitoring system and microelectronics. The multiphysical coupling ability possessed by these materials has been established to be useful for energy harvesting applications. However, conventional energy harvesting techniques employing ferroelectric materials possess low energy density. This has prevented the successful commercialization of ferroelectric based energy harvesting systems. In this context, the present study aims at proposing a novel approach for enhanced energy harvesting using commercially available ferroelectric materials. This technique was simulated to be used for two commercially available piezoelectric materials namely PKI-552 and APCI-840, soft and hard lead-zirconate-titanate (PZT) pervoskite ceramics, respectively. It was observed that a maximum energy density of 348 kJm-3cycle-1 can be obtained for cycle parameters of (0-1 ton compressive stress and 1-25 kV.cm-1 electric field) using APCI-840. The reported energy density is several hundred times larger than the maximum energy density reported in the literature for vibration harvesting systems.

Excitation energies of molecules within time-independent density functional theory

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

Hemanadhan, M., E-mail: hemanadh@iitk.ac.in; Harbola, Manoj K., E-mail: hemanadh@iitk.ac.in

2014-04-24

Recently proposed exchange energy functional for excited-states is tested for obtaining excitation energies of diatomic molecules. The functional is the ground-state counterpart of the local-density approximation, the modified local spin density (MLSD). The MLSD functional is tested for the N{sub 2} and CO diatomic molecules. The excitation energy obtained with the MLSD functional for the N{sub 2} molecule is in close vicinity to that obtained from the exact exchange orbital functional, Krieger, Li and Iafrate (KLI). For the CO molecule, the departure in excitation energy is observed and is due to the overcorrection of self-interaction.

Excitation energies of molecules within time-independent density functional theory

NASA Astrophysics Data System (ADS)

Hemanadhan, M.; Harbola, Manoj K.

2014-04-01

Recently proposed exchange energy functional for excited-states is tested for obtaining excitation energies of diatomic molecules. The functional is the ground-state counterpart of the local-density approximation, the modified local spin density (MLSD). The MLSD functional is tested for the N2 and CO diatomic molecules. The excitation energy obtained with the MLSD functional for the N2 molecule is in close vicinity to that obtained from the exact exchange orbital functional, Krieger, Li and Iafrate (KLI). For the CO molecule, the departure in excitation energy is observed and is due to the overcorrection of self-interaction.

Wave energy analysis based on simulation wave data in the China Sea

NASA Astrophysics Data System (ADS)

Gao, Zhan-sheng; Qian, Yu-hao; Sui, Yu-wei; Chen, Xuan; Zhang, Da

2018-05-01

In the current world, where human beings are severely plagued by environmental problems and energy crisis, the full and reasonable utilization of marine new energy resources will contribute to alleviating the energy crisis, contributing to global energy-saving, emission reduction and environmental protection, thus to promote sustainable development. In this study, we firstly simulated a 10-year (1991-2000) 6-hourly wave data of the China Sea, by using the Simulating WAves Nearshore (SWAN) wave model nested with WAVEWATCH-III (WW3) wave model forced with Cross-Calibrated, Multi-Platform (CCMP) wind data. Considering the value size and stability of the wave energy density, we analyzed the overall characteristics of the China Sea wave energy with using the simulation wave data. Results show that: (1) The wave energy density in January and October is distinctly higher than that in April and July. The large center of annual average Wave energy density is located in the north of the South China Sea (of about 12-16 kW/m). (2) Synthetically considering the value size and stability of the wave energy density and stability, the energy-rich area is found to be located in the north region of the South China Sea.

High–energy density nonaqueous all redox flow lithium battery enabled with a polymeric membrane

PubMed Central

Jia, Chuankun; Pan, Feng; Zhu, Yun Guang; Huang, Qizhao; Lu, Li; Wang, Qing

2015-01-01

Redox flow batteries (RFBs) are considered one of the most promising large-scale energy storage technologies. However, conventional RFBs suffer from low energy density due to the low solubility of the active materials in electrolyte. On the basis of the redox targeting reactions of battery materials, the redox flow lithium battery (RFLB) demonstrated in this report presents a disruptive approach to drastically enhancing the energy density of flow batteries. With LiFePO4 and TiO2 as the cathodic and anodic Li storage materials, respectively, the tank energy density of RFLB could reach ~500 watt-hours per liter (50% porosity), which is 10 times higher than that of a vanadium redox flow battery. The cell exhibits good electrochemical performance under a prolonged cycling test. Our prototype RFLB full cell paves the way toward the development of a new generation of flow batteries for large-scale energy storage. PMID:26702440

High-energy density nonaqueous all redox flow lithium battery enabled with a polymeric membrane.

PubMed

Jia, Chuankun; Pan, Feng; Zhu, Yun Guang; Huang, Qizhao; Lu, Li; Wang, Qing

2015-11-01

Redox flow batteries (RFBs) are considered one of the most promising large-scale energy storage technologies. However, conventional RFBs suffer from low energy density due to the low solubility of the active materials in electrolyte. On the basis of the redox targeting reactions of battery materials, the redox flow lithium battery (RFLB) demonstrated in this report presents a disruptive approach to drastically enhancing the energy density of flow batteries. With LiFePO4 and TiO2 as the cathodic and anodic Li storage materials, respectively, the tank energy density of RFLB could reach ~500 watt-hours per liter (50% porosity), which is 10 times higher than that of a vanadium redox flow battery. The cell exhibits good electrochemical performance under a prolonged cycling test. Our prototype RFLB full cell paves the way toward the development of a new generation of flow batteries for large-scale energy storage.

A theoretical study of colloidal forces near an amphiphilic polymer brush

NASA Astrophysics Data System (ADS)

Wu, Jianzhong

2011-03-01

Polymer-based ``non-stick'' coatings are promising as the next generation of effective, environmentally-friendly marine antifouling systems that minimize nonspecific adsorption of extracellular polymeric substances (EPS). However, design and development of such systems are impeded by the poor knowledge of polymer-mediated interactions of biomacromolecules with the protected substrate. In this work, a polymer density functional theory (DFT) is used to predict the potential of mean force between spherical biomacromolecules and amphiphilic copolymer brushes within a coarse-grained model that captures essential nonspecific interactions such as the molecular excluded volume effects and the hydrophobic energies. The relevance of theoretical results for practical control of the EPS adsorption is discussed in terms of the efficiency of different brush configurations to prevent biofouling. It is shown that the most effective antifouling surface may be accomplished by using amphiphilic brushes with a long hydrophilic backbone and a hydrophobic end at moderate grafting density.

A New Hybrid Proton-Exchange-Membrane Fuel Cells-Battery Power System with Efficiencies Considered

NASA Astrophysics Data System (ADS)

Chao, Chung-Hsing; Shieh, Jenn-Jong

Hybrid systems, based on lead-acid or lithium-ion batteries and proton-exchange-membrane fuel cells (PEMFCs), give the possibility of combining the benefit of both technologies. The merits of high energy density and power density for different applications are discussed in this paper in recognition of the practical realization of such hybrid power systems. Furthermore, experimental data for such a hybrid system is described and the results are shown and discussed. The results show that the combination of lead-acid batteries or lithium-ion batteries and PEMFCs shows advantages in cases of applications with high peak power requirements, such as electric scooters and applications where the fuel cell (FC) is used as an auxiliary power-supply to recharge the battery. The high efficiency of FCs operating with a partial load results in a good fuel economy for the purpose of recharging batteries within a FC system.

A High Performance Lithium-Ion Capacitor with Both Electrodes Prepared from Sri Lanka Graphite Ore.

PubMed

Gao, Xiaoyu; Zhan, Changzhen; Yu, Xiaoliang; Liang, Qinghua; Lv, Ruitao; Gai, Guosheng; Shen, Wanci; Kang, Feiyu; Huang, Zheng-Hong

2017-04-14

The natural Sri Lanka graphite (vein graphite) is widely-used as anode material for lithium-ion batteries (LIBs), due to its high crystallinity and low cost. In this work, graphitic porous carbon (GPC) and high-purity vein graphite (PVG) were prepared from Sri Lanka graphite ore by KOH activation, and high temperature purification, respectively. Furthermore, a lithium-ion capacitor (LIC) is fabricated with GPC as cathode, and PVG as anode. The assembled GPC//PVG LIC shows a notable electrochemical performance with a maximum energy density of 86 W·h·kg -1 at 150 W·kg -1 , and 48 W·h·kg -1 at a high-power density of 7.4 kW·kg -1 . This high-performance LIC based on PVG and GPC is believed to be promising for practical applications, due to its low-cost raw materials and industrially feasible production.

Constrained variation in Jastrow method at high density

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

Owen, J.C.; Bishop, R.F.; Irvine, J.M.

1976-11-01

A method is derived for constraining the correlation function in a Jastrow variational calculation which permits the truncation of the cluster expansion after two-body terms, and which permits exact minimization of the two-body cluster by functional variation. This method is compared with one previously proposed by Pandharipande and is found to be superior both theoretically and practically. The method is tested both on liquid /sup 3/He, by using the Lennard--Jones potential, and on the model system of neutrons treated as Boltzmann particles (''homework'' problem). Good agreement is found both with experiment and with other calculations involving the explicit evaluation ofmore » higher-order terms in the cluster expansion. The method is then applied to a more realistic model of a neutron gas up to a density of 4 neutrons per F/sup 3/, and is found to give ground-state energies considerably lower than those of Pandharipande. (AIP)« less

A High Performance Lithium-Ion Capacitor with Both Electrodes Prepared from Sri Lanka Graphite Ore

PubMed Central

Gao, Xiaoyu; Zhan, Changzhen; Yu, Xiaoliang; Liang, Qinghua; Lv, Ruitao; Gai, Guosheng; Shen, Wanci; Kang, Feiyu; Huang, Zheng-Hong

2017-01-01

The natural Sri Lanka graphite (vein graphite) is widely-used as anode material for lithium-ion batteries (LIBs), due to its high crystallinity and low cost. In this work, graphitic porous carbon (GPC) and high-purity vein graphite (PVG) were prepared from Sri Lanka graphite ore by KOH activation, and high temperature purification, respectively. Furthermore, a lithium-ion capacitor (LIC) is fabricated with GPC as cathode, and PVG as anode. The assembled GPC//PVG LIC shows a notable electrochemical performance with a maximum energy density of 86 W·h·kg−1 at 150 W·kg−1, and 48 W·h·kg−1 at a high-power density of 7.4 kW·kg−1. This high-performance LIC based on PVG and GPC is believed to be promising for practical applications, due to its low-cost raw materials and industrially feasible production. PMID:28772773

Vortex-Density Fluctuations, Energy Spectra, and Vortical Regions in Superfluid Turbulence

NASA Astrophysics Data System (ADS)

Baggaley, Andrew W.; Laurie, Jason; Barenghi, Carlo F.

2012-11-01

Measurements of the energy spectrum and of the vortex-density fluctuation spectrum in superfluid turbulence seem to contradict each other. Using a numerical model, we show that at each instance of time the total vortex line density can be decomposed into two parts: one formed by metastable bundles of coherent vortices, and one in which the vortices are randomly oriented. We show that the former is responsible for the observed Kolmogorov energy spectrum, and the latter for the spectrum of the vortex line density fluctuations.

Dense GeV electron–positron pairs generated by lasers in near-critical-density plasmas

PubMed Central

Zhu, Xing-Long; Yu, Tong-Pu; Sheng, Zheng-Ming; Yin, Yan; Turcu, Ion Cristian Edmond; Pukhov, Alexander

2016-01-01

Pair production can be triggered by high-intensity lasers via the Breit–Wheeler process. However, the straightforward laser–laser colliding for copious numbers of pair creation requires light intensities several orders of magnitude higher than possible with the ongoing laser facilities. Despite the numerous proposed approaches, creating high-energy-density pair plasmas in laboratories is still challenging. Here we present an all-optical scheme for overdense pair production by two counter-propagating lasers irradiating near-critical-density plasmas at only ∼1022 W cm−2. In this scheme, bright γ-rays are generated by radiation-trapped electrons oscillating in the laser fields. The dense γ-photons then collide with the focused counter-propagating lasers to initiate the multi-photon Breit–Wheeler process. Particle-in-cell simulations indicate that one may generate a high-yield (1.05 × 1011) overdense (4 × 1022 cm−3) GeV positron beam using 10 PW scale lasers. Such a bright pair source has many practical applications and could be basis for future compact high-luminosity electron–positron colliders. PMID:27966530

Hybrid composite Ni(OH)2@NiCo2O4 grown on carbon fiber paper for high-performance supercapacitors.

PubMed

Huang, Liang; Chen, Dongchang; Ding, Yong; Wang, Zhong Lin; Zeng, Zhengzhi; Liu, Meilin

2013-11-13

We have successfully fabricated and tested the electrochemical performance of supercapacitor electrodes consisting of Ni(OH)2 nanosheets coated on NiCo2O4 nanosheets grown on carbon fiber paper (CFP) current collectors. When the NiCo2O4 nanosheets are replaced by Co3O4 nanosheets, however, the energy and power density as well as the rate capability of the electrodes are significantly reduced, most likely due to the lower conductivity of Co3O4 than that of NiCo2O4. The 3D hybrid composite Ni(OH)2/NiCo2O4/CFP electrodes demonstrate a high areal capacitance of 5.2 F/cm(2) at a cycling current density of 2 mA/cm(2), with a capacitance retention of 79% as the cycling current density was increased from 2 to 50 mA/cm(2). The remarkable performance of these hybrid composite electrodes implies that supercapacitors based on them have potential for many practical applications.

Lithium-coated polymeric matrix as a minimum volume-change and dendrite-free lithium metal anode

PubMed Central

Liu, Yayuan; Lin, Dingchang; Liang, Zheng; Zhao, Jie; Yan, Kai; Cui, Yi

2016-01-01

Lithium metal is the ideal anode for the next generation of high-energy-density batteries. Nevertheless, dendrite growth, side reactions and infinite relative volume change have prevented it from practical applications. Here, we demonstrate a promising metallic lithium anode design by infusing molten lithium into a polymeric matrix. The electrospun polyimide employed is stable against highly reactive molten lithium and, via a conformal layer of zinc oxide coating to render the surface lithiophilic, molten lithium can be drawn into the matrix, affording a nano-porous lithium electrode. Importantly, the polymeric backbone enables uniform lithium stripping/plating, which successfully confines lithium within the matrix, realizing minimum volume change and effective dendrite suppression. The porous electrode reduces the effective current density; thus, flat voltage profiles and stable cycling of more than 100 cycles is achieved even at a high current density of 5 mA cm−2 in both carbonate and ether electrolyte. The advantages of the porous, polymeric matrix provide important insights into the design principles of lithium metal anodes. PMID:26987481

Lithium-coated polymeric matrix as a minimum volume-change and dendrite-free lithium metal anode

DOE PAGES

Liu, Yayuan; Lin, Dingchang; Liang, Zheng; ...

2016-03-18

Lithium metal is the ideal anode for the next generation of high-energy-density batteries. Nevertheless, dendrite growth, side reactions and infinite relative volume change have prevented it from practical applications. Here, we demonstrate a promising metallic lithium anode design by infusing molten lithium into a polymeric matrix. The electrospun polyimide employed is stable against highly reactive molten lithium and, via a conformal layer of zinc oxide coating to render the surface lithiophilic, molten lithium can be drawn into the matrix, affording a nano-porous lithium electrode. Importantly, the polymeric backbone enables uniform lithium stripping/plating, which successfully confines lithium within the matrix, realizingmore » minimum volume change and effective dendrite suppression. The porous electrode reduces the effective current density; thus, flat voltage profiles and stable cycling of more than 100 cycles is achieved even at a high current density of 5 mA cm -2 in both carbonate and ether electrolyte. Furthermore, the advantages of the porous, polymeric matrix provide important insights into the design principles of lithium metal anodes.« less

Lithium-coated polymeric matrix as a minimum volume-change and dendrite-free lithium metal anode

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

Liu, Yayuan; Lin, Dingchang; Liang, Zheng

Lithium metal is the ideal anode for the next generation of high-energy-density batteries. Nevertheless, dendrite growth, side reactions and infinite relative volume change have prevented it from practical applications. Here, we demonstrate a promising metallic lithium anode design by infusing molten lithium into a polymeric matrix. The electrospun polyimide employed is stable against highly reactive molten lithium and, via a conformal layer of zinc oxide coating to render the surface lithiophilic, molten lithium can be drawn into the matrix, affording a nano-porous lithium electrode. Importantly, the polymeric backbone enables uniform lithium stripping/plating, which successfully confines lithium within the matrix, realizingmore » minimum volume change and effective dendrite suppression. The porous electrode reduces the effective current density; thus, flat voltage profiles and stable cycling of more than 100 cycles is achieved even at a high current density of 5 mA cm -2 in both carbonate and ether electrolyte. Furthermore, the advantages of the porous, polymeric matrix provide important insights into the design principles of lithium metal anodes.« less

Hybrid Composite Ni(OH)(2)@NiCo2O4 Grown on Carbon Fiber Paper for High-Performance Supercapacitors

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

Huang, L; Chen, DC; Ding, Y

2013-11-13

We have successfully fabricated and tested the electrochemical performance of supercapacitor electrodes consisting of Ni(OH)(2) nanosheets coated on NiCo2O4 nanosheets grown on carbon fiber paper (CFP) current collectors. When the NiCo2O4 nanosheets are replaced by Co3O4 nanosheets, however, the energy and power density as well as the rate capability of the electrodes are significantly reduced, most likely due to the lower conductivity of Co3O4 than that of NiCo2O4. The 3D hybrid composite Ni(OH)(2)/ NiCo2O4/CFP electrodes demonstrate a high areal capacitance of 5.2 F/cm(2) at a cycling current density of 2 rnA/cm(2), with a capacitance retention of 79% as the cyclingmore » current density was increased from 2 to 50 mA/cm(2). The remarkable performance of these hybrid composite electrodes implies that supercapacitors based on them have potential for many practical applications.« less

Total photoelectron yield spectroscopy of energy distribution of electronic states density at GaN surface and SiO2/GaN interface

NASA Astrophysics Data System (ADS)

Ohta, Akio; Truyen, Nguyen Xuan; Fujimura, Nobuyuki; Ikeda, Mitsuhisa; Makihara, Katsunori; Miyazaki, Seiichi

2018-06-01

The energy distribution of the electronic state density of wet-cleaned epitaxial GaN surfaces and SiO2/GaN structures has been studied by total photoelectron yield spectroscopy (PYS). By X-ray photoelectron spectroscopy (XPS) analysis, the energy band diagram for a wet-cleaned epitaxial GaN surface such as the energy level of the valence band top and electron affinity has been determined to obtain a better understanding of the measured PYS signals. The electronic state density of GaN surface with different carrier concentrations in the energy region corresponding to the GaN bandgap has been evaluated. Also, the interface defect state density of SiO2/GaN structures was also estimated by not only PYS analysis but also capacitance–voltage (C–V) characteristics. We have demonstrated that PYS analysis enables the evaluation of defect state density filled with electrons at the SiO2/GaN interface in the energy region corresponding to the GaN midgap, which is difficult to estimate by C–V measurement of MOS capacitors.

Dolphin biosonar target detection in noise: wrap up of a past experiment.

PubMed

Au, Whitlow W L

2014-07-01

The target detection capability of bottlenose dolphins in the presence of artificial masking noise was first studied by Au and Penner [J. Acoust. Soc. Am. 70, 687-693 (1981)] in which the dolphins' target detection threshold was determined as a function of the ratio of the echo energy flux density and the estimated received noise spectral density. Such a metric was commonly used in human psychoacoustics despite the fact that the echo energy flux density is not compatible with noise spectral density which is averaged intensity per Hz. Since the earlier detection in noise studies, two important parameters, the dolphin integration time applicable to broadband clicks and the dolphin's auditory filter shape, were determined. The inclusion of these two parameters allows for the estimation of the received energy flux density of the masking noise so that the dolphin target detection can now be determined as a function of the ratio of the received energy of the echo over the received noise energy. Using an integration time of 264 μs and an auditory bandwidth of 16.7 kHz, the ratio of the echo energy to noise energy at the target detection threshold is approximately 1 dB.

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

The topology of the Coulomb potential density. A comparison with the electron density, the virial energy density, and the Ehrenfest force density.

PubMed

Ferreira, Lizé-Mari; Eaby, Alan; Dillen, Jan

2017-12-15

The topology of the Coulomb potential density has been studied within the context of the theory of Atoms in Molecules and has been compared with the topologies of the electron density, the virial energy density and the Ehrenfest force density. The Coulomb potential density is found to be mainly structurally homeomorphic with the electron density. The Coulomb potential density reproduces the non-nuclear attractor which is observed experimentally in the molecular graph of the electron density of a Mg dimer, thus, for the first time ever providing an alternative and energetic foundation for the existence of this critical point. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Scaling up microbial fuel cells and other bioelectrochemical systems.

PubMed

Logan, Bruce E

2010-02-01

Scientific research has advanced on different microbial fuel cell (MFC) technologies in the laboratory at an amazing pace, with power densities having reached over 1 kW/m(3) (reactor volume) and to 6.9 W/m(2) (anode area) under optimal conditions. The main challenge is to bring these technologies out of the laboratory and engineer practical systems for bioenergy production at larger scales. Recent advances in new types of electrodes, a better understanding of the impact of membranes and separators on performance of these systems, and results from several new pilot-scale tests are all good indicators that commercialization of the technology could be possible within a few years. Some of the newest advances and future challenges are reviewed here with respect to practical applications of these MFCs for renewable energy production and other applications.

Recommended Practice for Use of Emissive Probes in Electric Propulsion Testing

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

Sheehan, J. P.; Raitses, Yevgeny; Hershkowitz, Noah

Here, this article provides recommended methods for building, operating, and taking plasma potential measurements from electron-emitting probes in electric propulsion devices, including Hall thrusters, gridded ion engines, and others. The two major techniques, the floating point technique and the inflection point technique, are described in detail as well as calibration and error-reduction methods. The major heating methods are described as well as the various considerations for emissive probe construction. Lastly, special considerations for electric propulsion plasmas are addressed, including high-energy densities, ion flows, magnetic fields, and potential fluctuations. Recommendations for probe design and operation are provided.

Recommended Practice for Use of Emissive Probes in Electric Propulsion Testing

DOE PAGES

Sheehan, J. P.; Raitses, Yevgeny; Hershkowitz, Noah; ...

2016-11-03

Here, this article provides recommended methods for building, operating, and taking plasma potential measurements from electron-emitting probes in electric propulsion devices, including Hall thrusters, gridded ion engines, and others. The two major techniques, the floating point technique and the inflection point technique, are described in detail as well as calibration and error-reduction methods. The major heating methods are described as well as the various considerations for emissive probe construction. Lastly, special considerations for electric propulsion plasmas are addressed, including high-energy densities, ion flows, magnetic fields, and potential fluctuations. Recommendations for probe design and operation are provided.

Thermal imaging diagnostics of high-current electron beams.

PubMed

Pushkarev, A; Kholodnaya, G; Sazonov, R; Ponomarev, D

2012-10-01

The thermal imaging diagnostics of measuring pulsed electron beam energy density is presented. It provides control of the electron energy spectrum and a measure of the density distribution of the electron beam cross section, the spatial distribution of electrons with energies in the selected range, and the total energy of the electron beam. The diagnostics is based on the thermal imager registration of the imaging electron beam thermal print in a material with low bulk density and low thermal conductivity. Testing of the thermal imaging diagnostics has been conducted on a pulsed electron accelerator TEU-500. The energy of the electrons was 300-500 keV, the density of the electron current was 0.1-0.4 kA/cm(2), the duration of the pulse (at half-height) was 60 ns, and the energy in the pulse was up to 100 J. To register the thermal print, a thermal imager Fluke-Ti10 was used. Testing showed that the sensitivity of a typical thermal imager provides the registration of a pulsed electron beam heat pattern within one pulse with energy density over 0.1 J/cm(2) (or with current density over 10 A/cm(2), pulse duration of 60 ns and electron energy of 400 keV) with the spatial resolution of 0.9-1 mm. In contrast to the method of using radiosensitive (dosimetric) materials, thermal imaging diagnostics does not require either expensive consumables, or plenty of processing time.

Declines in deepwater sculpin Myoxocephalus thompsonii energy density associated with the disappearance of Diporeia spp. in lakes Huron and Michigan

USGS Publications Warehouse

Pothoven, S.A.; Hondorp, D.W.; Nalepa, T.F.

2011-01-01

The deepwater sculpin Myoxocephalus thompsonii is a glacial relict in the Laurentian Great Lakes that primarily consumes two glacial relict crustaceans, Mysis relicta and Diporeia spp. Deepwater sculpin were collected in Lake Michigan off Little Sable Point (in 2001) and Muskegon, Michigan (in 2001 and 2009), and in Lake Huron off Harbor Beach, Michigan (in 2007) for energy density and diet analyses. These sites and years represented differences in available prey. In Lake Michigan, energy densities of deepwater sculpin in 2001 were similar to those reported in 1969-1971. In contrast, energy content declined at least 26% at Muskegon between 2001 and 2009. Overall, energy density was 31-34% higher at a site with abundant Diporeia spp. compared with two sites without Diporeia spp. Deepwater sculpin diets consisted primarily of M. relicta at all sites, but included 10-17% (dry mass) Diporeia spp. at sites where this crustacean was still abundant. Food biomass in stomachs was higher at sites with abundant Diporeia spp. than at those without Diporeia spp. Deepwater sculpin energy density and food biomass in stomachs were similar between two sites without Diporeia spp. despite differences in abundance of remaining prey, M. relicta. Declines in deepwater sculpin energy density suggest the potential for further effects on other species and changes in the flow of energy through the food web of the Great Lakes. Published 2010. This article is a US Government work and is in the public domain in the USA.