Sample records for small lithium clusters
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Lithium cluster anions: photoelectron spectroscopy and ab initio calculations.
Alexandrova, Anastassia N; Boldyrev, Alexander I; Li, Xiang; Sarkas, Harry W; Hendricks, Jay H; Arnold, Susan T; Bowen, Kit H
2011-01-28
Structural and energetic properties of small, deceptively simple anionic clusters of lithium, Li(n)(-), n = 3-7, were determined using a combination of anion photoelectron spectroscopy and ab initio calculations. The most stable isomers of each of these anions, the ones most likely to contribute to the photoelectron spectra, were found using the gradient embedded genetic algorithm program. Subsequently, state-of-the-art ab initio techniques, including time-dependent density functional theory, coupled cluster, and multireference configurational interactions methods, were employed to interpret the experimental spectra.
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Abramovic, Lucija; Boks, Marco P M; Vreeker, Annabel; Bouter, Diandra C; Kruiper, Caitlyn; Verkooijen, Sanne; van Bergen, Annet H; Ophoff, Roel A; Kahn, René S; van Haren, Neeltje E M
2016-11-01
There is evidence that brain structure is abnormal in patients with bipolar disorder. Lithium intake appears to ׳normalise׳ global and local brain volumes, but effects of antipsychotic medication on brain volume or cortical thickness are less clear. Here, we aim to disentangle disease-specific brain deviations from those induced by antipsychotic medication and lithium intake using a large homogeneous sample of patients with bipolar disorder type I. Magnetic resonance imaging brain scans were obtained from 266 patients and 171 control subjects. Subcortical volumes and global and focal cortical measures (volume, thickness, and surface area) were compared between patients and controls. In patients, the association between lithium and antipsychotic medication intake and global, subcortical and cortical measures was investigated. Patients showed significantly larger lateral and third ventricles, smaller total brain, caudate nucleus, and pallidum volumes and thinner cortex in some small clusters in frontal, parietal and cingulate regions as compared with controls. Lithium-free patients had significantly smaller total brain, thalamus, putamen, pallidum, hippocampus and accumbens volumes compared to patients on lithium. In patients, use of antipsychotic medication was related to larger third ventricle and smaller hippocampus and supramarginal cortex volume. Patients with bipolar disorder show abnormalities in total brain, subcortical, and ventricle volume, particularly in the nucleus caudate and pallidum. Abnormalities in cortical thickness were scattered and clusters were relatively small. Lithium-free patients showed more pronounced abnormalities as compared with those on lithium. The associations between antipsychotic medication and brain volume are subtle and less pronounced than those of lithium. Copyright © 2016 Elsevier B.V. and ECNP. All rights reserved.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Shukla, Anil; Bogdanov, Bogdan
2015-02-14
Small cationic and anionic clusters of lithium formate were generated by electrospray ionization and their fragmentations were studied by tandem mass spectrometry. Singly as well as multiply charged clusters were formed with the general formulae, (HCOOLi)nLi+, (HCOOLi)nLimm+, (HCOOLi)nHCOO- and (HCOOLi)n(HCOO)mm-. Several magic number cluster ions were observed in both the positive and negative ion modes although more predominant in the positive ion mode with (HCOOLi)3Li+ being the most abundant and stable cluster ions. Fragmentations of singly charged clusters proceed first by the loss of a dimer unit ((HCOOLi)2) followed by sequential loss of monomer units (HCOOLi). In the case ofmore » positive cluster ions, all fragmentations lead to the magic cluster (HCOOLi)3Li+ at higher collision energies which later fragments to dimer and monomer ions in lower abundance. Quantum mechanical calculations performed for smaller cluster ions showed that the trimer ion has a closed ring structure similar to the phenalenylium structure with three closed rings connected to the lithium ion. Further additions of monomer units result in similar symmetric structures for hexamer and nonamer cluster ions. Thermochemical calculations show that trimer cluster ion is relatively more stable than neighboring cluster ions, supporting the experimental observation of a magic number cluster with enhanced stability.« less
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Lithium-air batteries, method for making lithium-air batteries
Vajda, Stefan; Curtiss, Larry A.; Lu, Jun; Amine, Khalil; Tyo, Eric C.
2016-11-15
The invention provides a method for generating Li.sub.2O.sub.2 or composites of it, the method uses mixing lithium ions with oxygen ions in the presence of a catalyst. The catalyst comprises a plurality of metal clusters, their alloys and mixtures, each cluster consisting of between 3 and 18 metal atoms. The invention also describes a lithium-air battery which uses a lithium metal anode, and a cathode opposing the anode. The cathode supports metal clusters, each cluster consisting of size selected clusters, taken from a range of between approximately 3 and approximately 18 metal atoms, and an electrolyte positioned between the anode and the cathode.
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Particle control and plasma performance in the Lithium Tokamak eXperimenta)
NASA Astrophysics Data System (ADS)
Majeski, R.; Abrams, T.; Boyle, D.; Granstedt, E.; Hare, J.; Jacobson, C. M.; Kaita, R.; Kozub, T.; LeBlanc, B.; Lundberg, D. P.; Lucia, M.; Merino, E.; Schmitt, J.; Stotler, D.; Biewer, T. M.; Canik, J. M.; Gray, T. K.; Maingi, R.; McLean, A. G.; Kubota, S.; Peebles, W. A.; Beiersdorfer, P.; Clementson, J. H. T.; Tritz, K.
2013-05-01
The Lithium Tokamak eXperiment is a small, low aspect ratio tokamak [Majeski et al., Nucl. Fusion 49, 055014 (2009)], which is fitted with a stainless steel-clad copper liner, conformal to the last closed flux surface. The liner can be heated to 350 °C. Several gas fueling systems, including supersonic gas injection and molecular cluster injection, have been studied and produce fueling efficiencies up to 35%. Discharges are strongly affected by wall conditioning. Discharges without lithium wall coatings are limited to plasma currents of order 10 kA, and discharge durations of order 5 ms. With solid lithium coatings discharge currents exceed 70 kA, and discharge durations exceed 30 ms. Heating the lithium wall coating, however, results in a prompt degradation of the discharge, at the melting point of lithium. These results suggest that the simplest approach to implementing liquid lithium walls in a tokamak—thin, evaporated, liquefied coatings of lithium—does not produce an adequately clean surface.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Shukla, Anil, E-mail: Anil.Shukla@pnnl.gov; Bogdanov, Bogdan
2015-02-14
Small cationic and anionic clusters of lithium formate were generated by electrospray ionization and their fragmentations were studied by tandem mass spectrometry (collision-induced dissociation with N{sub 2}). Singly as well as multiply charged clusters were formed in both positive and negative ion modes with the general formulae, (HCOOLi){sub n}Li{sup +}, (HCOOLi){sub n}Li{sub m}{sup m+}, (HCOOLi){sub n}HCOO{sup −}, and (HCOOLi){sub n}(HCOO){sub m}{sup m−}. Several magic number cluster (MNC) ions were observed in both the positive and negative ion modes although more predominant in the positive ion mode with (HCOOLi){sub 3}Li{sup +} being the most abundant and stable cluster ion. Fragmentations ofmore » singly charged positive clusters proceed first by the loss of a dimer unit ((HCOOLi){sub 2}) followed by the loss of monomer units (HCOOLi) although the former remains the dominant dissociation process. In the case of positive cluster ions, all fragmentations lead to the magic cluster (HCOOLi){sub 3}Li{sup +} as the most abundant fragment ion at higher collision energies which then fragments further to dimer and monomer ions at lower abundances. In the negative ion mode, however, singly charged clusters dissociated via sequential loss of monomer units. Multiply charged clusters in both positive and negative ion modes dissociated mainly via Coulomb repulsion. Quantum chemical calculations performed for smaller cluster ions showed that the trimer ion has a closed ring structure similar to the phenalenylium structure with three closed rings connected to the central lithium ion. Further additions of monomer units result in similar symmetric structures for hexamer and nonamer cluster ions. Thermochemical calculations show that trimer cluster ion is relatively more stable than neighboring cluster ions, supporting the experimental observation of a magic number cluster with enhanced stability.« less
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Presence of Li Clusters in Molten LiCl-Li
Merwin, Augustus; Phillips, William C.; Williamson, Mark A.; Willit, James L.; Motsegood, Perry N.; Chidambaram, Dev
2016-01-01
Molten mixtures of lithium chloride and metallic lithium are of significant interest in various metal oxide reduction processes. These solutions have been reported to exhibit seemingly anomalous physical characteristics that lack a comprehensive explanation. In the current work, the physical chemistry of molten solutions of lithium chloride and metallic lithium, with and without lithium oxide, was investigated using in situ Raman spectroscopy. The Raman spectra obtained from these solutions were in agreement with the previously reported spectrum of the lithium cluster, Li8. This observation is indicative of a nanofluid type colloidal suspension of Li8 in a molten salt matrix. It is suggested that the formation and suspension of lithium clusters in lithium chloride is the cause of various phenomena exhibited by these solutions that were previously unexplainable. PMID:27145895
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Presence of Li clusters in molten LiCl-Li
Merwin, Augustus; Phillips, William C.; Williamson, Mark A.; ...
2016-05-05
Molten mixtures of lithium chloride and metallic lithium are of significant interest in various metal oxide reduction processes. These solutions have been reported to exhibit seemingly anomalous physical characteristics that lack a comprehensive explanation. ln the current work, the physical chemistry of molten solutions of lithium chloride and metallic lithium, with and without lithium oxide, was investigated using in situ Raman spectroscopy. The Raman spectra obtained from these solutions were in agreement with the previously reported spectrum of the lithium cluster, Li 8. Furthermore, this observation is indicative of a nanofluid type colloidal suspension of Li 8, in a moltenmore » salt matrix. It is suggested that the formation and suspension of lithium clusters in lithium chloride is the cause of various phenomena exhibited by these solutions that were previously unexplainable.« less
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NASA Technical Reports Server (NTRS)
Haskins, Justin B.; Bauschlicher, Charles W.; Lawson, John W.
2015-01-01
Zero-temperature density functional theory (DFT), density functional theory molecular dynamics (DFT-MD), and classical molecular dynamics using polarizable force fields (PFF-MD) are employed to evaluate the influence of Lithium ion on the structure, transport, and electrochemical stability of three potential ionic liquid electrolytes: N--methyl-N-butylpyrrolidinium bis(trifluoromethanesulfonyl)imide ([pyr14][TFSI]), N--methyl-N-propylpyrrolidinium bis(fluorosulfonyl)imide ([pyr13][FSI]), and 1-ethyl-3--methylimidazolium boron tetrafluoride ([EMIM][BF4]). We characterize the Lithium ion solvation shell through zero-temperature DFT simulations of [Li(Anion)sub n](exp n-1) -clusters, DFT-MD simulations of isolated lithium ions in small ionic liquid systems, and PFF-MD simulations with high Li-doping levels in large ionic liquid systems. At low levels of Li-salt doping, highly stable solvation shells having 2-3 anions are seen in both [pyr14][TFSI] and [pyr13][FSI], while solvation shells with 4 anions dominate in [EMIM][BF sub 4]. At higher levels of doping, we find the formation of complex Li-network structures that increase the frequency of 4 anion-coordinated solvation shells. A comparison of computational and experimental Raman spectra for a wide range of [Li(Anion) sub n](exp n -1) - clusters shows that our proposed structures are consistent with experiment. We estimate the ion diffusion coefficients and quantify both size and simulation time effects. We find estimates of lithium ion diffusion are a reasonable order of magnitude and can be corrected for simulation time effects. Simulation size, on the other hand, is also important, with diffusion coefficients from long PFF-MD simulations of small cells having 20-40% error compared to large-cell values. Finally, we compute the electrochemical window using differences in electronic energy levels of both isolated cation/anion pairs and small ionic liquid systems with Li-salt doping. The single pair and liquid-phase systems provide similar estimates of electrochemical window, while Li-doping in the liquid-phase systems results in electrochemical windows little changed from the neat systems. Pure and hybrid functionals systematically provide an upper and lower bound, respectively, to the experimental electrochemical window for the systems studied here.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Shukla, Anil
2016-06-08
Unimolecular and collision-induced dissociation of doubly charged lithium acetate clusters, (CH3COOLi)nLi22+, demonstrated that Coulomb fission via charge separation is the dominant dissociation process with no contribution from the neutral evaporation processes for all such ions from the critical limit to larger cluster ions, although latter process have normally been observed in all earlier studies. These results are clearly in disagreement with the Rayleigh’s liquid drop model that has been used successfully to predict the critical size and explain the fragmentation behavior of multiply charged clusters.
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Investigation of the cluster formation in lithium niobate crystals by computer modeling method
DOE Office of Scientific and Technical Information (OSTI.GOV)
Voskresenskii, V. M.; Starodub, O. R., E-mail: ol-star@mail.ru; Sidorov, N. V.
The processes occurring upon the formation of energetically equilibrium oxygen-octahedral clusters in the ferroelectric phase of a stoichiometric lithium niobate (LiNbO{sub 3}) crystal have been investigated by the computer modeling method within the semiclassical atomistic model. An energetically favorable cluster size (at which a structure similar to that of a congruent crystal is organized) is shown to exist. A stoichiometric cluster cannot exist because of the electroneutrality loss. The most energetically favorable cluster is that with a Li/Nb ratio of about 0.945, a value close to the lithium-to-niobium ratio for a congruent crystal.
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NASA Astrophysics Data System (ADS)
Liu, Chi-Ping; Zhou, Fei; Ozolins, Vidvuds
2014-03-01
Molybdenum disulfide (MoS2) is a good candidate electrode material for high capacity energy storage applications, such as lithium ion batteries and supercapacitors. In this work, we investigate lithium intercalation and diffusion kinetics in MoS2 by using first-principles density-functional theory (DFT) calculations. Two different lithium intercalation sites (1-H and 2-T) in MoS2 are found to be stable for lithium intercalation at different van der Waals' (vdW) gap distances. It is found that both thermodynamic and kinetic properties are highly related to the interlayer vdW gap distance, and that the optimal gap distance leads to effective solid-state diffusion in MoS2. Additionally, through the use of compressive sensing, we build accurate cluster expansion models to study the thermodynamic properties of MoS2 at high lithium content by truncating the higher order effective clusters with significant contributions. The results show that compressive sensing cluster expansion is a rigorous and powerful tool for model construction for advanced electrochemical applications in the future.
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The lithium-rotation connection in the 125 Myr-old Pleiades cluster
NASA Astrophysics Data System (ADS)
Bouvier, J.; Barrado, D.; Moraux, E.; Stauffer, J.; Rebull, L.; Hillenbrand, L.; Bayo, A.; Boisse, I.; Bouy, H.; DiFolco, E.; Lillo-Box, J.; Calderón, M. Morales
2018-06-01
Context. The evolution of lithium abundance over a star's lifetime is indicative of transport processes operating in the stellar interior. Aims: We revisit the relationship between lithium content and rotation rate previously reported for cool dwarfs in the Pleiades cluster. Methods: We derive new LiI 670.8 nm equivalent width measurements from high-resolution spectra obtained for low-mass Pleiades members. We combine these new measurements with previously published ones, and use the Kepler K2 rotational periods recently derived for Pleiades cool dwarfs to investigate the lithium-rotation connection in this 125 Myr-old cluster. Results: The new data confirm the correlation between lithium equivalent width and stellar spin rate for a sample of 51 early K-type members of the cluster, where fast rotating stars are systematically lithium-rich compared to slowly rotating ones. The correlation is valid for all stars over the (J-Ks) color range 0.50-0.70 mag, corresponding to a mass range from about 0.75 to 0.90 M⊙, and may extend down to lower masses. Conclusions: We argue that the dispersion in lithium equivalent widths observed for cool dwarfs in the Pleiades cluster reflects an intrinsic scatter in lithium abundances, and suggest that the physical origin of the lithium dispersion pattern is to be found in the pre-main sequence rotational history of solar-type stars. Based on observations made at Observatoire de Haute Provence (CNRS), France, at the Nordic Optical Telescope (IAC), Spain, and at the W. M. Keck Observatory, Hawaii, USA.Full Table B.1 is only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/613/A63
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2015-03-16
AFRL-OSR-VA-TR-2015-0088 Theoretical Study of Novel Nanostructured Materials for Lithium - Ion Batteries Mario Sanchez-Vazquez CENTRO DE INVESTIGACION...SiGeLi Clusters for Design of Novel Nanostructured Materials to Be Utilized as Anodes for Lithium - ion Batteries 5a. CONTRACT NUMBER 5b. GRANT NUMBER...utilized as anodes for Lithium - ion batteries Final Report Nancy Perez-Peralta and Mario Sanchez-Vazquez Abstract In order to find out if
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Lithium in giant stars in NGC 752 and M67
NASA Astrophysics Data System (ADS)
Pilachowski, Catherine; Saha, A.; Hobbs, L. M.
1988-04-01
Spectra of giant stars in the intermediate-age galactic cluster NGC 752 and in the old cluster M67 have been examined for the presence of Li I λ6707. The lithium feature is not present in any of the M67 giants observed, leading to upper-limit abundances of log ɛ(Li) ≤ -1.0 to 0.3. While lithium is not present in most NGC 752 giants, the feature is strong in two giants, Heinemann 77 and 208, log ɛ(Li) = +1.1 and +1.4, respectively. In the remaining giants in NGC 752, log ɛ(Li) < 0.5. The absence of lithium in M67 giants may be because these giants evolve from progenitors in the region of the main-sequence lithium dip.
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Exploring N-Rich Phases in Li(x)N(y) Clusters for Hydrogen Storage at Nanoscale.
Bhattacharya, Amrita; Bhattacharya, Saswata
2015-09-17
We have performed cascade genetic algorithm and ab initio atomistic thermodynamics under the framework of first-principles-based hybrid density functional theory to study the (meta-)stability of a wide range of Li(x)N(y) clusters. We found that hybrid xc-functional is essential to address this problem as a local/semilocal functional simply fails even to predict a qualitative prediction. Most importantly, we find that though in bulk lithium nitride, the Li-rich phase, that is, Li3N, is the stable stoichiometry; in small Li(x)N(y) clusters, N-rich phases are more stable at thermodynamic equilibrium. We further show that these N-rich clusters are promising hydrogen storage material because of their easy adsorption and desorption ability at respectively low (≤300 K) and moderately high temperature (≥600 K).
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Lithium in Stellar Atmospheres: Observations and Theory
NASA Astrophysics Data System (ADS)
Lyubimkov, L. S.
2016-09-01
Of all the light elements, lithium is the most sensitive indicator of stellar evolution. This review discusses current data on the abundance of lithium in the atmospheres of A-, F-, G-, and K-stars of different types, as well as the consistency of these data with theoretical predictions. The variety of observed Li abundances is illustrated by the following objects in different stages of evolution: (1) Old stars in the galactic halo, which have a lithium abundance logɛ(Li)=2.2 (the "lithium plateau") that appears to be 0.5 dex lower than the primordial abundance predicted by cosmological models. (2) Young stars in the galactic disk, which have been used to estimate the contemporary initial lithium abundance logɛ(Li)=3.2±0.1 for stars in the Main sequence. Possible sources of lithium enrichment in the interstellar medium during evolution of the galaxy are discussed. (3) Evolving FGK dwarfs in the galactic disk, which have lower logɛ(Li) for lower effective temperature T eff and mass M. The "lithium dip" near T eff ~6600 K in the distribution of logɛ(Li) with respect to T eff in old clusters is discussed. (4) FGK giants and supergiants, of which most have no lithium at all. This phenomenon is consistent with rotating star model calculations. (5) Lithium rich cold giants with logɛ(Li) ≥ 2.0, which form a small, enigmatic group. Theoretical models with rotation can explain the existence of these stars only in the case of low initial rotation velocities V 0 <50 km/s. In all other cases it is necessary to assume recent synthesis of lithium (capture of a giant planet is an alternative). (6) Magnetic Ap-stars, where lithium is concentrated in spots located at the magnetic poles. There the lithium abundance reaches logɛ(Li)=6. Discrepancies between observations and theory are noted for almost all the stars discussed in this review.
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Federal Register 2010, 2011, 2012, 2013, 2014
2012-09-12
... 225, Rechargeable Lithium Battery and Battery Systems--Small and Medium Size AGENCY: Federal Aviation... 225, Rechargeable Lithium Battery and Battery Systems--Small and Medium Size. SUMMARY: The FAA is..., Rechargeable Lithium Battery and Battery Systems--Small and Medium Size. DATES: The meeting will be held...
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2012-11-01
... 225, Rechargeable Lithium Battery and Battery Systems--Small and Medium Size AGENCY: Federal Aviation... 225, Rechargeable Lithium Battery and Battery Systems--Small and Medium Size. SUMMARY: The FAA is..., Rechargeable Lithium Battery and Battery Systems--Small and Medium Size. DATES: The meeting will be held...
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2012-07-02
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2013-01-31
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2013-03-13
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2012-02-14
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2013-09-11
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2013-06-25
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On the lithium dip in the metal poor open cluster NGC 2243
NASA Astrophysics Data System (ADS)
François, P.; Pasquini, L.; Biazzo, K.; Bonifacio, P.; Palsa, R.
2014-05-01
Lithium is a key element for studying the mixing mechanisms operating in stellar interiors. It can also be used to probe the chemical evolution of the Galaxy and the Big Bang nucleosynthesis. Measuring the abundance of Lithium in stars belonging to Open Clusters (hereafter OC) allows a detailed comparison with stellar evolutionary models. NGC 2243 is particularly interesting thanks to its relative low metallicity ([Fe/H]=-0.54 ± 0.10 dex). We performed a detailed analysis of high-resolution spectra obtained with the multi-object facility FLAMES at the VLT 8.2m telescope. Lithium abundance has been measured in 27 stars. We found a Li dip center of 1.06 M⊙, which is significantly smaller than that observed in solar metallicity and metal-rich clusters. This finding confirms and strengthens the conclusion that the mass of the stars in the Li dip strongly depends on stellar metallicity. The mean Li abundance of the cluster is log n(Li) = 2.70 dex, which is substantially higher than that observed in 47 Tue. We derived an iron abundance of [Fe/H]=-0.54±0.10 dex for NGC 2243, in agreement (within the errors) with previous findings.
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Silicon decorated cone shaped carbon nanotube clusters for lithium ion battery anodes.
Wang, Wei; Ruiz, Isaac; Ahmed, Kazi; Bay, Hamed Hosseini; George, Aaron S; Wang, Johnny; Butler, John; Ozkan, Mihrimah; Ozkan, Cengiz S
2014-08-27
In this work, we report the synthesis of an three-dimensional (3D) cone-shape CNT clusters (CCC) via chemical vapor deposition (CVD) with subsequent inductively coupled plasma (ICP) treatment. An innovative silicon decorated cone-shape CNT clusters (SCCC) is prepared by simply depositing amorphous silicon onto CCC via magnetron sputtering. The seamless connection between silicon decorated CNT cones and graphene facilitates the charge transfer in the system and suggests a binder-free technique of preparing lithium ion battery (LIB) anodes. Lithium ion batteries based on this novel 3D SCCC architecture demonstrates high reversible capacity of 1954 mAh g(-1) and excellent cycling stability (>1200 mAh g(-1) capacity with ≈ 100% coulombic efficiency after 230 cycles). © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Veličković, S R; Đustebek, J B; Veljković, F M; Veljković, M V
2012-05-01
Clusters of the type Li(n)X (X = halides) can be considered as potential building blocks of cluster-assembly materials. In this work, Li(n)Br (n = 2-7) clusters were obtained by a thermal ionization source of modified design and selected by a magnetic sector mass spectrometer. Positive ions of the Li(n)Br (n = 4-7) cluster were detected for the first time. The order of ion intensities was Li(2)Br(+) > Li(4)Br(+) > Li(5)Br(+) > Li(6)Br(+) > Li(3)Br(+). The ionization energies (IEs) were measured and found to be 3.95 ± 0.20 eV for Li(2)Br, 3.92 ± 0.20 eV for Li(3)Br, 3.93 ± 0.20 eV for Li(4)Br, 4.08 ± 0.20 eV for Li(5)Br, 4.14 ± 0.20 eV for Li(6)Br and 4.19 ± 0.20 eV for Li(7)Br. All of these clusters have a much lower ionization potential than that of the lithium atom, so they belong to the superalkali class. The IEs of Li(n)Br (n = 2-4) are slightly lower than those in the corresponding small Li(n) or Li(n)H clusters, whereas the IEs of Li(n)Br are very similar to those of Li(n) or Li(n)H for n = 5 and 6. The thermal ionization source of modified design is an important means for simultaneously obtaining and measuring the IEs of Li(n)Br (n = 2-7) clusters (because their ions are hermodynamically stable with respect to the loss of lithium atoms in the gas phase) and increasingly contributes toward the development of clusters for practical applications. Copyright © 2012 John Wiley & Sons, Ltd.
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2012-04-05
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2011-11-14
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Engineering Redox Potential of Lithium Clusters for Electrode Material in Lithium-Ion Batteries
Kushwaha, Anoop Kumar; Sahoo, Mihir Ranjan; Nanda, Jagjit; ...
2017-07-01
Low negative electrode potential and high reactivity makes lithium (Li) ideal candidate for obtaining highest possible energy density among other materials. Here, we show a novel route with which the overall electrode potential could significantly be enhanced through selection of cluster size. In using first principles density functional theory and continuum dielectric model, we studied free energy and redox potential as well as investigated relative stability of Li n (n ≤ 8) clusters in both gas phase and solution. We found that Li 3 has the lowest negative redox potential (thereby highest overall electrode potential) suggesting that cluster based approachmore » could provide a novel way of engineering the next generation battery technology. The microscopic origin of Li 3 cluster’s superior performance is related to two major factors: gas phase ionization and difference between solvation free energy for neutral and positive ion. Taken together, our study provides insight into the engineering of redox potential in battery and could stimulate further work in this direction.« less
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Engineering Redox Potential of Lithium Clusters for Electrode Material in Lithium-Ion Batteries
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kushwaha, Anoop Kumar; Sahoo, Mihir Ranjan; Nanda, Jagjit
Low negative electrode potential and high reactivity makes lithium (Li) ideal candidate for obtaining highest possible energy density among other materials. Here, we show a novel route with which the overall electrode potential could significantly be enhanced through selection of cluster size. In using first principles density functional theory and continuum dielectric model, we studied free energy and redox potential as well as investigated relative stability of Li n (n ≤ 8) clusters in both gas phase and solution. We found that Li 3 has the lowest negative redox potential (thereby highest overall electrode potential) suggesting that cluster based approachmore » could provide a novel way of engineering the next generation battery technology. The microscopic origin of Li 3 cluster’s superior performance is related to two major factors: gas phase ionization and difference between solvation free energy for neutral and positive ion. Taken together, our study provides insight into the engineering of redox potential in battery and could stimulate further work in this direction.« less
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Lithium Abundances in the Young Open Cluster IC 2602
NASA Technical Reports Server (NTRS)
Randich, S.; Aharpour, N.; Pallavicini, R.; Prosser, C. F.; Stauffer, J. R.
1997-01-01
We have obtained high-resolution spectra for 28 candidate late-type stars in the 30 Myr old cluster IC 2602. NLTE Li abundances have been derived from measured equivalent widths. The log n(Li) - T(sub eff) and log n(Li) - mass distributions for our sample stars have been compared with those of the Pleiades and alpha Persei. Our data show that F stars in the three clusters have the same lithium content, which corresponds to the initial content for Pop. I stars. G and early-K IC 2602 stars are, on average, somewhat more Li-rich than their counterparts in the two slightly older clusters. Finally, the latest-type IC 2602 stars are heavily Li depleted, with their Li content being as low as the lowest measured among the Pleiades. As in the Pleiades and alpha Per, a star-to-star scatter in lithium is observed among 30 Myr old late-K/early-K dwarfs in IC 2602, indicating that this spread develops in the pre-main sequence phases.
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Pliego, Josefredo R; Miguel, Elizabeth L M
2013-05-02
Absolute solvation free energy of the lithium cation in methanol was calculated by the cluster-continuum quasichemical theory of solvation. Clusters with up to five methanol molecules were investigated using X3LYP, MP2, and MP4 methods with DZVP, 6-311+G(2df,2p), TZVPP+diff, and QZVPP+diff basis sets and including the cluster solvation through the PCM and SMD continuum models. Our calculations have determined a value of -118.1 kcal mol(-1) for the solvation free energy of the lithium, in close agreement with a value of -116.6 kcal mol(-1) consistent with the TATB assumption. Using data of solvation and transfer free energy of a pair of ions, electrode potentials and pKa, we have obtained the solvation free energy of 25 ions in methanol. Our analysis leads to a value of -253.6 kcal mol(-1) for the solvation free energy of the proton, which can be compared with the value of -263.5 kcal mol(-1) obtained by Kelly et al. using the cluster pair approximation. Considering that this difference is due to the methanol surface potential, we have estimated that it corresponds to -0.429 V.
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Lithium in Open Cluster Red Giants Hosting Substellar Companions
NASA Technical Reports Server (NTRS)
Carlberg, Joleen K.; Smith, Verne V.; Cunha, Katia; Carpenter, Kenneth G.
2016-01-01
We have measured stellar parameters, [Fe/H], lithium abundances, rotation, and (12)C/13C in a small sample of red giants (RGs) in three open clusters that are each home to a RG star that hosts a substellar companion (SSC) (NGC 2423 3, NGC 4349 127, and BD+12 1917 in M67). Our goal is to explore whether the presence of SSCs influences the Li content. Both (12)C/13C and stellar rotation are measured as additional tracers of stellar mixing. One of the companion hosts, NGC 2423?3, is found to be Li-rich with A(Li)(sub NLTE) = 1.56 dex, and this abundance is significantly higher than the A(Li) of the two comparison stars in NGC 2423. All three SSC hosts have the highest A(Li) and (12)C/13C when compared to the control RGs in their respective clusters; however, except for NGC 2423?3, at least one control star has similarly high abundances within the uncertainties. Higher A(Li) could suggest that the formation or presence of planets plays a role in the degree of internal mixing on or before the RG branch. However, a multitude of factors affect A(Li) during the RG phase, and when the abundances of our sample are compared with the abundances of RGs in other open clusters available in the literature, we find that they all fall well within a much larger distribution of A(Li) and (12)C/13C. Thus, even the high Li in NGC 2423 3 cannot be concretely tied to the presence of the SSC.
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Lithium in Open Cluster Red Giants Hosting Substellar Companions
NASA Astrophysics Data System (ADS)
Carlberg, Joleen K.; Smith, Verne V.; Cunha, Katia; Carpenter, Kenneth G.
2016-02-01
We have measured stellar parameters, [Fe/H], lithium abundances, rotation, and 12C/13C in a small sample of red giants (RGs) in three open clusters that are each home to a RG star that hosts a substellar companion (SSC) (NGC 2423 3, NGC 4349 127, and BD+12 1917 in M67). Our goal is to explore whether the presence of SSCs influences the Li content. Both 12C/13C and stellar rotation are measured as additional tracers of stellar mixing. One of the companion hosts, NGC 2423 3, is found to be Li-rich with A(Li){}{{NLTE}} = 1.56 dex, and this abundance is significantly higher than the A(Li) of the two comparison stars in NGC 2423. All three SSC hosts have the highest A(Li) and 12C/13C when compared to the control RGs in their respective clusters; however, except for NGC 2423 3, at least one control star has similarly high abundances within the uncertainties. Higher A(Li) could suggest that the formation or presence of planets plays a role in the degree of internal mixing on or before the RG branch. However, a multitude of factors affect A(Li) during the RG phase, and when the abundances of our sample are compared with the abundances of RGs in other open clusters available in the literature, we find that they all fall well within a much larger distribution of A(Li) and 12C/13C. Thus, even the high Li in NGC 2423 3 cannot be concretely tied to the presence of the SSC.
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The cost of lithium is unlikely to upend the price of Li-ion storage systems
NASA Astrophysics Data System (ADS)
Ciez, Rebecca E.; Whitacre, J. F.
2016-07-01
As lithium ion batteries become more common in electric vehicles and other storage applications, concerns about the cost of their namesake material, and its impact on the cost of these batteries, will continue. However, examining the constituent materials of these devices shows that lithium is a relatively small contributor to both the battery mass and manufacturing cost. The use of more expensive lithium precursor materials results in less than 1% increases in the cost of lithium ion cells considered. Similarly, larger fluctuations in the global lithium price (from 0 to 25/kg from a baseline of 7.50 per kg of Li2CO3) do not change the cost of lithium ion cells by more than 10%. While this small cost increase will not have a substantial impact on consumers, it could affect the manufacturers of these lithium ion cells, who already operate with small profit margins.
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Federal Register 2010, 2011, 2012, 2013, 2014
2011-04-20
... Committee 225: Rechargeable Lithium Batteries and Battery Systems--Small and Medium Sizes AGENCY: Federal... Lithium Batteries and Battery Systems--Small and Medium Sizes. SUMMARY: The FAA is issuing this notice to advise the public of a meeting of RTCA Special Committee 225: Rechargeable Lithium Batteries and Battery...
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Federal Register 2010, 2011, 2012, 2013, 2014
2011-02-03
... 225: Rechargeable Lithium Batteries and Battery Systems--Small and Medium Sizes AGENCY: Federal... Lithium Batteries and Battery Systems--Small and Medium Sizes. SUMMARY: The FAA is issuing this notice to advise the public of a meeting of RTCA Special Committee 225: Rechargeable Lithium Batteries and Battery...
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Federal Register 2010, 2011, 2012, 2013, 2014
2011-09-01
... Committee 225: Rechargeable Lithium Batteries and Battery Systems--Small and Medium Sizes AGENCY: Federal... Lithium Batteries and Battery Systems--Small and Medium Sizes. SUMMARY: The FAA is issuing this notice to advise the public of a meeting of RTCA Special Committee 225: Rechargeable Lithium Batteries and Battery...
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Federal Register 2010, 2011, 2012, 2013, 2014
2011-07-01
... 225: Rechargeable Lithium Batteries and Battery Systems--Small and Medium Sizes AGENCY: Federal... Lithium Batteries and Battery Systems--Small and Medium Sizes. SUMMARY: The FAA is issuing this notice to advise the public of a meeting of RTCA Special Committee 225: Rechargeable Lithium Batteries and Battery...
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REEXAMINING THE LITHIUM DEPLETION BOUNDARY IN THE PLEIADES AND THE INFERRED AGE OF THE CLUSTER
DOE Office of Scientific and Technical Information (OSTI.GOV)
Dahm, S. E.
2015-11-10
Moderate-dispersion (R ∼ 5400), optical spectroscopy of seven brown dwarf candidate members of the Pleiades was obtained using the Echellette Spectrograph and Imager on the Keck II telescope. The proper motion and photometrically selected sample lies on the single-star main sequence of the cluster and effectively brackets the established lithium depletion boundary. The brown dwarf candidates range in spectral type from M6 to M7, implying effective temperatures between ∼2800 and 2650 K. All sources exhibit Hα emission, consistent with enhanced chromospheric activity that is expected for young, very low-mass stars and brown dwarfs. Li i λ6708 absorption is confidently detected inmore » the photospheres of two of the seven sources. A revised lithium depletion boundary is established in the near-infrared where the effects of extinction and variability are minimized. This lithium depletion edge occurs near K{sub o} = 14.45 or M{sub K} = 8.78 mag (UKIRT Infrared Deep Sky Survey), assuming the most accurate and precise distance estimate for the cluster of 136.2 pc. From recent theoretical evolutionary models, a revised age of τ = 112 ± 5 Myr is determined for the Pleiades. Accounting for the effects of magnetic activity on the photospheres of these very low-mass stars and brown dwarfs, however, would imply an even younger age for the cluster of ∼100 Myr.« less
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76 FR 53056 - Outbound International Mailings of Lithium Batteries
Federal Register 2010, 2011, 2012, 2013, 2014
2011-08-25
... or lithium-ion batteries in accordance with Packing Instruction 967, Section II, or Packing... Secondary Lithium-ion (Rechargeable) Cells and Batteries. Small consumer-type lithium-ion cells and... shipment may contain a maximum of four lithium-ion cells or two lithium-ion batteries. c. The lithium...
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Nucleation and growth in cluster dynamics: A quantitative test of the classical kinetic approach
NASA Astrophysics Data System (ADS)
Gránásy, László; James, Peter F.
2000-12-01
Nucleation and size dependent growth of nanometer sized crystalline particles in glassy media have been studied by numerically solving the Turnbull-Fisher master equations that describe the time evolution of cluster population. Time dependencies of the formation rate and number density are determined for large clusters (built of up to 2×105 formula units, containing 1.8×106 atoms). We demonstrate that the formation rate and number density of such clusters are well approximated by Shneidman's asymptotically exact analytical solution. A quantitative test of the kinetic Turnbull-Fisher model has been performed: Evaluating the kinetic coefficients and interfacial parameters from the transient time and steady-state nucleation rates measured on six stoichiometric oxide glass compositions (lithium-disilicate, barium-disilicate, lithium-diborate, wollastonite, 1:2:3 and 2:1:3 soda-lime-silica glass compositions), we calculated the macroscopic growth rates and compared with experiments. For wollastonite, lithium-diborate and the 1:2:3 soda-lime-silica glass, differences of 2 to 4 orders of magnitude have been observed between theory and experiment. This inadequacy of the microscopic kinetic parameters in describing macroscopic growth cannot be explained by either the curvature effect on the interfacial free energy or the self-consistency correction for the cluster free energy. The origin of the discrepancy is discussed.
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NASA Astrophysics Data System (ADS)
Barrado, D.; Bouy, H.; Bouvier, J.; Moraux, E.; Sarro, L. M.; Bertin, E.; Cuillandre, J.-C.; Stauffer, J. R.; Lillo-Box, J.; Pollock, A.
2016-12-01
Context. Stellar clusters open the window to understanding stellar evolution and, in particular, the change with time and the dependence on mass of different stellar properties. As such, stellar clusters act as laboratories where different theories can be tested. Aims: We try to understand the origin of the connection between lithium depletion in F, G, and K stars, rotation and activity in the Pleiades open cluster. Methods: We have collected all the relevant data in the literature, including information regarding rotation period, binarity, and activity, and cross-matched this data with proper motions, multiwavelength photometry, and membership probability from the DANCe database. To avoid biases, we only included single members of the Pleiades with probabilities larger than 75% in the discussion. Results: The analysis confirms that there is a strong link between activity, rotation, and the lithium equivalent width excess, especially for the range Lum(bol) = 0.5-0.2L⊙ (about K2-K7 spectral types or 0.75-0.95 M⊙). Conclusions: It is not possible to disentangle these effects, but we cannot exclude that the observed lithium overabundance is partially an observational effect from enhanced activity owing to a large coverage by stellar spots induced by high rotation rates. Since a bona fide lithium enhancement is present in young, fast rotators, both activity and rotation should play a role in the lithium problem. Tables 1-3 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/596/A113
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77 FR 28259 - Mailings of Lithium Batteries
Federal Register 2010, 2011, 2012, 2013, 2014
2012-05-14
... containing lithium metal or lithium-ion cells or batteries and applies regardless of quantity, size, watt... ``lithium content'' for secondary lithium-ion batteries when describing maximum quantity limits. In addition...-ion (Rechargeable) Cells and Batteries [Revise 10.20.6 as follows:] Small consumer-type lithium-ion...
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Lithium Abundance in M3 Red Giant
NASA Astrophysics Data System (ADS)
Givens, Rashad; Pilachowski, Catherine A.
2015-01-01
We present the abundance of lithium in the red giant star vZ 1050 (SK 291) in the globular cluster M3. A previous survey of giants in the cluster showed that like IV-101, vZ 1050 displays a prominent Li I 6707 Å feature. vZ 1050 lies on the blue side of the red giant branch about 1.3 magnitudes above the level of the horizontal branch, and may be an asymptotic giant branch star. A high resolution spectrum of M3 vZ1050 was obtained with the ARC 3.5m telescope and the ARC Echelle Spectrograph (ARCES). Atmospheric parameters were determined using Fe I and Fe II lines from the spectrum using the MOOG spectral analysis program, and the lithium abundance was determined using spectrum synthesis.
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Survey of Commercial Small Lithium Polymer Batteries
2007-09-19
by a liquid electrolyte which is made conductive for Li ions by the addition of a salt such as lithium hexafluorophosphate (LiPF6). The...Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6110--07-9073 Survey of Commercial Small Lithium Polymer Batteries September 19, 2007... Lithium Polymer Batteries Arnold M. Stux and Karen Swider-Lyons Naval Research Laboratory 4555 Overlook Avenue, SW Washington, DC 20375-5320 NRL/MR
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77 FR 68069 - Outbound International Mailings of Lithium Batteries
Federal Register 2010, 2011, 2012, 2013, 2014
2012-11-15
... (Rechargeable) Cells and Batteries Small consumer-type lithium-ion cells and batteries like those used to power... of only four lithium-ion cells or two lithium-ion batteries. c. The lithium content must not exceed... POSTAL SERVICE 39 CFR Part 20 Outbound International Mailings of Lithium Batteries AGENCY: Postal...
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NASA Astrophysics Data System (ADS)
Cargile, Phillip; James, D. J.; Villalon, K.; Girgenti, S.; Mermilliod, J.
2007-12-01
We present a new catalog of lithium equivalent widths for 20 solar-type stars in the young (60-100 Myr), nearby (250 pc) open cluster Blanco 1, measured from high-resolution spectra (R 30,000), taken during an observing run on the 2.1m telescope at McDonald Observatory. These new lithium data, coupled with the 20 or so extant measurements in the literature, are used in combination with the results of a recently completed standardized BVIc CCD survey, and corresponding 2MASS near-infrared colors, to derive precise lithium abundances for solar-type stars in Blanco 1. Comparing these new results with the existing lithium dataset for other open clusters, we investigate the mass- and age-dependent lithium depletion distribution among early-epoch (< 1Gyr) solar-type stars, and specifically, the lithium abundance scatter as a function of mass in Blanco 1. Our scientific project is highly synergystic with a pedagogical philosophy. We have instituted a program whereby undergraduate students - typically majoring in Liberal Arts and performing an independent study in Astronomy - receive hands-on research experience observing with the 2.1m telescope at the McDonald Observatory. After their observing run, these undergraduates take part in the reduction and analysis of the acquired spectra, and their research experience typically culminates in writing an undergraduate thesis and/or giving a professional seminar to the Astronomy group at Vanderbilt University.
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2015-03-16
AFRL-OSR-VA-TR-2015-0088 Theoretical Study of Novel Nanostructured Materials for Lithium - Ion Batteries Mario Sanchez-Vazquez CENTRO DE INVESTIGACION...of Novel Nanostructured Materials to Be Utilized as Anodes for Lithium - ion Batteries 5a. CONTRACT NUMBER 5b. GRANT NUMBER FA9550-13-1-0175 5c...as anodes for Lithium - ion batteries Final Report Nancy Perez-Peralta and Mario Sanchez-Vazquez Abstract In order to find out if silicon
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NASA Astrophysics Data System (ADS)
Zhou, Shuai; Zhou, Yu; Jiang, Wei; Guo, Huajun; Wang, Zhixing; Li, Xinhai
2018-05-01
Iron oxides are considered as attractive electrode materials because of their capability of lithium storage, but their poor conductivity and large volume expansion lead to unsatisfactory cycling stability. We designed and synthesized a novel Fe3O4 cluster microspheres/Graphene aerogels composite (Fe3O4/GAs), where Fe3O4 nanoparticles were assembled into cluster microspheres and then embedded in 3D graphene aerogels framework. In the spheres, the sufficient free space between Fe3O4 nanoparticles could accommodate the volume change during cycling process. Graphene aerogel works as flexible and conductive matrix, which can not only significantly increase the mechanical stress, but also further improve the storage properties. The Fe3O4/GAs composite as an anode material exhibits high reversible capability and excellent cyclic capacity for lithium ion batteries (LIBs). A reversible capability of 650 mAh g-1 after 500 cycles at a current density of 1 A g-1 can be maintained. The superior storage capabilities of the composites make them potential anode materials for LIBs.
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Method for producing dense lithium lanthanum tantalate lithium-ion conducting ceramics
Brown-Shaklee, Harlan James; Ihlefeld, Jon; Spoerke, Erik David; Blea-Kirby, Mia Angelica
2018-05-08
A method to produce high density, uniform lithium lanthanum tantalate lithium-ion conducting ceramics uses small particles that are sintered in a pressureless crucible that limits loss of Li2O.
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Aggarwal, Ashim; Sarmiento, Joseph J; Charles, David R; Parr, Alan R; Baman, Timir S
2016-04-01
Device failure from unanticipated and precipitous battery depletion is uncommon but can be life-threatening. Multiple mechanisms of battery failure have been previously described in the medical literature. However, in this current case series, we describe the largest cohort of patients (n = 4) with St. Jude (St. Paul, MN, USA) early implantable defibrillator battery depletion attributable to lithium cluster formation causing short circuit and high current drain. Clinicians must be aware of this occult cause of device failure and more studies are needed to determine its true prevalence. © 2015 Wiley Periodicals, Inc.
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78 FR 1119 - Hazardous Materials: Transportation of Lithium Batteries
Federal Register 2010, 2011, 2012, 2013, 2014
2013-01-07
... lithium ion cells and batteries with Watt-hours consistent with international standards; --Provisions for... ion batteries in vehicles; --Provisions for shipments of ``small production'' and prototype lithium...: Transportation of Lithium Batteries AGENCY: Pipeline and Hazardous Materials Safety Administration (PHMSA), DOT...
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The Effects of Magnetic Activity on Lithium-Inferred Ages of Stars
NASA Astrophysics Data System (ADS)
Juarez, Aaron J.; Cargile, Phillip A.; James, David J.; Stassun, Keivan G.
2014-08-01
In this project, we investigate the effects of magnetic activity on the Lithium Depletion Boundary (LDB) to recalibrate the measured ages for star clusters, using the open cluster Blanco 1 as a pilot study. We apply the LDB technique on low-mass Pre-Main-Sequence (PMS) stars to derive an accurate age for Blanco 1, and we consider the effect of magnetic activity on this inferred age. Although observations have shown that magnetic activity directly affects stellar radius and temperature, most PMS models do not include the effects of magnetic activity on stellar properties. Since the lithium abundance of a star depends on its radius and temperature, we expect that LDB ages are affected by magnetic activity. After empirically accounting for the effects of magnetic activity, we find the age of Blanco 1 to be ~100 Myr, which is ~30 Myr younger than the standard LDB age of ~130 Myr.
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Pokorney, Sean D; Greenfield, Ruth Ann; Atwater, Brett D; Daubert, James P; Piccini, Jonathan P
2014-12-01
Battery failure is an uncommon complication of implantable cardioverter-defibrillators (ICDs), but unanticipated battery depletion can have life-threatening consequences. The purpose of this study was to describe the prevalence of a novel mechanism of battery failure in St. Jude Medical Fortify and Unify ICDs. Cases of premature Fortify battery failure from a single center are reported. A search (January 1, 2010 through November 30, 2013) for Fortify and Unify premature batter failure was conducted of the Food and Drug Administration's Manufacturer and User Facility Device Experience Database (MAUDE). These findings were supplemented with information provided by St. Jude Medical. Premature battery failure for 2 Fortify ICDs in our practice were attributed to the presence of lithium clusters near the cathode, causing a short circuit and high current drain. The prevalence of this mechanism of premature battery failure was 0.6% in our practice. A MAUDE search identified 39 cases of Fortify (30) and Unify (9) premature battery depletion confirmed by the manufacturer, representing a 0.03% prevalence. Four additional Fortify and 2 Unify cases were identified in MAUDE as suspected premature battery depletion, but in these cases the pulse generator was not returned to the manufacturer for evaluation. St. Jude Medical identified 10 cases of premature battery failure due to lithium clusters in Fortify devices (9) and Unify devices (1), representing a 0.004% prevalence. The deposition of lithium clusters near the cathode is a novel mechanism of premature battery failure. The prevalence of this problem is unknown. Providers should be aware of this mechanism for patient management. Copyright © 2014 Heart Rhythm Society. Published by Elsevier Inc. All rights reserved.
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Herteleer, L; Zwarts, L; Hens, K; Forero, D; Del-Favero, J; Callaerts, P
2016-05-01
Lithium and valproate (VPA) are drugs used in the management of bipolar disorder. Even though they reportedly act on various pathways, the transcriptional targets relevant for disease mechanism and therapeutic effect remain unclear. Furthermore, multiple studies used lymphoblasts of bipolar patients as a cellular proxy, but it remains unclear whether peripheral cells provide a good readout for the effects of these drugs in the brain. We used Drosophila culture cells and adult flies to analyze the transcriptional effects of lithium and VPA and define mechanistic pathways. Transcriptional profiles were determined for Drosophila S2-cells and adult fly heads following lithium or VPA treatment. Gene ontology categories were identified using the DAVID functional annotation tool with a cut-off of p < 0.05. Significantly enriched GO terms were clustered using REVIGO and DAVID functional annotation clustering. Significance of overlap between transcript lists was determined with a Fisher's exact hypergeometric test. Treatment of cultured cells and adult flies with lithium and VPA induces transcriptional responses in genes with similar ontology, with as most prominent immune response, neuronal development, neuronal function, and metabolism. (i) Transcriptional effects of lithium and VPA in Drosophila S2 cells and heads show significant overlap. (ii) The overlap between transcriptional alterations in peripheral versus neuronal cells at the single gene level is negligible, but at the gene ontology and pathway level considerable overlap can be found. (iii) Lithium and VPA act on evolutionarily conserved pathways in Drosophila and mammalian models.
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The Lithium Depletion Boundary and the Age of the Hyades Cluster
NASA Astrophysics Data System (ADS)
Martín, Eduardo L.; Lodieu, Nicolas; Pavlenko, Yakiv; Béjar, Víctor J. S.
2018-03-01
Determination of the lithium depletion boundary (LDB), i.e., the observational limit below which the cores of very low-mass objects do not reach high enough temperatures for Li destruction, has been used to obtain ages for several open clusters and stellar associations younger than 200 Myr—which until now has been considered the practical upper limit on the range of applicability of this method. In this work, we show that the LDB method can be extended to significant older ages than previously thought. Intermediate resolution optical spectra of six L-type candidate members in the Hyades cluster obtained using Optical System for Imaging and Low Resolution Integrated Spectroscopy at the 10.4 m Gran Telescopio Canarias are presented. The {Li} {{I}} 670.8 nm resonance doublet is clearly detected only in the two faintest and coolest of these objects, which are classified as L3.5 to L4 brown dwarf (BD) cluster members with luminosities around 10‑4 solar. Lithium depletion factors are estimated for our targets with the aid of synthetic spectra and they are compared with predictions from evolutionary models. An LDB age of 650 ± 70 Myr for the Hyades provides a consistent description of our data using a set of state-of-the-art evolutionary models for BDs calculated by Baraffe et al. Based on data obtained at the Gran Telescopio Canarias.
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Rahman, Md Mokhlesur; Glushenkov, Alexey M; Chen, Zhiqiang; Dai, Xiujuan J; Ramireddy, Thrinathreddy; Chen, Ying
2013-12-14
We report the preparation of a novel nanocomposite architecture of α-LiFeO2-MWCNT based on clusters of α-LiFeO2 nanoparticles incorporated into multiwalled carbon nanotubes (MWCNTs). The composite represents a promising cathode material for lithium-ion batteries. The preparation of the nanocomposite is achieved by combining a molten salt precipitation process and a radio frequency oxygen plasma for the first time. We demonstrate that clusters of α-LiFeO2 nanoparticles incorporated into MWCNTs are capable of delivering a stable and high reversible capacity of 147 mA h g(-1) at 1 C after 100 cycles with the first cycle Coulombic efficiency of ~95%. The rate capability of the composite is significantly improved and its reversible capacity is measured to be 101 mA h g(-1) at a high current rate of 10 C. Both rate capability and cycling stability are not simply a result of introduction of functionalized MWCNTs but most likely originate from the unique composite structure of clusters of α-LiFeO2 nanoparticles integrated into a network of MWCNTs. The excellent electrochemical performance of this new nanocomposite opens up new opportunities in the development of high-performance electrode materials for energy storage application using the radio frequency oxygen plasma technique.
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Highly efficient lithium composite anode with hydrophobic molten salt in seawater
NASA Astrophysics Data System (ADS)
Zhang, Yancheng; Urquidi-Macdonald, Mirna
A lithium composite anode (lithium/1-butyl-3-methyl-imidazoleum hexafluorophosphate (BMI +PF 6-)/4-VLZ) for primary lithium/seawater semi-fuel-cells is proposed to reduce lithium-water parasitic reaction and, hence, increase the lithium anodic efficiency up to 100%. The lithium composite anode was activated when in contact with artificial seawater (3% NaCl solution) and the output was a stable anodic current density at 0.2 mA/cm 2, which lasted about 10 h under potentiostatic polarization at +0.5 V versus open circuit potential (OCP); the anodic efficiency was indirectly measured to be 100%. With time, a small traces of water diffused through the hydrophobic molten salt, BMI +PF 6-, reached the lithium interface and formed a double layer film (LiH/LiOH). Accordingly, the current density decreased and the anodic efficiency was estimated to be 90%. The hypothesis of small traces of water penetrating the molten salt and reaching the lithium anode—after several hours of operation—is supported by the collected experimental current density and hydrogen evolution, electrochemical impedance spectrum analysis, and non-mechanistic interface film modeling of lithium/BMI +PF 6-.
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Lu, Jun; Cheng, Lei; Lau, Kah Chun; ...
2014-09-12
Lithium–oxygen batteries have the potential needed for long-range electric vehicles, but the charge and discharge chemistries are complex and not well understood. The active sites on cathode surfaces and their role in electrochemical reactions in aprotic lithium–oxygen cells are difficult to ascertain because the exact nature of the sites is unknown. In this paper, we report the deposition of subnanometre silver clusters of exact size and number of atoms on passivated carbon to study the discharge process in lithium–oxygen cells. The results reveal dramatically different morphologies of the electrochemically grown lithium peroxide dependent on the size of the clusters. Thismore » dependence is found to be due to the influence of the cluster size on the formation mechanism, which also affects the charge process. Finally, the results of this study suggest that precise control of subnanometre surface structure on cathodes can be used as a means to improve the performance of lithium–oxygen cells.« less
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NASA Astrophysics Data System (ADS)
Baraffe, I.; Pratt, J.; Goffrey, T.; Constantino, T.; Folini, D.; Popov, M. V.; Walder, R.; Viallet, M.
2017-08-01
We study lithium depletion in low-mass and solar-like stars as a function of time, using a new diffusion coefficient describing extra-mixing taking place at the bottom of a convective envelope. This new form is motivated by multi-dimensional fully compressible, time-implicit hydrodynamic simulations performed with the MUSIC code. Intermittent convective mixing at the convective boundary in a star can be modeled using extreme value theory, a statistical analysis frequently used for finance, meteorology, and environmental science. In this Letter, we implement this statistical diffusion coefficient in a one-dimensional stellar evolution code, using parameters calibrated from multi-dimensional hydrodynamic simulations of a young low-mass star. We propose a new scenario that can explain observations of the surface abundance of lithium in the Sun and in clusters covering a wide range of ages, from ˜50 Myr to ˜4 Gyr. Because it relies on our physical model of convective penetration, this scenario has a limited number of assumptions. It can explain the observed trend between rotation and depletion, based on a single additional assumption, namely, that rotation affects the mixing efficiency at the convective boundary. We suggest the existence of a threshold in stellar rotation rate above which rotation strongly prevents the vertical penetration of plumes and below which rotation has small effects. In addition to providing a possible explanation for the long-standing problem of lithium depletion in pre-main-sequence and main-sequence stars, the strength of our scenario is that its basic assumptions can be tested by future hydrodynamic simulations.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Baraffe, I.; Pratt, J.; Goffrey, T.
We study lithium depletion in low-mass and solar-like stars as a function of time, using a new diffusion coefficient describing extra-mixing taking place at the bottom of a convective envelope. This new form is motivated by multi-dimensional fully compressible, time-implicit hydrodynamic simulations performed with the MUSIC code. Intermittent convective mixing at the convective boundary in a star can be modeled using extreme value theory, a statistical analysis frequently used for finance, meteorology, and environmental science. In this Letter, we implement this statistical diffusion coefficient in a one-dimensional stellar evolution code, using parameters calibrated from multi-dimensional hydrodynamic simulations of a youngmore » low-mass star. We propose a new scenario that can explain observations of the surface abundance of lithium in the Sun and in clusters covering a wide range of ages, from ∼50 Myr to ∼4 Gyr. Because it relies on our physical model of convective penetration, this scenario has a limited number of assumptions. It can explain the observed trend between rotation and depletion, based on a single additional assumption, namely, that rotation affects the mixing efficiency at the convective boundary. We suggest the existence of a threshold in stellar rotation rate above which rotation strongly prevents the vertical penetration of plumes and below which rotation has small effects. In addition to providing a possible explanation for the long-standing problem of lithium depletion in pre-main-sequence and main-sequence stars, the strength of our scenario is that its basic assumptions can be tested by future hydrodynamic simulations.« less
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The 2004 NASA Aerospace Battery Workshop
NASA Technical Reports Server (NTRS)
2006-01-01
Topics covered include: Super NiCd(TradeMark) Energy Storage for Gravity Probe-B Relativity Mission; Hubble Space Telescope 2004 Battery Update; The Development of Hermetically Sealed Aerospace Nickel-Metal Hydride Cell; Serial Charging Test on High Capacity Li-Ion Cells for the Orbiter Advanced Hydraulic Power System; Cell Equalization of Lithium-Ion Cells; The Long-Term Performance of Small-Cell Batteries Without Cell-Balancing Electronics; Identification and Treatment of Lithium Battery Cell Imbalance under Flight Conditions; Battery Control Boards for Li-Ion Batteries on Mars Exploration Rovers; Cell Over Voltage Protection and Balancing Circuit of the Lithium-Ion Battery; Lithium-Ion Battery Electronics for Aerospace Applications; Lithium-Ion Cell Charge Control Unit; Lithium Ion Battery Cell Bypass Circuit Test Results at the U.S. Naval Research Laboratory; High Capacity Battery Cell By-Pass Switches: High Current Pulse Testing of Lithium-Ion; Battery By-Pass Switches to Verify Their Ability to Withstand Short-Circuits; Incorporation of Physics-Based, Spatially-Resolved Battery Models into System Simulations; A Monte Carlo Model for Li-Ion Battery Life Projections; Thermal Behavior of Large Lithium-Ion Cells; Thermal Imaging of Aerospace Battery Cells; High Rate Designed 50 Ah Li-Ion Cell for LEO Applications; Evaluation of Corrosion Behavior in Aerospace Lithium-Ion Cells; Performance of AEA 80 Ah Battery Under GEO Profile; LEO Li-Ion Battery Testing; A Review of the Feasibility Investigation of Commercial Laminated Lithium-Ion Polymer Cells for Space Applications; Lithium-Ion Verification Test Program; Panasonic Small Cell Testing for AHPS; Lithium-Ion Small Cell Battery Shorting Study; Low-Earth-Orbit and Geosynchronous-Earth-Orbit Testing of 80 Ah Batteries under Real-Time Profiles; Update on Development of Lithium-Ion Cells for Space Applications at JAXA; Foreign Comparative Technology: Launch Vehicle Battery Cell Testing; 20V, 40 Ah Lithium Ion Polymer Battery for the Spacesuit; Low Temperature Life-Cycle Testing of a Lithium-Ion Battery for Low-Earth-Orbiting Spacecraft; and Evaluation of the Effects of DoD and Charge Rate on a LEO Optimized 50 Ah Li-Ion Aerospace Cell.
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Positive electrode for a lithium battery
Park, Sang-Ho; Amine, Khalil
2015-04-07
A method for producing a lithium alkali transition metal oxide for use as a positive electrode material for lithium secondary batteries by a precipitation method. The positive electrode material is a lithium alkali transition metal composite oxide and is prepared by mixing a solid state mixed with alkali and transition metal carbonate and a lithium source. The mixture is thermally treated to obtain a small amount of alkali metal residual in the lithium transition metal composite oxide cathode material.
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NASA Astrophysics Data System (ADS)
Ni, Erfu; Uematsu, Shinya; Quan, Zhen; Sonoyama, Noriyuki
2013-06-01
Molecular cluster ion compound K7NiV13O38 (KNiV) has been studied as a novel cathode material for lithium ion battery. The nanoparticles are prepared by a simple re-crystallization method adding different volumes of acetone to the water solution containing the dissolved KNiV. The KNiV re-crystallized from water/acetone ratio of 1:5 shows the most uniform particle size distribution and the smallest particles with thickness of 100 nm and width of 150 nm. The nanoparticle KNiV shows significant improvement in initial discharge capacity and capacity retention after 50 cycles compared to the as-prepared micro-sized particles at various current densities. Ex situ XRD patterns demonstrate that the discharge-charge process proceeds with amorphous KNiV, which is independent from the crystal structure. Ex situ FT-IR spectra indicate that [NiV13O38]7- cluster ion is stable and reacts reversibly with lithium ion in the discharge-charge process.
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The Abundance of Lithium in an ABG Star in the Globular Cluster M3 (NGC 5272)
NASA Astrophysics Data System (ADS)
Givens, R. A.; Pilachowski, C. A.
2016-12-01
A survey of red giants in the globular cluster M3 with the Hydra multi-object spectrograph on the WIYN 3.5 m telescope indicated a prominent Li i 6707 Å feature in the red giant vZ 1050. Followup spectroscopy with the ARC 3.5 m telescope confirmed this observation and yielded a derived abundance of A(Li)NLTE = 1.6 ± 0.05. In addition, the high oxygen and low sodium abundances measured from the same spectrum suggest that vZ 1050 is a first generation cluster star. The location of vZ 1050 above the horizontal branch and blueward of the red giant branch in the cluster’s color-magnitude diagram places vZ 1050 on M3's asymptotic giant branch. The likely source for the enhanced lithium abundance is the Cameron-Fowler mechanism operating in vZ 1050 itself.
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Federal Register 2010, 2011, 2012, 2013, 2014
2011-12-07
..., L.P. proposes to provide equity financing to Lithium Technologies, Inc., 6121 Hollis Street, Suite 4, Emeryville, CA 94608 (``Lithium''). The financing is contemplated for working capital and general operating... Partners SBIC, L.P., own more than ten percent of Lithium. Therefore, Lithium is considered an Associate of...
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Lithium in ROSAT-discovered candidate members in the Alpha Persei cluster
NASA Astrophysics Data System (ADS)
Randich, S.; Martin, E. L.; Garcia Lopez, R. J.; Pallavicini, R.
1998-05-01
We present lithium observations of 23 X-ray selected candidate members of alpha Per, which are part of a larger sample of stars identified through two ROSAT surveys of the cluster. Our observations on one hand allowed us to confirm membership for 18 of the candidates, thus suggesting that a high percentage of the whole X-ray selected candidates are probably cluster members. On the other hand, we had the possibility to significantly enlarge the Li database for this cluster. The distribution of Li abundances for stars in our sample (or `new' members) is in good agreement with that for previously known (or `old') members, although `new' members in the 5000 - 4700 T_eff interval stay on the upper envelope of the Li vs. T_eff diagram. The comparison of the merged `new' + `old' sample with the younger IC 2602 and IC 4665 clusters and with the older Pleiades confirms that stars more massive than the Sun do not undergo any PMS Li destruction, whereas some depletion occurs during the early phases on the ZAMS. We re-addressed the issue of the star-to-star scatter and Li-rotation connection for both alpha Per and the Pleiades; as several previous studies have pointed out, fast rotators, as a group, show higher lithium than slow rotators. At the same time, however, fast rotators exhibit a much narrower dispersion than slow rotators. We demonstrate that this dicothomy is unlikely due to projection effects and suggest that the reason for it could reside in the PMS rotational history and, in particular, in the presence (absence) of a circumstellar disk. As to very cool stars (T_eff < 4500 K), we find that alpha Per members do not seem to have higher lithium than the Pleiades. This result, however, must be confirmed with a larger sample of alpha Per stars before any conclusion can be drawn. Based on observations made with the Isaac Newton telescope, operated on the island of La Palma by the Isaac Newton Group in the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrof\\'\\i sica de Canarias.
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NASA Astrophysics Data System (ADS)
Liu, Chi-Ping; Zhou, Fei; Ozolins, Vidvuds; University of California, Los Angeles Collaboration; Lawrence livermore national laboratory Collaboration
2015-03-01
Bulk molybdenum disulfide (MoS2) is a good electrode material candidate for energy storage applications, such as lithium ion batteries and supercapacitors due to its high theoretical energy and power density. First-principles density-functional theory (DFT) calculations combined with cluster expansion are an effective method to study thermodynamic and kinetic properties of electrode materials. In order to construct accurate models for cluster expansion, it is important to effectively choose clusters with significant contributions. In this work, we employ a compressive sensing based technique to select relevant clusters in order to build an accurate Hamiltonian for cluster expansion, enabling the study of Li intercalation in MoS2. We find that the 2H MoS2 structure is only stable at low Li content while 1T MoS2 is the preferred phase at high Li content. The results show that the 2H MoS2 phase transforms into the disordered 1T phase and the disordered 1T structure remains after the first Li insertion/deinsertion cycle suggesting that disordered 1T MoS2 is stable even at dilute Li content. This work also highlights that cluster expansion treated with compressive sensing is an effective and powerful tool for model construction and can be applied to advanced battery and supercapacitor electrode materials.
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Lithium Ion Battery Design and Safety
NASA Technical Reports Server (NTRS)
Au, George; Locke, Laura
2001-01-01
This viewgraph presentation makes several recommendations to ensure the safe and effective design of Lithium ion cell batteries. Large lithium ion cells require pressure switches and small cells require pressure disconnects and other safety devices with the ability to instantly interrupt flow. Other suggestions include specifications for batteries and battery chargers.
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Inhibition of caudal fin regeneration in Corydoras aeneus by lithium chloride.
Zarnescu, Otilia; Stavri, Simona; Moldovan, Lucia
2013-03-01
In the present study we examined the effects of lithium chloride on the Corydoras aeneus caudal fin regeneration. After caudal fin amputation, the fish were exposed 3h daily to 35 mM lithium chloride for 9 days. The effects of lithium chloride treatment were evaluated by analyzing the caudal fin structure at 3, 6 and 9 days after amputation. Comparison of normal and LiCl treated fish clearly shows that regeneration of amputated caudal fins was inhibited or delayed after lithium treatment. By the third day after amputation (dpa) either no epidermal cap or blastema ever formed or the epidermal cap had an abnormal morphology in lithium treated fish. By the 3 and 6 dpa no lepidotrichial matrix deposition was observed in the lithium treated fish compared to control fish. Unlike the control fish that completely regenerate their caudal fins after 9 dpa and have fully mineralized lepidotrichia, lithium treated fish have small blastema. In some treated fish, small amounts of new lepidotrichial matrix were observed at this time, in some fin rays. Ultrastructural observations have shown differences between control and lithium treated fish. Thus, in the lithium treated fish we observed expanded intercellular spaces between epidermal cells and many apoptotic cells. Results of this study suggest the use of this model in elucidating the molecular mechanisms that are responsible for regeneration of complex structures such as fish fins. Copyright © 2013 Elsevier Ltd. All rights reserved.
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NASA Astrophysics Data System (ADS)
Andonov, P.; Fischer, H. E.; Palleau, P.; Kimura, S.
2001-05-01
The structure of liquid LiNbO3 has been investigated by neutron diffraction using samples with different isotopic composition of lithium. The intensity scattered by these samples has been measured for momentum transfers 0.4 Å-1 T> 1500 K, which include the undercooling domain. From an analysis of the correlation functions Gij(r) of the atomic pairs Li-Li, Li-Nb, Li-O and their structural evolutions, given by Δ Gi-j (r) = Gi-j(r)1500 -Gi-j(r)1550 made with reference to the crystalline LiNbO3 ferroelectric structure, it was possible to confirm a local ordering similar to that of the crystal. The presence of clusters (groupings of NbO3 octahedra) is confirmed. Both regular and irregular N b06 octahedra are observed in the liquid near solidification. With its high mobility in the melt, the Li atom plays an important role in the clustering: the Li-O and Li-Nb bonds make possible the staking of four octahedra groups into clusters of eight octahedra or more. The Li-Li bonds join these groups. The diameter of the clusters is a least 22 Å in the undercooling regime.
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Kanehisa, Masayuki; Terao, Takeshi; Shiotsuki, Ippei; Kurosawa, Keiko; Takenaka, Ryuichi; Sakamoto, Teruo; Shigemitsu, Osamu; Ishii, Nobuyoshi; Hatano, Koji; Hirakawa, Hirofumi
2017-11-01
Several epidemiological studies have shown the inverse association of lithium levels in drinking water and suicide rates; however, it is necessary to perform a clinical study dealing with individual patients. We analyzed 199 patients including 31 patients with suicide attempts, 21 patients with self-harm, and 147 control patients. All were transferred to a university emergency department suffering from intoxication or injury, were aged 20 or more years, and were alive at the start of the study. The exclusion criteria consisted of suffering from schizophrenia and a past or present history of lithium therapy. These exclusions were applied because it is difficult to determine whether their suicide attempt was induced by the intent to end their life or by psychotic symptoms such as auditory hallucinations, and if the patient had received lithium therapy, the association between the small amount of lithium taken from drinking water and food and serum lithium levels cannot be detected. There was a significant difference (p = 0.043) between the three groups whereby patients with suicide attempts had significantly lower lithium levels than control patients (p = 0.012) in males but not females. Multivariate logistic regression analysis with adjustment for age and gender revealed that patients with suicide attempts had significantly lower lithium levels than control patients (p = 0.032, odds ratio 0.228, 95% CI 0.059-0.883). The limitations of the present study are the nature of observational research which cannot reveal a causal relationship and the relatively small number of subjects. The present findings suggest that higher serum lithium levels may be protective against suicide attempts in lithium therapy-naive individuals.
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IDENTIFICATION OF THE LITHIUM DEPLETION BOUNDARY AND AGE OF THE SOUTHERN OPEN CLUSTER BLANCO 1
DOE Office of Scientific and Technical Information (OSTI.GOV)
Cargile, P. A.; James, D. J.; Jeffries, R. D., E-mail: p.cargile@vanderbilt.ed
2010-12-20
We present results from a spectroscopic study of the very low mass members of the Southern open cluster Blanco 1 using the Gemini-N telescope. We obtained intermediate resolution (R {approx} 4400) GMOS spectra for 15 cluster candidate members with I {approx} 14-20 mag, and employed a series of membership criteria-proximity to the cluster's sequence in an I/I - K{sub s} color-magnitude diagram (CMD), kinematics agreeing with the cluster systemic motion, magnetic activity as a youth indicator-to classify 10 of these objects as probable cluster members. For these objects, we searched for the presence of the Li I 6708 A featuremore » to identify the lithium depletion boundary (LDB) in Blanco 1. The I/I - K{sub s} CMD shows a clear mass segregation in the Li distribution along the cluster sequence; namely, all higher mass stars are found to be Li poor, while lower mass stars are found to be Li rich. The division between Li-poor and Li-rich (i.e., the LDB) in Blanco 1 is found at I = 18.78 {+-} 0.24 and I - K{sub s} = 3.05 {+-} 0.10. Using current pre-main-sequence evolutionary models, we determine an LDB age of 132 {+-} 24 Myr. Comparing our derived LDB age to upper-main-sequence isochrone ages for Blanco 1, as well as for other open clusters with identified LDBs, we find good chronometric consistency when using stellar evolution models that incorporate a moderate degree of convective core overshoot.« less
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NASA Astrophysics Data System (ADS)
1999-02-01
New Spectrograph Explores the Skies from La Silla While a major effort is now spent on the Very Large Telescope and its advanced instruments at Paranal, ESO is also continuing to operate and upgrade the extensive research facilities at La Silla, its other observatory site. ESO PR Photo 03a/99 ESO PR Photo 03a/99 [Preview - JPEG: 800 x 1212 pix - 606k] [High-Res - JPEG: 1981 x 3000 pix - 3.6M] Caption to PR Photo 03a/99 : This photo shows the ESO 1.52-m telescope, installed since almost 30 years in its dome at the La Silla observatory in the southern Atacama desert. The new FEROS spectrograph is placed in an adjacent, thermally and humidity controlled room in the telescope building (where a classical coudé spectrograph was formerly located). The light is guided from the telescope to the spectrograph by 14-m long optical fibres. Within this programme, a new and powerful spectrograph, known as the Fibre-fed Extended Range Optical Spectrograph (FEROS) , has recently been built by a consortium of European institutes. It was commissioned in late 1998 at the ESO 1.52-m telescope by a small team of astronomers and engineers and has already produced the first, interesting scientific results. FEROS is able to record spectra of comparatively faint stars. For instance, it may be used to measure the chemical composition of stars similar to our Sun at distances of up to about 2,500 light-years, or to study motions in the atmospheres of supergiant stars in the Magellanic Clouds. These satellite galaxies to the Milky Way are more than 150,000 light-years away and can only be observed with telescopes located in the southern hemisphere. First FEROS observations uncover an unusual star ESO PR Photo 03b/99 ESO PR Photo 03b/99 [Preview - JPEG: 800 x 958 pix - 390k] [High-Res - JPEG: 3000 x 3594 pix - 1.7M] Caption to PR Photo 03b/99 : This diagramme shows the spectrum of the Lithium rich giant star S50 in the open stellar cluster Be21 , compared to that of a normal giant star ( S156 ) in the same cluster. The comparatively strong absorption line at the centre, at wavelength 6708 Å (671 nm), is caused by Lithium atoms (Li I) in the upper layers of the star's atmosphere. Lines from Iron (Fe I) and Calcium (Ca I) atoms are also present in this spectral region. While they are of about equal strength in the two stars, the Lithium line is not seen in the comparison spectrum of S156 . Stellar evolution theories do not predict the presence of Lithium in a giant star like S50 . Technical information: FEROS obtained two spectra (each of 90 min exposure) of S50 , both showing this strong Lithium line and thus proving that it cannot have been caused by an instrumental effect. These spectra also illustrate the great amount of information that may be obtained in each exposure with FEROS - the shown spectral interval is just 1/280 of the total range recorded. The (visual) magnitude of S50 is 15.6, i.e., about 7,000 times fainter than what can be seen with the unaided eye. During the first tests of FEROS at the 1.52-m telescope, spectra were obtained of many different stars. Some of these observational data could be used for scientific purposes and, in one case, led to the discovery of unusual properties of a giant star in a stellar cluster. Its spectrum shows an unexplained large amount of the cosmologically important, light element Lithium, cf. PR Photo 03b/99 . The star is thus an obvious object for further, even more detailed studies with ESO's Very Large Telescope (VLT). This giant star, designated as S50 , is a member of the open-type stellar cluster Be21 (less dense than globular clusters). This cluster is of special interest, since its stars contain few elements heavier than hydrogen and helium. It is located in the direction opposite to the Galactic Center and the distance has been measured as approximately 16,000 light-years. All of its stars were formed at the same time, about 2,000 - 2,500 million years ago; this corresponds to half of the age of the Solar System. The study of stars in this cluster provides important information about the chemical evolution of the Milky Way galaxy. The significance of Lithium Lithium is not a very common element in daily life (except in batteries and certain medical drugs), but it is of great interest in astronomy. It is the heaviest element that is supposed to have been created in measurable quantities in the early Universe, soon after the Big Bang. All stars destroy most of their Lithium soon after their formation, although some manage to produce this element again at a later stage of their evolution [1]. There may be a substantial loss of Lithium from evolved stars into the interstellar medium (ISM). This element is indeed observed in the ISM. Calculations have shown that the primordial (original) abundance of Lithium was about ten times less than what is now measured in the ISM. The present abundance of Lithium in the Sun is over 100 times less than in the ISM. Large quantities of this element would certainly not be expected in a star as old as S50, especially since violent motions in the atmospheres of such giant stars very efficiently mix the material in the upper layers with that from the star's inner regions where the ongoing nuclear processes quickly destroy any Lithium. Still, the FEROS spectra show the presence in S50 of Lithium in quantities similar to that in the ISM - or in the proto-solar nebula from which the Sun and the planets formed, about 4,600 million years ago! The spectra of many hundreds of giant stars in the solar neighbourhood have been recorded, but only a few have shown such an unusual presence of Lithium. This is the first time that a Lithium rich giant star has been found in a stellar cluster and for which a comparatively accurate age can be determined. In fact, S50 appears to contain more of this fragile element than any other giant star observed so far. What is the origin of the Lithium in S50? How can this unexpected observation be explained? The astronomers do not know, but suggest two possible causes. One might be the recent infall of a large planet or a brown dwarf star (an object too small to become a star and hence without nuclear processes, cf. ESO PR 07/97 ) into the atmosphere of S50 . Another is that the star experiences a very short evolutionary period very rarely observed [2] and during which Lithium is produced and brought to the upper atmosphere. According to our current knowledge of stellar evolution, S50 is due to lose much of its mass through a strong stellar wind during the next few million years. Its Lithium will then be returned to the ISM and thereby contribute to the above mentioned enrichment of this medium. Future observations There is little doubt that this star and many other giant stars in stellar clusters will be high on the list of objects that will soon be observed with the next large instrument to be installed at the VLT on Paranal. Some months after the First Light event of the second VLT 8.2-m Unit Telescope (UT2) in March 1999, the UVES high-dispersion spectrograph will be mounted on this large telescope. This powerful telescope/instrument combination will also be able to extend this type of astronomical studies to fainter and more distant stars, in the Milky Way as well as in the Magellanic Clouds. Still, the VLT UT2 will also have many other tasks to perform. It is therefore important that FEROS is available as an effective and dedicated spectroscopic facility that is bound to uncover many other unusual objects in the southern sky. FEROS - a high-dispersion spectrograph fed by optical fibres FEROS is a state-of-the-art high-resolution spectrograph, based on an advanced concept. The light from celestial objects is collected by the 1.52-m telescope and transferred to the new instrument through optical fibres. It was built in a collaboration between the Heidelberg State Observatory , the Copenhagen University Astronomical Observatory and ESO . The Heidelberg State Observatory was responsible for the overall design and construction, as well as the data reduction software; this institution was also involved in the construction of the first major instrument for the VLT, FORS. The Copenhagen University Observatory provided the detector controller and took care of the associated installation and tests. ESO supplied the first concept for the new spectrograph, its infrastructure, the fibre link between the telescope and the instrument, and the CCD detector by means of which the spectra are recorded. FEROS is a rather unique instrument. It combines a very large spectral coverage from the near-ultraviolet to the infrared region of the spectrum (360 to 920 nm, altogether 560 nm in one exposure) and a high resolving power. The full spectral range is divided into about 100,000 separate pixels, each of which corresponds to a velocity interval of about 3 km/sec. Moreover, FEROS is extremely light-efficient for an instrument of this complex type. Despite the large number of optical elements needed to produce exceedingly detailed spectra of very high quality, 46% of the light entering the spectrograph is actually recorded by the detector. FEROS is mounted on an optical bench in an isolated and thermally controlled room next to the telescope and is an extremely stable instrument. It is operated in a very user-friendly way, and the observing astronomer can obtain quick-look results directly at the telescope using the FEROS on-line data reduction pipeline that is integrated into the ESO-MIDAS image processing system. Notes: [1]: In addition to very young stars that have not yet destroyed their "original" Lithium, this element is also found in the upper atmospheres of some peculiar stars of the so-called Asymptotic Giant Branch (AGB) type. It is believed that this is the result of nuclear burning of the Helium isotope 3 He that has been produced inside such stars during an earlier evolutionary phase. The Lithium is then brought to the surface by means of "convection", i.e., strong turbulence in the star's thin gaseous layers. [2]: From the observed properties of S50 (magnitude, colour, spectrum), it is clear that this star is not of the AGB type . How to obtain ESO Press Information ESO Press Information is made available on the World-Wide Web (URL: http://www.eso.org../ ). ESO Press Photos may be reproduced, if credit is given to the European Southern Observatory.
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Lithium wall conditioning by high frequency pellet injection in RFX-mod
NASA Astrophysics Data System (ADS)
Innocente, P.; Mansfield, D. K.; Roquemore, A. L.; Agostini, M.; Barison, S.; Canton, A.; Carraro, L.; Cavazzana, R.; De Masi, G.; Fassina, A.; Fiameni, S.; Grando, L.; Rais, B.; Rossetto, F.; Scarin, P.
2015-08-01
In the RFX-mod reversed field pinch experiment, lithium wall conditioning has been tested with multiple scopes: to improve density control, to reduce impurities and to increase energy and particle confinement time. Large single lithium pellet injection, lithium capillary-pore system and lithium evaporation has been used for lithiumization. The last two methods, which presently provide the best results in tokamak devices, have limited applicability in the RFX-mod device due to the magnetic field characteristics and geometrical constraints. On the other side, the first mentioned technique did not allow injecting large amount of lithium. To improve the deposition, recently in RFX-mod small lithium multi-pellets injection has been tested. In this paper we compare lithium multi-pellets injection to the other techniques. Multi-pellets gave more uniform Li deposition than evaporator, but provided similar effects on plasma parameters, showing that further optimizations are required.
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Merz, Klaus; Moreno, Mariluna; Löffler, Elke; Khodeir, Lamy; Rittermeier, Andre; Fink, Karin; Kotsis, Konstantinos; Muhler, Martin; Driess, Matthias
2008-01-07
The remarkably distinct reactivity of hydridozinc heterobimetallic cubanes [(HZnOtBu)4-n(thf LiOtBu)n] 1a-1d towards CO2 is reported--the hydride transfer from Zn-H to CO2 is drastically accelerated in the presence of Li ions in 1b-1d which led to the respective metal formate hydrates; the systems are inspiring models for the selective conversion of water gas into formates on lithium-promoted ZnO supports.
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Dutta, Arghya; Wong, Raymond A; Park, Woonghyeon; Yamanaka, Keisuke; Ohta, Toshiaki; Jung, Yousung; Byon, Hye Ryung
2018-02-14
The major challenge facing lithium-oxygen batteries is the insulating and bulk lithium peroxide discharge product, which causes sluggish decomposition and increasing overpotential during recharge. Here, we demonstrate an improved round-trip efficiency of ~80% by means of a mesoporous carbon electrode, which directs the growth of one-dimensional and amorphous lithium peroxide. Morphologically, the one-dimensional nanostructures with small volume and high surface show improved charge transport and promote delithiation (lithium ion dissolution) during recharge and thus plays a critical role in the facile decomposition of lithium peroxide. Thermodynamically, density functional calculations reveal that disordered geometric arrangements of the surface atoms in the amorphous structure lead to weaker binding of the key reaction intermediate lithium superoxide, yielding smaller oxygen reduction and evolution overpotentials compared to the crystalline surface. This study suggests a strategy to enhance the decomposition rate of lithium peroxide by exploiting the size and shape of one-dimensional nanostructured lithium peroxide.
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A probable stellar solution to the cosmological lithium discrepancy.
Korn, A J; Grundahl, F; Richard, O; Barklem, P S; Mashonkina, L; Collet, R; Piskunov, N; Gustafsson, B
2006-08-10
The measurement of the cosmic microwave background has strongly constrained the cosmological parameters of the Universe. When the measured density of baryons (ordinary matter) is combined with standard Big Bang nucleosynthesis calculations, the amounts of hydrogen, helium and lithium produced shortly after the Big Bang can be predicted with unprecedented precision. The predicted primordial lithium abundance is a factor of two to three higher than the value measured in the atmospheres of old stars. With estimated errors of 10 to 25%, this cosmological lithium discrepancy seriously challenges our understanding of stellar physics, Big Bang nucleosynthesis or both. Certain modifications to nucleosynthesis have been proposed, but found experimentally not to be viable. Diffusion theory, however, predicts atmospheric abundances of stars to vary with time, which offers a possible explanation of the discrepancy. Here we report spectroscopic observations of stars in the metal-poor globular cluster NGC 6397 that reveal trends of atmospheric abundance with evolutionary stage for various elements. These element-specific trends are reproduced by stellar-evolution models with diffusion and turbulent mixing. We thus conclude that diffusion is predominantly responsible for the low apparent stellar lithium abundance in the atmospheres of old stars by transporting the lithium deep into the star.
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Zhang, Zhongyue; Yoshikawa, Hirofumi; Awaga, Kunio
2014-11-19
By adopting a facile synthetic strategy, we obtained a microporous redox-active metal-organic framework (MOF), namely, Cu(2,7-AQDC) (2,7-H2AQDC = 2,7-anthraquinonedicarboxylic acid) (1), and utilized it as a cathode active material in lithium batteries. With a voltage window of 4.0-1.7 V, both metal clusters and anthraquinone groups in the ligands exhibited reversible redox activity. The valence change of copper cations was clearly evidenced by in situ XANES analysis. By controlling the voltage window of operation, extremely high recyclability of batteries was achieved, suggesting the framework was robust. This MOF is the first example of a porous material showing independent redox activity on both metal cluster nodes and ligand sites.
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The 2RE J0241-525: A Nearby Post T-Tauri Visual Binary System
NASA Technical Reports Server (NTRS)
Jeffries, R. D.; Buckley, D. A. H.; James, D. J.; Stauffer, J. R.
1995-01-01
We present high spatial resolution X-ray observations, photometry and spectroscopy of the two low mass, active stars proposed as optical counterparts to the extreme ultraviolet source 2RE J0241-525 (equal to EUVE J0241-530). It is confirmed that both stars, which are of types dK7e and dM3e and separated by 22 arcsecs, are sources of soft X-ray emission and exhibit substantial chromospheric activity. Radial velocity measurements indicate that the two components are physically associated and most probably single. The projected equatorial velocities are measured as (75 +/- 3) km/s and (11.7 +/- 0.7) km/s for the hotter and cooler components, respectively, and whilst the hotter component has a relatively high photospheric lithium abundance, log N(Li) equal to 1.5 +/- 0.2, we are unable to detect any lithium in the cooler star. Isochrone fitting to this 'mini-cluster' yields an age of (3-70) Myr and a distance of (19-60) pc. An empirical comparison of the lithium abundances with those for similar stars in young clusters and associations narrows this age range to (5-30) Myr and a corresponding distance of (26-50) pc. We conclude that this object is a nearby post T-Tauri system, but we cannot locate any possible birth site. It appears unlikely that the system can have been ejected from a nearby open cluster in a two or three body encounter.
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Two-dimensional triangular lattice and its application to lithium-intercalated layered compounds
NASA Astrophysics Data System (ADS)
Decerqueira, R. O.
1982-08-01
Good rechargeable batteries are being searched for use in electric vehicles and in energy storage during off-peak consumption periods and from solar sources. The interest in lithium intercalation compounds has been recently enhanced by the search for such batteries. The process of intercalation of lithium in several transition metal dichalcogenides can provide an emf of several volts. The progress achieved in the last decade in the investigation of these intercalates has been facilitated by the availability of the dichalcogenides as single crystals and by their chemical stability. The transition-metal dichalcogenides and their Li-intercalates are studied, with emphasis on the Li/su xTa/sub yTi/sub l-y/S2 series. The interactions between the Li atoms and the applicability of a lattice gas model to the problem of ordering of these atoms is discussed. A formulation is presented of the cluster-variation aproximation to the lattice gas problem. The single-site and the nearest-neighbor triangle basic clusters are considered as models for Li/sub x TiS2. Also a theory is presented for the effects of a random distribution of different species of host atoms, as in Ta/sub y/Ti/sub l-y/S2.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Juarez, Aaron J.; Stassun, Keivan G.; Cargile, Phillip A.
2014-11-10
The lithium depletion boundary (LDB) is a robust method for accurately determining the ages of young clusters, but most pre-main-sequence models used to derive LDB ages do not include the effects of magnetic activity on stellar properties. In light of this, we present results from our spectroscopic study of the very-low-mass members of the southern open cluster Blanco 1 using the Gemini-North Telescope, program IDs: GN-2009B-Q-53 and GN-2010B-Q-96. We obtained Gemini Multi-Object Spectrograph spectra at intermediate resolution for cluster candidate members with I ≈ 13-20 mag. From our sample of 43 spectra, we find 14 probable cluster members by consideringmore » proximity to the cluster sequence in an I/I – K {sub s} color-magnitude diagram, agreement with the cluster's systemic radial velocity, and magnetic activity as a youth indicator. We systematically analyze the Hα and Li features and update the LDB age of Blanco 1 to be 126{sub −14}{sup +13} Myr. Our new LDB age for Blanco 1 shows remarkable coevality with the benchmark Pleiades open cluster. Using available empirical activity corrections, we investigate the effects of magnetic activity on the LDB age of Blanco 1. Accounting for activity, we infer a corrected LDB age of 114{sub −10}{sup +9} Myr. This work demonstrates the importance of accounting for magnetic activity on LDB inferred stellar ages, suggesting the need to reinvestigate previous LDB age determinations.« less
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NASA Technical Reports Server (NTRS)
Deliyannis, Constantine P.; King, Jeremy R.; Boesgaard, Ann M.; Ryan, Sean G.
1994-01-01
In open clusters, late-F stars exhibit a Li maximum (the Li 'peak' region) at lower abundance with age, which could be due either to stellar depletion or Galactic Li enrichment (or some other cause). We have observed a short-period tidally locked binary (SPTLB) on the Li peak region in the old cluster M67 to distinguish between alternatives. SPTLBs which synchronized in the early pre-main sequence would avoid the rotational mixing which, according to Yale models, may be responsible for depleting Li with age in open cluster dwarfs. We find that both components of the M67 SPTLB have a Li abundance lying about a factor of 2 or more above any other M67 single star and about a factor of 3 or more above the mean Li peak region abundance in M67. Our results suggest that the initial Li abundance in M67 is at least as high as approximately 3.0 = 12 + log (N(sub Li)/N(sub H)). Our high M67 SPTLB Li abundance and those in other clusters support the combination of Zahn's tidal circularization and the Yale rotational mixing theories and may indicate that the halo Li plateau (analogous to the cluster Li peak region) abundance has been depleted from a higher primordial value. Implications are discussed.
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Lithium in lower-main-sequence stars of the Alpha Persei cluster
NASA Technical Reports Server (NTRS)
Balachandran, Suchitra; Lambert, David L.; Stauffer, John R.
1988-01-01
Lithium abundances are presented for main-sequence stars of spectral types F, G, and K in the young open cluster Alpha Per. For 46 cluster members, a correlation between Li abundance and projected rotational velocity v sin i is found: all of the Li-poor stars are slow rotators. Two explanations are proposed to account for the correlation: (1) that the Li depletion is introduced following a rapid spin-down phase experienced by young low-mass stars, and that this episode of Li depletion may be the dominant one determining the spread of Li abundances among young low-mass main-sequence stars, and (2) that star formation has occurred over a finite period such that the older stars have undergone a spin-down and depletion of Li by a means that may or may not depend on rotation. The Li abundance in the warm and rapidly rotating stars appears to be undepleted, as is predicted by recent models of pre-main-sequence stars. The depletion observed in the cool stars exceeds the level predicted by these models.
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Protective Effects of Lithium on Sumatriptan-Induced Memory Impairment in Mice.
Nikoui, Vahid; Javadi-Paydar, Mehrak; Salehi, Mahtab; Behestani, Selda; Dehpour, Ahmad-Reza
2016-04-01
Lithium is a drug used for the treatment of bipolar disorder. It has several mechanisms of action, and recently it is shown that lithium can antagonize the 5-HT1B/1D serotonin receptors. Sumatriptan is a 5-HT1B/1D receptor agonist used for the treatment of cluster headaches and migraine which might cause memory impairment as a potential side effect. In this study, effects of lithium on sumatriptan-induced memory impairment have been determined in a two-trial recognition Y-maze and passive avoidance tests. Male mice weighing 25-30 g were divided into several groups randomly. In Y-maze test, effects of lithium (1,5,10,20,40,80 mg/kg) and sumatriptan (1,5,10 mg/kg) were assessed on memory acquisition, then lithium (0.1,1,10 mg/kg) and sumatriptan (1,10 mg/kg) were studied in passive avoidance test. Effects of lithium (1mg/kg) on sumatriptan (10 mg/kg)-induced memory impairment were studied in both of tests. The present study demonstrated that sumatriptan impaired memory in Y-maze and passive avoidance tests (P<0.05, P<0.01, respectively). Lithium did not show any significant effect on memory function compared to saline-treated control group in both tests (P>0.05), but significantly reversed sumatriptan-induced memory impairment in Y-maze and passive avoidance tests (P<0.001, P<0.05, respectively). It is concluded that lithium reverses the sumatriptan-induced memory impairment probably through 5-HT1B/1D receptors antagonism.
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Lithium ion conducting ionic electrolytes
Angell, C.A.; Xu, K.; Liu, C.
1996-01-16
A liquid, predominantly lithium-conducting, ionic electrolyte is described which has exceptionally high conductivity at temperatures of 100 C or lower, including room temperature. It comprises molten lithium salts or salt mixtures in which a small amount of an anionic polymer lithium salt is dissolved to stabilize the liquid against recrystallization. Further, a liquid ionic electrolyte which has been rubberized by addition of an extra proportion of anionic polymer, and which has good chemical and electrochemical stability, is described. This presents an attractive alternative to conventional salt-in-polymer electrolytes which are not cationic conductors. 4 figs.
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Lithium ion conducting ionic electrolytes
Angell, C. Austen; Xu, Kang; Liu, Changle
1996-01-01
A liquid, predominantly lithium-conducting, ionic electrolyte is described which has exceptionally high conductivity at temperatures of 100.degree. C. or lower, including room temperature. It comprises molten lithium salts or salt mixtures in which a small amount of an anionic polymer lithium salt is dissolved to stabilize the liquid against recrystallization. Further, a liquid ionic electrolyte which has been rubberized by addition of an extra proportion of anionic polymer, and which has good chemical and electrochemical stability, is described. This presents an attractive alternative to conventional salt-in-polymer electrolytes which are not cationic conductors.
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Lithium ion beam divergence on SABRE extraction ion diode experiments
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hanson, D.L.; Cuneo, M.E.; Johnson, D.J.
Intense lithium beams are of particular interest for light ion inertial confinement fusion applications because lithium ions can be accelerated at high voltage in a single charge state (Li{sup +}) with a high mass-to-charge ratio and appropriate range for efficient focusing and heating of a hohlraum ICF target. Scaling to ion power densities adequate to drive high gain pellet implosions (600 TW at 30 MeV) will require a large number of beams transported, temporally bunched, and focused onto a target, with the necessary target standoff to ensure survival of the driver modules. For efficient long distance transport and focusing tomore » a small pellet, lithium beam divergence must be reduced to about 12 mrad or less (depending on the transport scheme). To support the eventual development of a light ion driver module for ICF applications, the authors are currently working to improve the composition, uniformity, and divergence of lithium ion beams produced by both passive LiF and active laser-generated lithium ion sources on extraction applied-B ion diodes on the SABRE accelerator (1 TW, 5 MV, 250 kA). While lithium beam divergence accounting and control are an essential goal of these experiments, divergence measurements for lithium beams present some unique problems not encountered to the same degree in divergence measurements on proton sources. To avoid these difficulties, the authors have developed a large aperture ion imaging diagnostic for time-resolved lithium divergence measurements. The authors will report on the operation of this lithium beam divergence diagnostic and on results of time-resolved divergence measurements in progress for passive LiF ion sources and laser-produced active lithium sources operated in diode configurations designed to control divergence growth. Comparisons will also be made with time-integrated divergence results obtained with small entrance aperture ultracompact pinhole cameras.« less
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NASA Astrophysics Data System (ADS)
2006-08-01
Analysing a set of stars in a globular cluster with ESO's Very Large Telescope, astronomers may have found the solution to a critical cosmological and stellar riddle. Until now, an embarrassing question was why the abundance of lithium produced in the Big Bang is a factor 2 to 3 times higher than the value measured in the atmospheres of old stars. The answer, the researchers say, lies in the fact that the abundances of elements measured in a star's atmosphere decrease with time. ESO PR Photo 30/06 ESO PR Photo 30/06 Globular cluster NGC 6397, with some of the FLAMES-UVES target stars highlighted "Such trends are predicted by models that take into account the diffusion of elements in a star", said Andreas Korn, lead-author of the paper reporting the results in this week's issue of the journal Nature [1,2]. "But an observational confirmation was lacking. That is, until now." Lithium is one of the very few elements to have been produced in the Big Bang. Once astronomers know the amount of ordinary matter present in the Universe [3], it is rather straightforward to derive how much lithium was created in the early Universe. Lithium can also be measured in the oldest, metal-poor stars, which formed from matter similar to the primordial material. But the cosmologically predicted value is too high to reconcile with the measurements made in the stars. Something is wrong, but what? Diffusive processes altering the relative abundances of elements in stars are well known to play a role in certain classes of stars. Under the force of gravity, heavy elements will tend to sink out of visibility into the star over the course of billions of years. "The effects of diffusion are expected to be more pronounced in old, very metal-poor stars", said Korn. "Given their greater age, diffusion has had more time to produce sizeable effects than in younger stars like the Sun." The astronomers thus set up an observational campaign to test these model predictions, studying a variety of stars in different stages of evolution in the metal-poor globular cluster NGC 6397. Globular clusters [4] are useful laboratories in this respect, as all the stars they contain have identical age and initial chemical composition. The diffusion effects are predicted to vary with evolutionary stage. Therefore, measured atmospheric abundance trends with evolutionary stage are a signature of diffusion. Eighteen stars were observed for between 2 and 12 hours with the multi-object spectrograph FLAMES-UVES on ESO's Very Large Telescope. The FLAMES spectrograph is ideally suited as it allows astronomers to obtain spectra of many stars at a time. Even in a nearby globular cluster like NGC 6397, the unevolved stars are very faint and require rather long exposure times. The observations clearly show systematic abundance trends along the evolutionary sequence of NGC 6397, as predicted by diffusion models with extra mixing. Thus, the abundances measured in the atmospheres of old stars are not, strictly speaking, representative of the gas the stars originally formed from. "Once this effect is corrected for, the abundance of lithium measured in old, unevolved stars agrees with the cosmologically predicted value", said Korn. "The cosmological lithium discrepancy is thus largely removed." "The ball is now in the camp of the theoreticians," he added. "They have to identify the physical mechanism that is at the origin of the extra mixing."
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Polarization entangled cluster state generation in a lithium niobate chip
NASA Astrophysics Data System (ADS)
Szep, Attila; Kim, Richard; Shin, Eunsung; Fanto, Michael L.; Osman, Joseph; Alsing, Paul M.
2016-10-01
We present a design of a quantum information processing C-phase (Controlled-phase) gate applicable for generating cluster states that has a form of integrated photonic circuits assembled with cascaded directional couplers on a Ti in-diffused Lithium Niobate (Ti-LN) platform where directional couplers as the integrated optical analogue of bulk beam splitters are used as fundamental building blocks. Based on experimentally optimized fabrication parameters of Ti-LN optical waveguides operating at an 810nm wavelength, an integrated Ti-LN quantum C-phase gate is designed and simulated. Our proposed C-phase gate consists of three tunable directional couplers cascaded together with having different weighted switching ratios for providing a tool of routing vertically- and horizontally-polarized photons independently. Its operation mechanism relies on selectively controlling the optical coupling of orthogonally polarized modes via the change in the index of refraction, and its operation is confirmed by the BPM simulation.
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A lithium deposition system for tokamak devices*
NASA Astrophysics Data System (ADS)
Graziul, Christopher; Majeski, Richard; Kaita, Robert; Hoffman, Daniel; Timberlake, John; Card, David
2002-11-01
The production of a lithium deposition system using commercially available components is discussed. This system is intended to provide a fresh lithium wall coating between discharges in a tokamak. For this purpose, a film 100-200 Å thick is sufficient to ensure that the plasma interacts solely with the lithium. A test system consisting of a lithium evaporator and a deposition monitor has been designed and constructed to investigate deposition rates and coverage. A Thermionics 3kW e-gun is used to rapidly evaporate small amounts of solid lithium. An Inficon XTM/2 quartz deposition monitor then measures deposition rate at varying distances, positions and angles relative to the e-gun crucible. Initial results from the test system will be presented. *Supported by US DOE contract #DE-AC02-76CH-03073
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Compliant Nanospring Interfaces
2017-01-26
for new generation lithium ion batteries ”, Nano Letters, 2015. [21] Krishnan R, Lu TM and Koratkar N, “Functionally strain-graded nanoscoops for high...for Lithium - Ion Batteries , Electrochem. Solid-State Lett. 2003, 6(9), A198-A201. [48] Teki R, Datta MK, Krishnan R, Parker TC, Lu TM, Kumta PN and...Koratkar N. Nanostructured silicon anodes for lithium ion rechargeable batteries , Small, 2009, 5, 2236-2242. [49] Fleischauer MD, Li J and Brett
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Hazards, Safety and Design Considerations for Commercial Lithium-ion Cells and Batteries
NASA Technical Reports Server (NTRS)
Jeevarajan, Judith
2007-01-01
This viewgraph presentation reviews the features of the Lithium-ion batteries, particularly in reference to the hazards and safety of the battery. Some of the characteristics of the Lithium-ion cell are: Highest Energy Density of Rechargeable Battery Chemistries, No metallic lithium, Leading edge technology, Contains flammable electrolyte, Charge cut-off voltage is critical (overcharge can result in fire), Open circuit voltage higher than metallic lithium anode types with similar organic electrolytes. Intercalation is a process that places small ions in crystal lattice. Small ions (such as lithium, sodium, and the other alkali metals) can fit in the interstitial spaces in a graphite lattice. These metallic ions can go farther and force the graphitic planes apart to fit two, three, or more layers of metallic ions between the carbon sheets. Other features of the battery/cell are: The graphite is conductive, Very high energy density compared to NiMH or NiCd, Corrosion of aluminum occurs very quickly in the presence of air and electrolyte due to the formation of HF from LiPF6 and HF is highly corrosive. Slides showing the Intercalation/Deintercalation and the chemical reactions are shown along with the typical charge/discharge for a cylindrical cell. There are several graphs that review the hazards of the cells.
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A DFT study of pure and lithium doped gold clusters
NASA Astrophysics Data System (ADS)
Rani, Babita
2018-05-01
First principles calculations on Aun and Aun-1Li (n=1-6) clusters are performed to understand the effect of size and composition on their structural and energy parameters. It has been found that binding energy increases continuously with increase in the size of pure Aun and doped Aun-1Li clusters and attains its maximum at n=6. Also, Li doping results in the improvement of relative stabilities of pure gold clusters, owing to higher bond strength (i.e. shorter bond length) of Au- Li bond as compared to Au-Au bonds. Moreover, Aun-1Li clusters are found to be more compact. Structural transformations are observed in case of gold clusters doped with Li atom which may affect their application in the field of catalysis.
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1992-05-01
100"C under vacuum for 24 hours. The corresponding tetraethylammonium hexafluorophosphate (TEAH) was prepared similarly by using ammonium...the four electrolytes examined in acetonitrile (Table III). Nevertheless, use of lithium perchlorate in acetonitrile restricted the range of cluster
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Observation of interstellar lithium in the low-metallicity Small Magellanic Cloud.
Howk, J Christopher; Lehner, Nicolas; Fields, Brian D; Mathews, Grant J
2012-09-06
The primordial abundances of light elements produced in the standard theory of Big Bang nucleosynthesis (BBN) depend only on the cosmic ratio of baryons to photons, a quantity inferred from observations of the microwave background. The predicted primordial (7)Li abundance is four times that measured in the atmospheres of Galactic halo stars. This discrepancy could be caused by modification of surface lithium abundances during the stars' lifetimes or by physics beyond the Standard Model that affects early nucleosynthesis. The lithium abundance of low-metallicity gas provides an alternative constraint on the primordial abundance and cosmic evolution of lithium that is not susceptible to the in situ modifications that may affect stellar atmospheres. Here we report observations of interstellar (7)Li in the low-metallicity gas of the Small Magellanic Cloud, a nearby galaxy with a quarter the Sun's metallicity. The present-day (7)Li abundance of the Small Magellanic Cloud is nearly equal to the BBN predictions, severely constraining the amount of possible subsequent enrichment of the gas by stellar and cosmic-ray nucleosynthesis. Our measurements can be reconciled with standard BBN with an extremely fine-tuned depletion of stellar Li with metallicity. They are also consistent with non-standard BBN.
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Energy to the Edge (E2E) Equipment Assessment U.S. Army Rapid Equipping Force
2015-05-01
120 • Packaging - (3) each (AC module, DC module, and battery module). • System - • Lithium - ion Ferrous Phosphate (LFP), Capability...Mortar Fire Control Systems (MFCS). Lithium batteries were used which reduce Findings: Small Power Systems batteries . The result reduced the...information on lithium batteries . d. • Lower the temperature setting for the cooling fan when inverting power. • output in order to prevent power tripping
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Lithium dendrite and solid electrolyte interphase investigation using OsO4
NASA Astrophysics Data System (ADS)
Zier, Martin; Scheiba, Frieder; Oswald, Steffen; Thomas, Jürgen; Goers, Dietrich; Scherer, Torsten; Klose, Markus; Ehrenberg, Helmut; Eckert, Jürgen
2014-11-01
Osmium tetroxide (OsO4) staining, commonly used to enhance scattering contrast in electron microscopy of biologic tissue and polymer blends, has been adopted for studies of graphite anodes in lithium-ion batteries. OsO4 shows a coordinated reaction with components of the solid electrolyte interphase (SEI) and lithium dendrites, thereby increasing material contrast for scanning electron microscopy investigations. Utilizing the high affinity of lithium metal to react with osmium tetroxide it was possible to localize even small lithium deposits on graphite electrodes. In spite of their reaction with the OsO4 fume, the lithium dendrite morphology remains almost untouched by the staining procedure, offering information on the dendrite growth process. Correlating the quantity of osmium detected with the amount of residual ("dead") lithium of a discharged electrode, it was possible to obtain a practical measure for lithium plating and stripping efficiencies. EDX mappings allowed for a localization of electrochemically stripped lithium dendrites by their residual stained SEI shells. Cross sections, prepared by focused ion beam (FIB) of cycled graphite electrodes treated with OsO4, revealed important information about deposition and distribution of metallic lithium and the electrolyte reduction layer across the electrode.
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Liang, Zheng; Lin, Dingchang; Zhao, Jie; Lu, Zhenda; Liu, Yayuan; Liu, Chong; Lu, Yingying; Wang, Haotian; Yan, Kai; Tao, Xinyong; Cui, Yi
2016-03-15
Lithium metal-based battery is considered one of the best energy storage systems due to its high theoretical capacity and lowest anode potential of all. However, dendritic growth and virtually relative infinity volume change during long-term cycling often lead to severe safety hazards and catastrophic failure. Here, a stable lithium-scaffold composite electrode is developed by lithium melt infusion into a 3D porous carbon matrix with "lithiophilic" coating. Lithium is uniformly entrapped on the matrix surface and in the 3D structure. The resulting composite electrode possesses a high conductive surface area and excellent structural stability upon galvanostatic cycling. We showed stable cycling of this composite electrode with small Li plating/stripping overpotential (<90 mV) at a high current density of 3 mA/cm(2) over 80 cycles.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Kaita, Robert; Boyle, Dennis; Gray, Timothy
Liquid metal walls have been proposed to address the first wall challenge for fusion reactors. The Lithium Tokamak Experiment (LTX) at the Princeton Plasma Physics Laboratory (PPPL) is the first magnetic confinement device to have liquid metal plasma-facing components (PFC's) that encloses virtually the entire plasma. In the Current Drive Experiment-Upgrade (CDX-U), a predecessor to LTX at PPPL, the highest improvement in energy confinement ever observed in Ohmically-heated tokamak plasmas was achieved with a toroidal liquid lithium limiter. The LTX extends this liquid lithium PFC by using a conducting conformal shell that almost completely surrounds the plasma. By heating themore » shell, a lithium coating on the plasma-facing side can be kept liquefied. A consequence of the low-recycling conditions from liquid lithium walls is the need for efficient plasma fueling. For this purpose, a molecular cluster injector is being developed. Future plans include the installation of a neutral beam for core plasma fueling, and also ion temperature measurements using charge-exchange recombination spectroscopy. Low edge recycling is also predicted to reduce temperature gradients that drive drift wave turbulence. Gyrokinetic simulations are in progress to calculate fluctuation levels and transport for LTX plasmas, and new fluctuation diagnostics are under development to test these predictions. __________________________________________________« less
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METHOD FOR PRODUCING ISOTOPIC METHANES FROM LITHIUM CARBONATE AND LITHIUM HYDRIDE
Frazer, J.W.
1959-10-27
A process is descrlbed for the production of methane and for the production of methane containing isotopes of hydrogen and/or carbon. Finely divided lithium hydrlde and litldum carbonate reactants are mixed in intimate contact and subsequently compacted under pressures of from 5000 to 60,000 psl. The compacted lithium hydride and lithium carbenate reactunts are dispised in a gas collecting apparatus. Subsequently, the compact is heated to a temperature in the range 350 to 400 deg C whereupon a solid-solid reaction takes place and gaseous methane is evolved. The evolved methane is contaminated with gaseous hydrogen and a very small amount of CO/sub 2/; however, the desired methane product is separated from sald impurities by well known chemical processes, e.g., condensation in a cold trap. The product methane contalns isotopes of carbon and hydrogen, the Isotopic composition being determined by the carbon isotopes originally present In the lithium carbonate and the hydrogen isotopes originally present in the lithium hydride.
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NASA Technical Reports Server (NTRS)
Stupica, John; Goradia, Chandra; Swartz, Clifford K.; Weinberg, Irving
1987-01-01
Two lithium-counterdoped n+p silicon solar cells with different lithium concentrations were irradiated by 10-MeV protons. Cell performance was measured as a function of fluence, and it was found that the cell with the highest concentration of lithium had the highest radiation resistance. Deep level transient spectroscopy which showed two deep level defects that were lithium related. Relating the defect energy levels obtained from this study with those from earlier work using 1-MeV electron irradiation shows no correlation of the defect energy levels. There is one marked similarity: the absence of the boron-interstitial-oxygen-interstitial defect. This consistency strengthens the belief that lithium interacts with oxygen to prevent the formation of the boron interstitial-oxygen interstitial defect. The results indicate that, in general, addition of lithium in small amounts to the p-base of a boron doped silicon solar cell such that the base remains p-type, tends to increase the radiation resistance of the cell.
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NASA Astrophysics Data System (ADS)
Shank, Joshua C.; Tellekamp, M. Brooks; Doolittle, W. Alan
2015-01-01
The theoretically suggested band structure of the novel p-type semiconductor lithium niobite (LiNbO2), the direct coupling of photons to ion motion, and optically induced band structure modifications are investigated by temperature dependent photoluminescence. LiNbO2 has previously been used as a memristor material but is shown here to be useful as a sensor owing to the electrical, optical, and chemical ease of lithium removal and insertion. Despite the high concentration of vacancies present in lithium niobite due to the intentional removal of lithium atoms, strong photoluminescence spectra are observed even at room temperature that experimentally confirm the suggested band structure implying transitions from a flat conduction band to a degenerate valence band. Removal of small amounts of lithium significantly modifies the photoluminescence spectra including additional larger than stoichiometric-band gap features. Sufficient removal of lithium results in the elimination of the photoluminescence response supporting the predicted transition from a direct to indirect band gap semiconductor. In addition, non-thermal coupling between the incident laser and lithium ions is observed and results in modulation of the electrical impedance.
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NASA Astrophysics Data System (ADS)
Yanagisawa, Ryota; Endo, Hisayuki; Unno, Masafumi; Morimoto, Hideyuki; Tobishima, Shin-ichi
2014-11-01
Influence of mixing organic silicon compounds into 1 M (M: mol L-1) LiPF6-ethylene carbonate (EC)/ethylmethyl carbonate (EMC) (mixing volume ratio = 3:7) mixed solvent electrolytes on charge-discharge cycling efficiencies of lithium metal negative electrodes is examined. As organic silicon compounds, polyether-modified siloxanes with polyethylene oxide chains, chlorotrimethylsilane, tetraethoxysilane, cis-tetra [isobutyl (dimethylsiloxy)] cyclotetrasiloxane and cage-type silsesquioxane are investigated. Charge-discharge cycling tests of lithium are galvanostatically carried out using stainless steel working electrodes. Charge-discharge cycling efficiencies of lithium tend to improve by mixing organic silicon compounds. A cage-type silsesquioxane, octaphenyloctasilsesquioxane (Ph8T8) exhibits the highest cycling efficiency of approximately 80% with small mixing amount of 0.02 M Ph8T8. Mechanism of enhancement of lithium cycling efficiencies by mixing organic silicon compounds is considered to be due to the suppression of excess reduction of LiPF6-EC/EMC by lithium and the growth of surface film on lithium.
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Bruck, Andrea M; Yin, Jiefu; Tong, Xiao; Takeuchi, Esther S; Takeuchi, Kenneth J; Szczepura, Lisa F; Marschilok, Amy C
2018-05-07
The cluster-based material Re 6 Se 8 Cl 2 is a two-dimensional ternary material with cluster-cluster bonding across the a and b axes capable of multiple electron transfer accompanied by ion insertion across the c axis. The Li/Re 6 Se 8 Cl 2 system showed reversible electron transfer from 1 to 3 electron equivalents (ee) at high current densities (88 mA/g). Upon cycling to 4 ee, there was evidence of capacity degradation over 50 cycles associated with the formation of an organic solid-electrolyte interface (between 1.45 and 1 V vs Li/Li + ). This investigation highlights the ability of cluster-based materials with two-dimensional cluster bonding to be used in applications such as energy storage, showing structural stability and high rate capability.
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NASA Astrophysics Data System (ADS)
O'Rourke, Conn; Morgan, Benjamin J.
2018-04-01
The (Li,Al)-codoped magnesium spinel (LixMg1 -2 xAl2 +xO4 ) is a solid lithium-ion electrolyte with potential use in all-solid-state lithium-ion batteries. The spinel structure means that interfaces with spinel electrodes, such as LiyMn2O4 and Li4 +3 zTi5O12 , may be lattice matched, with potentially low interfacial resistances. Small lattice parameter differences across a lattice-matched interface are unavoidable, causing residual epitaxial strain. This strain potentially modifies lithium diffusion near the electrolyte-electrode interface, contributing to interfacial resistance. Here, we report a density functional theory study of strain effects on lithium diffusion pathways for (Li,Al)-codoped magnesium spinel, for xLi=0.25 and xLi=0.5 . We have calculated diffusion profiles for the unstrained materials, and for isotropic and biaxial tensile strains of up to 6 % , corresponding to {100 } epitaxial interfaces with LiyMn2O4 and Li4 +3 zTi5O12 . We find that isotropic tensile strain reduces lithium diffusion barriers by as much as 0.32 eV , with typical barriers reduced by ˜0.1 eV. This effect is associated with increased volumes of transitional octahedral sites, and broadly follows qualitative changes in local electrostatic potentials. For biaxial (epitaxial) strain, which more closely approximates strain at a lattice-matched electrolyte-electrode interface, changes in octahedral site volumes and in lithium diffusion barriers are much smaller than under isotropic strain. Typical barriers are reduced by only ˜0.05 eV. Individual effects, however, depend on the pathway considered and the relative strain orientation. These results predict that isotropic strain strongly affects ionic conductivities in (Li,Al)-codoped magnesium spinel electrolytes, and that tensile strain is a potential route to enhanced lithium transport. For a lattice-matched interface with candidate spinel-structured electrodes, however, epitaxial strain has a small, but complex, effect on lithium diffusion barriers.
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A lithium-oxygen battery with a long cycle life in an air-like atmosphere.
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.
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Abnormal behaviour of lithium in coeval stars?
NASA Astrophysics Data System (ADS)
Llorente de Andrés, F.; Morales-Durán, C.; Chavero, C.; de la Reza, R.
2015-05-01
Due to its fragility, the light element lithium (Li) is an excellent and very used indicator of stellar processes. Our interest here is to explore and try to understand the Li dispersion observed in some stellar open clusters which are not explained by the standard theories. A typical and historical case, for example, is that found for stars cooler than the stellar effective temperature Teff ˜ 5500 K in the Pleiades cluster with an age of ˜ 130 My (see details in Figure 2 of this poster). What is the mechanism that provoques this dispersion?. Up to now, mainly three mechanisms are being proposed : (1) Episodic accretion during the protostellar phase (Barafee et al. 2010). (2) Rotational stellar internal mixing shears due to a star-disk interaction (Eggenberger at al. 2012) and (3) Li depletion by an increased stellar radius (Somers et al. 2014). We will explore this problem using the rotational option (2) (Chavero et al. 2014) and also identifying stellar interlopers in some groups.
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LITHIUM-RICH GIANTS IN GLOBULAR CLUSTERS
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kirby, Evan N.; Cohen, Judith G.; Guhathakurta, Puragra
Although red giants deplete lithium on their surfaces, some giants are Li-rich. Intermediate-mass asymptotic giant branch (AGB) stars can generate Li through the Cameron–Fowler conveyor, but the existence of Li-rich, low-mass red giant branch (RGB) stars is puzzling. Globular clusters are the best sites to examine this phenomenon because it is straightforward to determine membership in the cluster and to identify the evolutionary state of each star. In 72 hours of Keck/DEIMOS exposures in 25 clusters, we found four Li-rich RGB and two Li-rich AGB stars. There were 1696 RGB and 125 AGB stars with measurements or upper limits consistentmore » with normal abundances of Li. Hence, the frequency of Li-richness in globular clusters is (0.2 ± 0.1)% for the RGB, (1.6 ± 1.1)% for the AGB, and (0.3 ± 0.1)% for all giants. Because the Li-rich RGB stars are on the lower RGB, Li self-generation mechanisms proposed to occur at the luminosity function bump or He core flash cannot explain these four lower RGB stars. We propose the following origin for Li enrichment: (1) All luminous giants experience a brief phase of Li enrichment at the He core flash. (2) All post-RGB stars with binary companions on the lower RGB will engage in mass transfer. This scenario predicts that 0.1% of lower RGB stars will appear Li-rich due to mass transfer from a recently Li-enhanced companion. This frequency is at the lower end of our confidence interval.« less
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THE SUPER LITHIUM-RICH RED GIANT RAPID ROTATOR G0928+73.2600: A CASE FOR PLANET ACCRETION?
DOE Office of Scientific and Technical Information (OSTI.GOV)
Carlberg, Joleen K.; Majewski, Steven R.; Rood, Robert T.
2010-11-01
We present the discovery of a super lithium-rich K giant star, G0928+73.2600. This red giant (T {sub eff} = 4885 K and log g = 2.65) is a fast rotator with a projected rotational velocity of 8.4 km s{sup -1} and an unusually high lithium abundance of A(Li) = 3.30 dex. Although the lack of a measured parallax precludes knowing the exact evolutionary phase, an isochrone-derived estimate of its luminosity places the star on the Hertzsprung-Russell diagram in a location that is not consistent with either the red bump on the first ascent of the red giant branch or withmore » the second ascent on the asymptotic giant branch, the two evolutionary stages where lithium-rich giant stars tend to cluster. Thus, even among the already unusual group of lithium-rich giant stars, G0928+73.2600 is peculiar. Using {sup 12}C/{sup 13}C as a tracer for mixing-more mixing leads to lower {sup 12}C/{sup 13}C-we find {sup 12}C/{sup 13}C = 28, which is near the expected value for standard first dredge-up mixing. We can therefore conclude that 'extra' deep mixing has not occurred. Regardless of the ambiguity of the evolutionary stage, the extremely large lithium abundance and the rotational velocity of this star are unusual, and we speculate that G0928+73.2600 has been enriched in both lithium and angular momentum from a sub-stellar companion.« less
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Ab Initio Investigations of High-Pressure Melting of Dense Lithium
NASA Astrophysics Data System (ADS)
Clay, Raymond; Morales, Miguel; Bonev, Stanimir
Lithium at ambient conditions is the simplest alkali metal and exhibits textbook nearly-free electron behavior. As the density is increased, however, significant core/valence overlap leads to surprisingly complex chemistry. We have systematically investigated the phase diagram of lithium at pressures ranging between two and six million atmospheres. Through a combination of density functional theory based path-integral and classical molecular dynamics simulations, we have investigated the impact of both nuclear quantum effects and anharmonicity on the melting line and solid phase boundaries. We also investigate how the inclusion of nuclear quantum effects and approximations in the treatment of electronic exchange-correlation impact the robustness of previous predictions of tetrahedral clustering in dense liquid Li. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.
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Cluster-inspired Superionic Conductors
NASA Astrophysics Data System (ADS)
Fang, Hong; Jena, Puru
Superionic conductors with desirable properties hold the key to the development of next generation of rechargeable metal-ion batteries. In this study, we report a new family of superionic conductors composed by clusters based on the antiperovskite fast-ion conductors. The new lightweight conductor shows larger electrochemical stability window and favorable thermal and mechanical properties, while maintain a high Li+-ionconductivity at room temperature and a low activation energy. We reveal the conduction mechanism of the material by identifying the relation between the orientational symmetry of the cluster rotors and the potential surface felt by the lithium ion. We also find that the mixed phase of the new conductors show further enhanced conductivity.
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Cohen, Anna S; Kaube, Holger
2004-06-01
This review describes rare headaches that can occur at night or during sleep, with a focus on cluster headaches, paroxysmal hemicrania, short-lasting unilateral neuralgiform headache attacks with conjunctival injection and tearing, hypnic headache and exploding head syndrome. It is known that cluster headaches and hypnic headache are associated with rapid eye movement sleep, as illustrated by recent polysomnographic studies. Functional imaging studies have documented hypothalamic activation that is likely to be of relevance to circadian rhythms. These headache syndromes have been shown to respond to melatonin and lithium therapy, both of which have an indirect impact on the sleep-wake cycle. There is growing evidence that cluster headache and hypnic headache are chronobiological disorders.
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Wobbled electronic properties of lithium clusters: Deterministic approach through first principles
NASA Astrophysics Data System (ADS)
Kushwaha, Anoop Kumar; Nayak, Saroj Kumar
2018-03-01
The innate tendency to form dendritic growth promoted through cluster formation leading to the failure of a Li-ion battery system have drawn significant attention of the researchers towards the effective destabilization of the cluster growth through selective implementation of electrolytic media such as acetonitrile (MeCN). In the present work, using first principles density functional theory and continuum dielectric model, we have investigated the origin of oscillatory nature of binding energy per atom of Lin (n ≤ 8) under the influence of MeCN. In the gas phase, we found that static mean polarizability is strongly correlated with binding energy and shows oscillatory nature with cluster size due to the open shell of Lin cluster. However, in acetonitrile medium, the binding energy has been correlated with electrostatic Lin -MeCN interaction and it has been found that both of them possess wobbled behavior characterized by the cluster size.
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[Met5]Enkephalin content in brain regions of rats treated with lithium.
Gillin, J C; Hong, J S; Yang, H Y; Costa, E
1978-01-01
In rats, chronic treatment with lithium elicits a dose-dependent increase in the [Met5]enkephalin content of nucleus caudatus and globus pallidus. A single injection of lithium fails to change the striatal [Met5]enkephalin content. The increase in [Met5]enkephalin caused by chronic lithium is proportional to the serum lithium level. The extent of the increase in striatal [Met5]enkephalin content levels off at a value of about 250% that of untreated rats. This increase has a time latency of 2--3 days and reaches a plateau at 5 days. The increase that was present at 5 days was no longer evident if the treatment was continued for 2 weeks. Lithium also increases striatal [Leu5]enkephalin content by an extent equal to the increase of [Met 5]enkephalin. Based on the characteristics of the lithium-induced increase in [Met6]enkephalin content, it is proposed that lithium may reduce the rate of release of [Met5]enkephalin from the small enkephalinergic neurons that are intrinsic to the striatum; this action may be related to a change in the regulation of striatal neurons. PMID:275866
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Recycling Reduction and Density Control with Lithium Injection in DIII-D
NASA Astrophysics Data System (ADS)
Jackson, G. L.; Chrobak, C. P.; Maingi, R.; Mansfield, D.; Roquemore, A.; McLean, A. G.
2013-10-01
Lithium conditioning has been effective in tokamaks for reducing recycling and providing density control, particularly in NSTX and EAST. Since DIII-D has not injected lithium in more than a decade (and then in only very small amounts, 0.4 g total), a unique opportunity exists to extend this experience and examine the physical effects of lithium in a well-conditioned lithium-free machine. A lithium dropper, developed by PPPL, has recently been installed on DIII-D. By injecting 0.09 g of lithium we have observed reductions in recycling, density, and ELM frequency from the first discharge with significant lithium injection. Although modeling of individual 40 μ m diam. Li granules predicts virtually no penetration beyond the separatrix in auxiliary heated H-mode pulses, LiIII emission was detected in the core plasma, albeit with no increase in radiated power. On subsequent discharges without injection no core Li was detected, and only LiI emission was observed in the SOL and divertor regions. We will present the effects of Li on recycling, ELM frequency, and the edge pedestal, and discuss the long-term observations of lithium on plasma facing components. Work supported by the US Department of Energy under DE-FC02-04ER54698, DE-AC02-09CH11466, and DE-AC52-07NA27344.
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An anion-immobilized composite electrolyte for dendrite-free lithium metal anodes
Zhao, Chen-Zi; Zhang, Xue-Qiang; Cheng, Xin-Bing; Zhang, Rui; Xu, Rui; Chen, Peng-Yu; Peng, Hong-Jie; Huang, Jia-Qi
2017-01-01
Lithium metal is strongly regarded as a promising electrode material in next-generation rechargeable batteries due to its extremely high theoretical specific capacity and lowest reduction potential. However, the safety issue and short lifespan induced by uncontrolled dendrite growth have hindered the practical applications of lithium metal anodes. Hence, we propose a flexible anion-immobilized ceramic–polymer composite electrolyte to inhibit lithium dendrites and construct safe batteries. Anions in the composite electrolyte are tethered by a polymer matrix and ceramic fillers, inducing a uniform distribution of space charges and lithium ions that contributes to a dendrite-free lithium deposition. The dissociation of anions and lithium ions also helps to reduce the polymer crystallinity, rendering stable and fast transportation of lithium ions. Ceramic fillers in the electrolyte extend the electrochemically stable window to as wide as 5.5 V and provide a barrier to short circuiting for realizing safe batteries at elevated temperature. The anion-immobilized electrolyte can be applied in all–solid-state batteries and exhibits a small polarization of 15 mV. Cooperated with LiFePO4 and LiNi0.5Co0.2Mn0.3O2 cathodes, the all–solid-state lithium metal batteries render excellent specific capacities of above 150 mAh⋅g−1 and well withstand mechanical bending. These results reveal a promising opportunity for safe and flexible next-generation lithium metal batteries. PMID:28973945
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Ferensztajn-Rochowiak, Ewa; Kucharska-Mazur, Jolanta; Samochowiec, Jerzy; Ratajczak, Mariusz Z; Michalak, Michal; Rybakowski, Janusz K
2017-02-01
To investigate the effect of long-term lithium treatment on very small embryonic-like stem cells (VSELs), haematopoietic stem cells (HSCs), mesenchymal stem cells (MSCs) and endothelial progenitor cells (EPCs) circulating in peripheral blood (PB), in bipolar disorder (BD). The study included 15 BD patients (aged 55 ± 6 years) treated with lithium for 8-40 years (mean 16 years), 15 BD patients (aged 53 ± 7 years) with duration of illness >10 years, who had never received lithium, and 15 healthy controls (aged 50 ± 5 years). The VSELs, HSCs, MSCs and EPCs were measured by flow cytometric analysis. In BD subjects not taking lithium the number of CD34 + VSELs was significantly higher, and MSCs and EPCs numerically higher, than in control subjects and the number of CD34 + VSELs correlated with the duration of illness. In lithium-treated patients these values were similar to controls and the number of CD34 + VSELs correlated negatively with the duration of lithium treatment and serum lithium concentration. Long-term treatment with lithium may suppress the activation of regenerative processes by reducing the number of VSELs circulating in PB. These cells, in BD patients not treated with lithium, may provide a new potential biological marker of the illness and its clinical progress.
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NASA Technical Reports Server (NTRS)
Reid, Concha M.; Manzo, Michelle A.; Logan, Michael J.
2004-01-01
Unmanned aerial vehicles (UAVs) are currently under development for NASA missions, earth sciences, aeronautics, the military, and commercial applications. The design of an all electric power and propulsion system for small UAVs was the focus of a detailed study. Currently, many of these small vehicles are powered by primary (nonrechargeable) lithium-based batteries. While this type of battery is capable of satisfying some of the mission needs, a secondary (rechargeable) battery power supply system that can provide the same functionality as the current system at the same or lower system mass and volume is desired. A study of commercially available secondary battery cell technologies that could provide the desired performance characteristics was performed. Due to the strict mass limitations and wide operating temperature requirements of small UAVs, the only viable cell chemistries were determined to be lithium-ion liquid electrolyte systems and lithium-ion gel polymer electrolyte systems. Two lithium-ion gel polymer cell designs were selected as candidates and were tested using potential load profiles for UAV applications. Because lithium primary batteries have a higher specific energy and energy density, for the same mass and volume allocation, the secondary batteries resulted in shorter flight times than the primary batteries typically provide. When the batteries were operated at lower ambient temperatures (0 to -20 C), flight times were even further reduced. Despite the reduced flight times demonstrated, for certain UAV applications, the secondary batteries operated within the acceptable range of flight times at room temperature and above. The results of this testing indicate that a secondary battery power supply system can provide some benefits over the primary battery power supply system. A UAV can be operated for hundreds of flights using a secondary battery power supply system that provides the combined benefits of rechargeability and an inherently safer chemistry.
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Xu, Feng; Wu, Lijun; Meng, Qingping; Kaltak, Merzuk; Huang, Jianping; Durham, Jessica L; Fernandez-Serra, Marivi; Sun, Litao; Marschilok, Amy C; Takeuchi, Esther S; Takeuchi, Kenneth J; Hybertsen, Mark S; Zhu, Yimei
2017-05-24
Multiple lithium-ion transport pathways and local phase changes upon lithiation in silver hollandite are revealed via in situ microscopy including electron diffraction, imaging and spectroscopy, coupled with density functional theory and phase field calculations. We report unexpected inter-nanorod lithium-ion transport, where the reaction fronts and kinetics are maintained within the neighbouring nanorod. Notably, this is the first time-resolved visualization of lithium-ion transport within and between individual nanorods, where the impact of oxygen deficiencies is delineated. Initially, fast lithium-ion transport is observed along the long axis with small net volume change, resulting in two lithiated silver hollandite phases distinguishable by orthorhombic distortion. Subsequently, a slower reaction front is observed, with formation of polyphase lithiated silver hollandite and face-centred-cubic silver metal with substantial volume expansion. These results indicate lithium-ion transport is not confined within a single nanorod and may provide a paradigm shift for one-dimensional tunnelled materials, particularly towards achieving high-rate capability.
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Xu, Feng; Wu, Lijun; Meng, Qingping; ...
2017-05-24
Multiple lithium-ion transport pathways and local phase changes upon lithiation in silver hollandite are revealed via in situ microscopy including electron diffraction, imaging and spectroscopy, coupled with density functional theory and phase field calculations. Here, we report unexpected inter-nanorod lithium-ion transport, where the reaction fronts and kinetics are maintained within the neighbouring nanorod. Notably, this is the first time-resolved visualization of lithium-ion transport within and between individual nanorods, where the impact of oxygen deficiencies is delineated. Initially, fast lithium-ion transport is observed along the long axis with small net volume change, resulting in two lithiated silver hollandite phases distinguishable bymore » orthorhombic distortion. As a result, a slower reaction front is observed, with formation of polyphase lithiated silver hollandite and face-centred-cubic silver metal with substantial volume expansion. Our results indicate lithium-ion transport is not confined within a single nanorod and may provide a paradigm shift for one-dimensional tunnelled materials, particularly towards achieving high-rate capability.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Xu, Feng; Wu, Lijun; Meng, Qingping
Multiple lithium-ion transport pathways and local phase changes upon lithiation in silver hollandite are revealed via in situ microscopy including electron diffraction, imaging and spectroscopy, coupled with density functional theory and phase field calculations. Here, we report unexpected inter-nanorod lithium-ion transport, where the reaction fronts and kinetics are maintained within the neighbouring nanorod. Notably, this is the first time-resolved visualization of lithium-ion transport within and between individual nanorods, where the impact of oxygen deficiencies is delineated. Initially, fast lithium-ion transport is observed along the long axis with small net volume change, resulting in two lithiated silver hollandite phases distinguishable bymore » orthorhombic distortion. As a result, a slower reaction front is observed, with formation of polyphase lithiated silver hollandite and face-centred-cubic silver metal with substantial volume expansion. Our results indicate lithium-ion transport is not confined within a single nanorod and may provide a paradigm shift for one-dimensional tunnelled materials, particularly towards achieving high-rate capability.« less
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Bond, P A; Brooks, B A; Judd, A
1975-01-01
1 The tissue solubilizer Soluene-100 provides an efficient and easy means of preparing small amounts of rat tissue for cation analysis. 2 Administration of lithium ions to rats for two days to 42 days by the addition of lithium chloride to the diet at a concentration of 30 mmol/kg dry weight results in (a) the uniform distribution of lithium throughout the brain at a concentration comparable to that found in plasma; (b) decrease in the brain sodium concentration: (c) a decrease in brain magnesium concentration and an increase in plasma magnesium concentration; (d)no change in brain water content. 3 The inclusion of LiCl in the diet at a concentration of 30 mmol/kg dry food gives consistent and predictable plasma and brain levels of lithium in the rat without the occurrence of serious side effects over periods of up to 42 days. PMID:1148484
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Cau Dit Coumes, Céline, E-mail: celine.cau-dit-coumes@cea.fr; Dhoury, Mélanie; Champenois, Jean-Baptiste
This work investigates the influence of lithium ions on the hydration at 25 °C of two calcium sulfoaluminate (CSA) cements comprising 0 or 10% gypsum. Small concentrations of lithium salts (LiOH, LiNO{sub 3}) accelerate the early hydration of both CSA cements either in paste or in diluted and stirred suspension. The effect of the lithium cation is much stronger than its counter-ion. Hydration is accelerated by an increase in the lithium concentration up to 30 μmol Li/g of the used CSA cement (with a high ye'elimite content), and then levels off. The postulated mechanism relies on a fast precipitation ofmore » amorphous Li-containing Al(OH){sub 3}, which acts as seeds for accelerating the precipitation of amorphous Al(OH){sub 3} that speeds up the whole hydration process. This process seems to be closely related to the one involved in the acceleration of the hydration of calcium aluminate cement by lithium ions.« less
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Cycle life testing of lithium-ion batteries for small satellite LEO space missions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Mayer, S.T.; Feikert, J.H.; Kaschmitter, J.L.
1993-08-16
In 1990, Sony corporation announced their intention to manufacture a rechargeable lithium ion battery, based on the intercalation of lithium ions into a carbonaceous anode. The cells were first introduced for portable telephone use in June, 1991. (1) A 3.6V average cell voltage (4.1-2.75V range); (2) Excellent cycle life (1200 @ 100% DOD); (3) Good capacity retention (70% after 6 months); (4) Wide temperature range performance ({minus}20 to +60{degrees}C); (5) Excellent Discharge rate (82% capacity at 30 min. discharge rate); (6) Excellent Charge rate (100% Charge in <3 hrs); and (7) High energy density (264 W*hr/1 and 120 Whr/kg formore » ``D`` size cell. These specifications show significant promise for application of these batteries in low earth orbit (LEO) small satellites, particularly when compared to existing NiH{sub 2} and NiCd technology. The very high energy density and specific energy will reduce power system volume and weight. The wide temperature range enables simpler thermal design, particularly for new, small, high power satellites. The materials used in the lithium ion batteries are relatively inexpensive and benign, so that we expect costs to come down substantially in the future. The specified cycle life at 100% DOD is also 50% longer than most NiCds, so low DOD (depth of discharge) performance could be substantial. This study was undertaken to: (a) assess the feasibility for using lithium ion cells on small satellite LEO missions and (b) verify the claims of the manufacturer. This was accomplished by performing a detailed autopsy and various depth of discharge and rate tests on the cells. Of special interest was the cycle life performance of these cell at various depths of discharge DOD`s, to get an initial measure of the reduction in capacity fade with cycle conditions. Low DOD`s are used to extend the life of all batteries used in a space application.« less
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Schmid, T E; Friedland, W; Greubel, C; Girst, S; Reindl, J; Siebenwirth, C; Ilicic, K; Schmid, E; Multhoff, G; Schmitt, E; Kundrát, P; Dollinger, G
2015-11-01
In conventional experiments on biological effects of radiation types of diverse quality, micrometer-scale double-strand break (DSB) clustering is inherently interlinked with clustering of energy deposition events on nanometer scale relevant for DSB induction. Due to this limitation, the role of the micrometer and nanometer scales in diverse biological endpoints cannot be fully separated. To address this issue, hybrid human-hamster AL cells have been irradiated with 45MeV (60keV/μm) lithium ions or 20MeV (2.6keV/μm) protons quasi-homogeneously distributed or focused to 0.5×1μm(2) spots on regular matrix patterns (point distances up to 10.6×10.6μm), with pre-defined particle numbers per spot to provide the same mean dose of 1.7Gy. The yields of dicentrics and their distribution among cells have been scored. In parallel, track-structure based simulations of DSB induction and chromosome aberration formation with PARTRAC have been performed. The results show that the sub-micrometer beam focusing does not enhance DSB yields, but significantly affects the DSB distribution within the nucleus and increases the chance to form DSB pairs in close proximity, which may lead to increased yields of chromosome aberrations. Indeed, the experiments show that focusing 20 lithium ions or 451 protons per spot on a 10.6μm grid induces two or three times more dicentrics, respectively, than a quasi-homogenous irradiation. The simulations reproduce the data in part, but in part suggest more complex behavior such as saturation or overkill not seen in the experiments. The direct experimental demonstration that sub-micrometer clustering of DSB plays a critical role in the induction of dicentrics improves the knowledge on the mechanisms by which these lethal lesions arise, and indicates how the assumptions of the biophysical model could be improved. It also provides a better understanding of the increased biological effectiveness of high-LET radiation. Copyright © 2015 Elsevier B.V. All rights reserved.
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NASA Astrophysics Data System (ADS)
Fujii, R.; Imahori, Y.; Nakakmura, M.; Takada, M.; Kamada, S.; Hamano, T.; Hoshi, M.; Sato, H.; Itami, J.; Abe, Y.; Fuse, M.
2012-12-01
The neutron source for Boron Neutron Capture Therapy (BNCT) is in the transition stage from nuclear reactor to accelerator based neutron source. Generation of low energy neutron can be achieved by 7Li (p, n) 7Be reaction using accelerator based neutron source. Development of small-scale and safe neutron source is within reach. The melting point of lithium that is used for the target is low, and durability is questioned for an extended use at a high current proton beam. In order to test its durability, we have irradiated lithium with proton beam at the same level as the actual current density, and found no deterioration after 3 hours of continuous irradiation. As a result, it is suggested that lithium target can withstand proton irradiation at high current, confirming suitability as accelerator based neutron source for BNCT.
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A safe lithium mimetic for bipolar disorder
Singh, Nisha; Halliday, Amy C.; Thomas, Justyn M.; Kuznetsova, Olga; Baldwin, Rhiannon; Woon, Esther C. Y.; Aley, Parvinder K.; Antoniadou, Ivi; Sharp, Trevor; Vasudevan, Sridhar R.; Churchill, Grant C.
2012-01-01
Lithium is the most effective mood stabilizer for the treatment of bipolar disorder, but it is toxic at only twice the therapeutic dosage and has many undesirable side effects. It is likely that a small molecule could be found with lithium-like efficacy but without toxicity through target-based drug discovery; however, lithium’s therapeutic target remains equivocal. Inositol monophosphatase is a possible target but no bioavailable inhibitors exist. Here we report that the antioxidant ebselen inhibits inositol monophosphatase and induces lithium-like effects on mouse behaviour, which are reversed with inositol, consistent with a mechanism involving inhibition of inositol recycling. Ebselen is part of the National Institutes of Health Clinical Collection, a chemical library of bioavailable drugs considered clinically safe but without proven use. Therefore, ebselen represents a lithium mimetic with the potential both to validate inositol monophosphatase inhibition as a treatment for bipolar disorder and to serve as a treatment itself. PMID:23299882
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Liang, Zheng; Lin, Dingchang; Zhao, Jie; Lu, Zhenda; Liu, Yayuan; Liu, Chong; Lu, Yingying; Wang, Haotian; Yan, Kai; Tao, Xinyong; Cui, Yi
2016-01-01
Lithium metal-based battery is considered one of the best energy storage systems due to its high theoretical capacity and lowest anode potential of all. However, dendritic growth and virtually relative infinity volume change during long-term cycling often lead to severe safety hazards and catastrophic failure. Here, a stable lithium–scaffold composite electrode is developed by lithium melt infusion into a 3D porous carbon matrix with “lithiophilic” coating. Lithium is uniformly entrapped on the matrix surface and in the 3D structure. The resulting composite electrode possesses a high conductive surface area and excellent structural stability upon galvanostatic cycling. We showed stable cycling of this composite electrode with small Li plating/stripping overpotential (<90 mV) at a high current density of 3 mA/cm2 over 80 cycles. PMID:26929378
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Somers, Garrett; Pinsonneault, Marc H., E-mail: somers@astronomy.ohio-state.edu, E-mail: pinsono@astronomy.ohio-state.edu
2014-07-20
We investigate lithium depletion in standard stellar models (SSMs) and main sequence (MS) open clusters, and explore the origin of the Li dispersion in young, cool stars of equal mass, age, and composition. We first demonstrate that SSMs accurately predict the Li abundances of solar analogs at the zero-age main sequence (ZAMS) within theoretical uncertainties. We then measure the rate of MS Li depletion by removing the [Fe/H]-dependent ZAMS Li pattern from three well-studied clusters, and comparing the detrended data. MS depletion is found to be mass-dependent, in the sense of more depletion at low mass. A dispersion in Limore » abundance at fixed T{sub eff} is nearly universal, and sets in by ∼200 Myr. We discuss mass and age dispersion trends, and the pattern is mixed. We argue that metallicity impacts the ZAMS Li pattern, in agreement with theoretical expectations but contrary to the findings of some previous studies, and suggest Li as a test of cluster metallicity. Finally, we argue that a radius dispersion in stars of fixed mass and age, during the epoch of pre-MS Li destruction, is responsible for the spread in Li abundances and the correlation between rotation and Li in young cool stars, most well known in the Pleiades. We calculate stellar models, inflated to match observed radius anomalies in magnetically active systems, and the resulting range of Li abundances reproduces the observed patterns of young clusters. We discuss ramifications for pre-MS evolutionary tracks and age measurements of young clusters, and suggest an observational test.« less
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Development of Thin-Film Battery Powered Transdermal Medical Devices
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bates, J.B.; Sein, T.
1999-07-06
Research carried out at ORNL has led to the development of solid state thin-film rechargeable lithium and lithium-ion batteries. These unique devices can be fabricated in a variety of shapes and to any required size, large or small, on virtually any type of substrate. Because they have high energies per unit of volume and mass and because they are rechargeable, thin-film lithium batteries have potentially many applications as small power supplies in consumer and special electronic products. Initially, the objective of this project was to develop thin-film battery powered products. Initially, the objective of this project was to develop thin-filmmore » battery powered transdermal electrodes for recording electrocardiograms and electroencephalograms. These ''active'' electrode would eliminate the effect of interference and improve the reliability in diagnosing heart or brain malfunctions. Work in the second phase of this project was directed at the development of thin-film battery powered implantable defibrillators.« less
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Fuel cell powered small unmanned aerial systems (UASs) for extended endurance flights
NASA Astrophysics Data System (ADS)
Chu, Deryn; Jiang, R.; Dunbar, Z.; Grew, Kyle; McClure, J.
2015-05-01
Small unmanned aerial systems (UASs) have been used for military applications and have additional potential for commercial applications [1-4]. For the military, these systems provide valuable intelligence, surveillance, reconnaissance and target acquisition (ISRTA) capabilities for units at the infantry, battalion, and company levels. The small UASs are light-weight, manportable, can be hand-launched, and are capable of carrying payloads. Currently, most small UASs are powered by lithium-ion or lithium polymer batteries; however, the flight endurance is usually limited less than two hours and requires frequent battery replacement. Long endurance small UAS flights have been demonstrated through the implementation of a fuel cell system. For instance, a propane fueled solid oxide fuel cell (SOFC) stack has been used to power a small UAS and shown to extend mission flight time. The research and development efforts presented here not only apply to small UASs, but also provide merit to the viability of extending mission operations for other unmanned systems applications.
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Kemp, David E.; Gao, Keming; Ganocy, Stephen J.; Rapport, Daniel J.; Elhaj, Omar; Bilali, Sarah; Conroy, Carla; Findling, Robert L.; Calabrese, Joseph R.
2011-01-01
Objective To assess whether combination treatment with lithium and divalproex is more effective than lithium monotherapy in prolonging the time to mood episode recurrence in patients with rapid-cycling bipolar disorder (RCBD) and comorbid substance abuse and/or dependence. Method A 6-month, double-blind, parallel group comparison was carried out in recently manic/hypomanic/mixed patients who had demonstrated a persistent bimodal response to combined treatment with lithium and divalproex. Subjects were randomly assigned to remain on combination treatment or to discontinue divalproex and remain on lithium monotherapy. Results Of 149 patients enrolled into the open-label acute stabilization phase, 79% discontinued prematurely (poor adherence: 42%; nonresponse: 25%; intolerable side effects: 10%). Of 31 patients (21%) randomly assigned to double-blind maintenance treatment, 55% relapsed (24% into depression and 76% into a manic/hypomanic/mixed episode), 26% completed the study, and 19% were poorly adherent or exited prematurely. The median time to recurrence of a new mood episode was 15.9 weeks for patients receiving lithium monotherapy and 17.8 weeks for patients receiving the combination of lithium and divalproex (p=NS). The rate of relapse into a mood episode for those receiving lithium monotherapy or the combination of lithium and divalproex was 56% and 53%, respectively. The rate of depressive relapse in both arms was 13%, while the rate of relapse into a manic, hypomanic, or mixed episode was 44% for lithium monotherapy and 40% for the combination of lithium and divalproex. Conclusion A small subgroup of patients in this study stabilized after six months of treatment with lithium plus divalproex. Of those who did, the addition of divalproex to lithium conferred no additional prophylactic benefit over lithium alone. Although depression is regarded as the hallmark of RCBD in general, these data suggest that recurrent episodes of mania tend to be more common in presentations accompanied by comorbid substance use. PMID:19192457
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Enhanced endothelial cell senescence by lithium-induced matrix metalloproteinase-1 expression.
Struewing, Ian T; Durham, Samuel N; Barnett, Corey D; Mao, Catherine D
2009-06-26
Endothelial cell (EC) senescence and dysfunction occurring after chronic injury and inflammation are highly associated with the development and progression of cardiovascular diseases. However, the factors involved in the establishment of EC senescence remain poorly understood. We have previously shown that lithium, an inhibitor of glycogen synthase kinase (GSK)-3beta and activator of the Wnt/beta-catenin signaling pathway, induces an EC senescent-like phenotype. Herein, we show that lithium induces a rapid and pronounced up-regulation of the matrix metalloproteinase (MMP)-1, an inflammation and senescent cell marker, at the mRNA and protein levels, whereas the induction of two other senescent cell markers is either weak (interleukin-8) or delayed (plasminogen activator inhibitor-1). Lithium effect on MMP-1 expression is also specific among other MMPs and not mediated by GSK3beta inhibition. Lithium affects MMP-1 expression mainly at the transcriptional level but neither the AP1/Ets regulatory sites nor the redox sensitive (-1607/2G) site in MMP-1 promoter are involved in lithium-dependent MMP-1 regulation. However, down-regulation of p53, a target of lithium in EC, dampens both basal and lithium-induced MMP-1 expression, which further links MMP-1 up-regulation with the establishment of cell senescence. Although increased MMP-1 levels are usually associated with angiogenesis in enabled proliferative EC, the exogenous addition of activated MMP-1 on lithium- arrested EC increases the number of EC positive for the senescent-associated-beta-galactosidase marker. Conversely, down-regulation of MMP-1 expression by small interfering RNAs blunts the lithium-dependent increase in senescent-associated-beta-galactosidase positive cells. Altogether our data indicate that lithium-induced MMP-1 may participate in the reinforcement of EC senescence and reveal a novel mechanism for lithium-induced tissue remodeling.
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Influence of lithium cations on prolyl peptide bonds.
Kunz, Claudia; Jahreis, Günther; Günther, Robert; Berger, Stefan; Fischer, Gunter; Hofmann, Hans-Jörg
2012-06-01
The influence of lithium cations on the cis/trans isomerization of prolyl peptide bonds was investigated in a quantitative manner in trifluoroethanol (TFE) and acetonitrile, employing NMR techniques. The focus was on various environmental and structural aspects, such as lithium cation and water concentrations, the type of the partner amino acid in the prolyl peptide bond, and the peptide sequence length. Comparison of the thermodynamic parameters of the isomerization in LiCl/TFE and TFE shows a lithium cation concentration dependence of the cis/trans ratio, which saturates at cation concentrations >200 mM. A pronounced increase in the cis isomer content in the presence of lithium cations occurs with the exception of peptides with Gly-Pro and Asp-Pro moieties. The cation effect appears already at the dipeptide level. The salt concentration can considerably be reduced in solvents with a lower number of nucleophilic centers like acetonitrile. The lithium cation effect decreases with small amounts of water and disappears at a water concentration of about 5%. The isomerization kinetics under the influence of lithium cations suggests a weak cation interaction with the carbonyl oxygen of the peptide bond. Copyright © 2012 European Peptide Society and John Wiley & Sons, Ltd.
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Carbon Materials Embedded with Metal Nanoparticles as Anode in Lithium-Ion Batteries
NASA Technical Reports Server (NTRS)
Hung, Ching-cheh
2002-01-01
Carbon materials containing metal nanoparticles that can form an alloy with lithium were tested for their capacity and cycle life to store and release lithium electrochemically. Metal nanoparticles may provide the additional lithium storage capacity as well as additional channels to conduct lithium in carbon. The cycle life of this carbon-metal composite can be long because the solid-electrolyte interface (SEI) on the carbon surface may protect both lithium and the metal particles in the carbon interior. In addition, the voids in the carbon interior may accommodate the nanoparticle's volume change, and such volume change may not cause much internal stress due to small sizes of the nanoparticles. This concept of improving carbon's performance to store and release lithium was demonstrated using experimental cells of C(Pd)/0.5M Lil-50/50 (vol.%) EC and DMC/Li, where C(Pd) was graphitized carbon fibers containing palladium nanoparticles, EC was ethylene carbonate, and DMC was dimethyl carbonate. However, such improvement was not observed if the Pd nanoparticles are replaced by aluminum, possibly because the aluminum nanoparticles were oxidized in air during storage, resulting in an inert oxide of aluminum. Further studies are needed to use this concept for practical applications.
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Transfer reactions induced by lithium ions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ogloblin, A.A.
The review deals with nuclear reactions induced by /sup 6/Li and /sup 7/ Li io ns having energies between 10 and 30 MeV. Due to the cluster structure of / sup 6/Li (/sup 6/Li= alpha +d) and /sup 7/Li (/sup 7/Li= alpha +t) and the low bindi ng energy of these nuclei, one of the clustcr is directly transferred in (/ sup 6/Li, d), (/sup 7/Li, t) (/sup 6/Li alpha ) and (/sup 7/Li, alpha ) reactions, i.e., the alpha p article, the deuteron, or the triton is directly transferred. Particular attention is paid to the (/sup 6/Li, d) andmore » (/sup 7/Li, t) reactions, in which the cluster-transfe r mechanism (alpha-particle transfer) appear in ita purest fomn. These reactions can be used to study the alpha- particle or quartet states of light nuclei, which are difficult or impossible to excite in any other way. The present state of the theory of multinucleon transfcr reactions is considered and the application of the theory to thc analysis of reactions induced by lithium atoms is discussed. (auth)« less
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Smart darting diffusion Monte Carlo: Applications to lithium ion-Stockmayer clusters
NASA Astrophysics Data System (ADS)
Christensen, H. M.; Jake, L. C.; Curotto, E.
2016-05-01
In a recent investigation [K. Roberts et al., J. Chem. Phys. 136, 074104 (2012)], we have shown that, for a sufficiently complex potential, the Diffusion Monte Carlo (DMC) random walk can become quasiergodic, and we have introduced smart darting-like moves to improve the sampling. In this article, we systematically characterize the bias that smart darting moves introduce in the estimate of the ground state energy of a bosonic system. We then test a simple approach to eliminate completely such bias from the results. The approach is applied for the determination of the ground state of lithium ion-n-dipoles clusters in the n = 8-20 range. For these, the smart darting diffusion Monte Carlo simulations find the same ground state energy and mixed-distribution as the traditional approach for n < 14. In larger systems we find that while the ground state energies agree quantitatively with or without smart darting moves, the mixed-distributions can be significantly different. Some evidence is offered to conclude that introducing smart darting-like moves in traditional DMC simulations may produce a more reliable ground state mixed-distribution.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Lin, Qisheng
2014-11-14
Zinc clusters are not common for binary intermetallics with relatively low zinc content, but this work shows that zinc clustering can be triggered by lithiation, as exemplified by Ca ~30Li 3+xZn 60-x, P6/mmm, Z = 1, which can be directly converted from CaZn 2. Two end members of the solid solution (x = 0.44 and 1.38) were established and structurally characterized by single-crystal X-ray diffraction analyses: Ca 30Li 3.44(6)Zn59.56(6), a = 15.4651(9) Å, c = 9.3898(3) Å; Ca 30.45(2)Li 4.38(6)Zn 58.62(6), a = 15.524(3) Å, c = 9.413(2) Å. The structures of Ca ~30Li 3+xZn 60-x feature a condensed anionicmore » network of Zn3 triangles, lithium-centered Zn12 icosahedra, and arachno-(Zn,Li)18 tubular clusters that are surrounded respectively by Ca 14, Ca 20, and Ca 30 polyhedra. These polyhedra share faces and form a clathrate-like cationic framework. The specific occupation of lithium in the structure is consistent with theoretical “coloring” analyses. Analysis by the linear muffin-tin orbital (LMTO) method within the atomic sphere approximation reveals that Ca ~30Li 3+xZn 60-x is a metallic, Zintl-like phase with an open-shell electronic structure. The contribution of Ca–Zn polar covalent interactions is about 41%.« less
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Study of methods to increase cluster/dislocation loop densities in electrodes
NASA Astrophysics Data System (ADS)
Yang, Xiaoling; Miley, George H.
2009-03-01
Recent research has developed a technique for imbedding ultra-high density deuterium ``clusters'' (50 to 100 atoms per cluster) in various metals such as Palladium (Pd), Beryllium (Be) and Lithium (Li). It was found the thermally dehydrogenated PdHx retained the clusters and exhibited up to 12 percent lower resistance compared to the virginal Pd samplesootnotetextA. G. Lipson, et al. Phys. Solid State. 39 (1997) 1891. SQUID measurements showed that in Pd these condensed matter clusters approach metallic conditions, exhibiting superconducting propertiesootnotetextA. Lipson, et al. Phys. Rev. B 72, 212507 (2005ootnotetextA. G. Lipson, et al. Phys. Lett. A 339, (2005) 414-423. If the fabrication methods under study are successful, a large packing fraction of nuclear reactive clusters can be developed in the electrodes by electrolyte or high pressure gas loading. This will provide a much higher low-energy-nuclear- reaction (LENR) rate than achieved with earlier electrodeootnotetextCastano, C.H., et al. Proc. ICCF-9, Beijing, China 19-24 May, 2002..
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Qassem, M; Hickey, M; Kyriacou, P A
2016-08-01
Lithium preparations are considered the most reliable form of mood stabilizing medication for patients with Bipolar disorder. Nevertheless, lithium is a toxic element and its therapeutic range is extremely narrow, with levels of 0.61.0 mEq considered normal, whereas levels above 1.5 mEq are toxic. Thus unfortunately, many patients reach toxic levels that lead to unnecessary complications. It is believed that personal monitoring of blood lithium levels would benefit patients taking lithium medication. Therefore, our aim is to develop a personal lithium blood level analyzer for patients with bipolar mood disorder, and we report here our initial results of a colorimetric-based method used to test drop-volumes of human plasma that had been spiked with lithium. It was possible to validate results with standard flame photometry readings. Applying the Partial Least Squares (PLS) method on preprocessed spectra, therapeutic concentrations of lithium in a single drop can be predicted in a rapid manner, and furthermore, the calibration results were used to select effective wavelengths which were employed as inputs in Multiple Linear Regression (MLR). The simplified algorithms of this would prove useful when developing a personal lithium analyzer. Overall, both calibration methods gave high correlation and small error outputs with a R2= 0.99036 and RMSEC = 0.03778, and R2= 0.994148 and RMSEC= 0.0294404, for PLS and MLR methods, respectively. The results show that the spectrophotometric determination of blood lithium levels can be extended beyond laboratory applications and indicate the capability of this testing principle to be employed in a personal monitoring device. Future work will now focus on the technical development of a miniaturized system for measurement of lithium levels in blood with an acceptable level of accuracy and sensitivity.
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Lithium-ion rechargeable batteries
NASA Astrophysics Data System (ADS)
Megahed, Sid; Scrosati, Bruno
The large availability of insertion electrodes capable to exchange substantial quantities of lithium ions with relatively fast kinetics, has promoted the development of various types of rechargeable lithium batteries having different design, size, capacity, power and energy capabilities. All these lithium batteries offer a series of considerable specific advantages, such as high energy density and relatively low cost. However, their widespread utilization is still influenced by the high reactivity of the metal which, from one side assures the high energetic content, from the other induces safety hazards and limited cycleability. Attempts to overcome this shortcoming have resulted in the development of batteries where the lithium metal is most commonly replaced by a carbon electrode. Penalties in energy density in respect to the lithium systems and counterbalanced by an expected safer and longer cycle life from the carbon systems. Although a very recent innovation, the rocking-chair idea has already found enthusiastic support in many research laboratories which are presently involved in its investigation and development. As a result of this, small size, lithium rockingchair batteries or, as otherwise named 'lithium-ion batteries', are currently under development in Japan, USA and Europe. In this review paper we describe the properties of the anode, cathode and electrolyte materials which presently seem to be the most promising for the development of these batteries, and we will attempt to evaluate the impact that the rockingchair concept may ultimately have on the progress of rechargeable lithium battery technology. We will also summarize the status of practical rocking-chair batteries for various emerging applications.
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Park, Hyeokjun; Lim, Hee-Dae; Lim, Hyung-Kyu; Seong, Won Mo; Moon, Sehwan; Ko, Youngmin; Lee, Byungju; Bae, Youngjoon; Kim, Hyungjun; Kang, Kisuk
2017-01-01
Shedding new light on conventional batteries sometimes inspires a chemistry adoptable for rechargeable batteries. Recently, the primary lithium-sulfur dioxide battery, which offers a high energy density and long shelf-life, is successfully renewed as a promising rechargeable system exhibiting small polarization and good reversibility. Here, we demonstrate for the first time that reversible operation of the lithium-sulfur dioxide battery is also possible by exploiting conventional carbonate-based electrolytes. Theoretical and experimental studies reveal that the sulfur dioxide electrochemistry is highly stable in carbonate-based electrolytes, enabling the reversible formation of lithium dithionite. The use of the carbonate-based electrolyte leads to a remarkable enhancement of power and reversibility; furthermore, the optimized lithium-sulfur dioxide battery with catalysts achieves outstanding cycle stability for over 450 cycles with 0.2 V polarization. This study highlights the potential promise of lithium-sulfur dioxide chemistry along with the viability of conventional carbonate-based electrolytes in metal-gas rechargeable systems. PMID:28492225
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Liu, Fang -Chao; Shadike, Zulipiya; Wang, Xiao -Fang; ...
2016-06-16
A novel small-molecule compound of lithium iodine and 3-hydroxypropionitrile (HPN) has been successfully synthesized. Our combined experimental and theoretical studies indicated that LiIHPN is a Li-ion conductor, which is utterly different from the I–-anion conductor of LiI(HPN) 2 reported previously. Solid-state lithium–air batteries based on LiIHPN as the electrolyte exhibit a reversible discharge capacity of more than 2100 mAh g –1 with a cyclic performance over 10 cycles. Lastly, our findings provide a new way to design solid-state electrolytes toward high-performance lithium–air batteries.
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Zhao, Hui; Wei, Yang; Qiao, Ruimin; Zhu, Chenhui; Zheng, Ziyan; Ling, Min; Jia, Zhe; Bai, Ying; Fu, Yanbao; Lei, Jinglei; Song, Xiangyun; Battaglia, Vincent S; Yang, Wanli; Messersmith, Phillip B; Liu, Gao
2015-12-09
High-tap-density silicon nanomaterials are highly desirable as anodes for lithium ion batteries, due to their small surface area and minimum first-cycle loss. However, this material poses formidable challenges to polymeric binder design. Binders adhere on to the small surface area to sustain the drastic volume changes during cycling; also the low porosities and small pore size resulting from this material are detrimental to lithium ion transport. This study introduces a new binder, poly(1-pyrenemethyl methacrylate-co-methacrylic acid) (PPyMAA), for a high-tap-density nanosilicon electrode cycled in a stable manner with a first cycle efficiency of 82%-a value that is further improved to 87% when combined with graphite material. Incorporating the MAA acid functionalities does not change the lowest unoccupied molecular orbital (LUMO) features or lower the adhesion performance of the PPy homopolymer. Our single-molecule force microscopy measurement of PPyMAA reveals similar adhesion strength between polymer binder and anode surface when compared with conventional polymer such as homopolyacrylic acid (PAA), while being electronically conductive. The combined conductivity and adhesion afforded by the MAA and pyrene copolymer results in good cycling performance for the high-tap-density Si electrode.
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2011-12-01
the designed parameterization scheme and adaptive observer. A cylindri- cal battery thermal model in Eq. (1) with parameters of an A123 32157 LiFePO4 ...Morcrette, M. and Delacourt, C. (2010) Thermal modeling of a cylindrical LiFePO4 /graphite lithium-ion battery. Journal of Power Sources. 195, 2961
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VizieR Online Data Catalog: The Seven Sisters DANCe. II. Pleiades (Barrado+, 2016)
NASA Astrophysics Data System (ADS)
Barrado, D.; Bouy, H.; Bouvier, J.; Moraux, E.; Sarro, L. M.; Bertin, E.; Cuillandre, J. C.; Stauffer, J. R.; Lillo-Box, J.; Pollock, A.
2016-08-01
Lithium equivalent widths (Table 1), Proper motions (Table 2), and general properties (Table 3) for bona fide members of the Pleiades clusters, based on the literature and the DANCe membership analysis (Bouy et al. 2013A&A...554A.101B, 2015, Cat. J/A+A/577/A148). (3 data files).
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NASA Astrophysics Data System (ADS)
Arbeiter, Frederik; Baluc, Nadine; Favuzza, Paolo; Gröschel, Friedrich; Heidinger, Roland; Ibarra, Angel; Knaster, Juan; Kanemura, Takuji; Kondo, Hiroo; Massaut, Vincent; Saverio Nitti, Francesco; Miccichè, Gioacchino; O'hira, Shigeru; Rapisarda, David; Sugimoto, Masayoshi; Wakai, Eiichi; Yokomine, Takehiko
2018-01-01
As part of the engineering validation and engineering design activities (EVEDA) phase for the international fusion materials irradiation facility IFMIF, major elements of a lithium target facility and the test facility were designed, prototyped and validated. For the lithium target facility, the EVEDA lithium test loop was built at JAEA and used to test the stability (waves and long term) of the lithium flow in the target, work out the startup procedures, and test lithium purification and analysis. It was confirmed by experiments in the Lifus 6 plant at ENEA that lithium corrosion on ferritic martensitic steels is acceptably low. Furthermore, complex remote handling procedures for the remote maintenance of the target in the test cell environment were successfully practiced. For the test facility, two variants of a high flux test module were prototyped and tested in helium loops, demonstrating their good capabilities of maintaining the material specimens at the desired temperature with a low temperature spread. Irradiation tests were performed for heated specimen capsules and irradiation instrumentation in the BR2 reactor at SCK-CEN. The small specimen test technique, essential for obtaining material test results with limited irradiation volume, was advanced by evaluating specimen shape and test technique influences.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Cuesta, A.J.; Bump, D.D.
1980-01-01
Lithium cells have become the primary power source for cardiac pacemakers due to their reliability and longevity at low current drain rates. A lithium-cupric sulfide cell was developed which makes maximum use of the shape of a pacemaker's battery compartment. The cell has a stable voltage throughout 90% of its lifetime. It then drops to a second stable voltage before depletion. The voltage drop creates a small decrease in pacemaker rate, which alerts the physician to replace the pacemaker. No loss of capacity due to self-discharge as been seen to date, and cells have proven to be safe under extrememore » conditions. 2 refs.« less
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Galvanostatic interruption of lithium insertion into magnetite: Evidence of surface layer formation
Nicholas W. Brady; Takeuchi, Esther S.; Knehr, K. W.; ...
2016-04-24
Magnetite is a known lithium intercalation material, and the loss of active, nanocrystalline magnetite can be inferred from the open-circuit potential relaxation. Specifically, for current interruption after relatively small amounts of lithium insertion, the potential first increases and then decreases, and the decrease is hypothesized to be due to a formation of a surface layer, which increases the solid-state lithium concentration in the remaining active material. Comparisons of simulation to experiment suggest that the reactions with the electrolyte result in the formation of a thin layer of electrochemically inactive material, which is best described by a nucleation and growth mechanism.more » Simulations are consistent with experimental results observed for 6, 8 and 32-nm crystals. As a result, simulations capture the experimental differences in lithiation behavior between the first and second cycles.« less
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NASA Astrophysics Data System (ADS)
Wei, Y. W.; Liu, G. T.; Xiong, S. N.; Cheng, J. Z.; Huang, Y. H.
2017-01-01
In the near future, electric vehicle is entirely possible to replace traditional cars due to its zero pollution, small power consumption and low noise. Lithium-ion battery, which owns lots of advantages such as lighter and larger capacity and longer life, has been widely equipped in different electric cars all over the world. One disadvantage of this energy storage device is state of charge (SOC) difference among these cells in each series branch. If equalization circuit is not allocated for series-connected batteries, its safety and lifetime are declined due to over-charge or over-discharge happened, unavoidably. In this paper, a novel modularized equalization circuit, based on DC-DC chopper, is proposed to supply zero loss in theory. The proposed circuit works as an equalizer when Lithium-ion battery pack is charging or discharging or standing idle. Theoretical analysis and control method have been finished, respectively. Simulation and small scale experiments are applied to verify its real effect.
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Lithium and GSK3-β Promoter Gene Variants Influence White Matter Microstructure in Bipolar Disorder
Benedetti, Francesco; Bollettini, Irene; Barberi, Ignazio; Radaelli, Daniele; Poletti, Sara; Locatelli, Clara; Pirovano, Adele; Lorenzi, Cristina; Falini, Andrea; Colombo, Cristina; Smeraldi, Enrico
2013-01-01
Lithium is the mainstay for the treatment of bipolar disorder (BD) and inhibits glycogen synthase kinase 3-β (GSK3-β). The less active GSK3-β promoter gene variants have been associated with less detrimental clinical features of BD. GSK3-β gene variants and lithium can influence brain gray matter structure in psychiatric conditions. Diffusion tensor imaging (DTI) measures of white matter (WM) integrity showed widespred disruption of WM structure in BD. In a sample of 70 patients affected by a major depressive episode in course of BD, we investigated the effect of ongoing long-term lithium treatment and GSK3-β promoter rs334558 polymorphism on WM microstructure, using DTI and tract-based spatial statistics with threshold-free cluster enhancement. We report that the less active GSK3-β rs334558*C gene-promoter variants, and the long-term administration of the GSK3-β inhibitor lithium, were associated with increases of DTI measures of axial diffusivity (AD) in several WM fiber tracts, including corpus callosum, forceps major, anterior and posterior cingulum bundle (bilaterally including its hippocampal part), left superior and inferior longitudinal fasciculus, left inferior fronto-occipital fasciculus, left posterior thalamic radiation, bilateral superior and posterior corona radiata, and bilateral corticospinal tract. AD reflects the integrity of axons and myelin sheaths. We suggest that GSK3-β inhibition and lithium could counteract the detrimental influences of BD on WM structure, with specific benefits resulting from effects on specific WM tracts contributing to the functional integrity of the brain and involving interhemispheric, limbic, and large frontal, parietal, and fronto-occipital connections. PMID:22990942
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Altinay, Murat; Karne, Harish; Anand, Amit
2018-01-01
This study, for the first time, investigated lithium monotherapy associated effects on amygdala- ventromedial prefrontal cortex (vMPFC) resting-state functional connectivity and correlation with clinical improvement in bipolar disorder (BP) METHODS: Thirty-six medication-free subjects - 24 BP (12 hypomanic BPM) and 12 depressed (BPD)) and 12 closely matched healthy controls (HC), were included. BP subjects were treated with lithium and scanned at baseline, after 2 weeks and 8 weeks. HC were scanned at same time points but were not treated. The effect of lithium was studied for the BP group as a whole using two way (group, time) ANOVA while regressing out effects of state. Next, correlation between changes in amygdala-vMPFC resting-state connectivity and clinical global impression (CGI) of severity and improvement scale scores for overall BP illness was calculated. An exploratory analysis was also conducted for the BPD and BPM subgroups separately. Group by time interaction revealed that lithium monotherapy in patients was associated with increase in amygdala-medial OFC connectivity after 8 weeks of treatment (p = 0.05 (cluster-wise corrected)) compared to repeat testing in healthy controls. Increased amygdala-vMPFC connectivity correlated with clinical improvement at week 2 and week 8 as measured with the CGI-I scale. The results pertain to open-label treatment and do not account for non-treatment related improvement effects. Only functional connectivity was measured which does not give information regarding one regions effect on the other. Lithium monotherapy in BP is associated with modulation of amygdala-vMPFC connectivity which correlates with state-independent global clinical improvement. Copyright © 2017. Published by Elsevier B.V.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Kumara, L. S. R., E-mail: KUMARA.Rosantha@nims.go.jp; Yang, Anli; Sakata, Osami, E-mail: SAKATA.Osami@nims.go.jp
2014-07-28
The core-level and valence-band electronic structures of Li{sub x}Ni{sub 1−x}O epitaxial thin films with x = 0, 0.27, and 0.48 were studied by hard X-ray photoelectron spectroscopy. A double peak structure, consisting of a main peak and a shoulder peak, and a satellite structure were observed in the Ni 2p{sub 3/2} core-level spectra. The intensity ratio of the shoulder to main peak in this double peak structure increased with increasing lithium content in Li{sub x}Ni{sub 1−x}O. This lithium doping dependence of the Ni 2p{sub 3/2} core-level spectra was investigated using an extended cluster model, which included the Zhang–Rice (ZR) doubletmore » bound states arising from a competition between O 2p – Ni 3d hybridization and the Ni on-site Coulomb interaction. The results indicated that the change in the intensity ratio in the main peak is because of a reduction in the ZR doublet bound states from lithium substitutions. This strongly suggests that holes compensating Li doping in Li{sub x}Ni{sub 1−x}O are of primarily ZR character.« less
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Propagation of a Chemical Reaction through Heterogeneous Lithium- Polytetrafluoroethylene Mixtures
1975-12-11
Condensed Phases ........... ............... 9 1.2.1 Lithium-Gas Surface Reactions. .......... 10 1.2.2 Composite Solid Propellant Combustion. . .. 13...f:- the o:cu:=ence _A a surface reaction was developed, but no analyti7al reaction zate model was presented- 1.2.2 Composite S’-lid Propellant...Combustion Composite solid propellants are plastic-like materials consisting of small oxidizer particles embedded in a fuel matrix. Ammonium perchlorate is
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Lithium in the prevention of suicide in mood disorders: updated systematic review and meta-analysis.
Cipriani, Andrea; Hawton, Keith; Stockton, Sarah; Geddes, John R
2013-06-27
To assess whether lithium has a specific preventive effect for suicide and self harm in people with unipolar and bipolar mood disorders. Systematic review and meta-analysis. Medline, Embase, CINAHL, PsycINFO, CENTRAL, web based clinical trial registries, major textbooks, authors of important papers and other experts in the discipline, and websites of pharmaceutical companies that manufacture lithium or the comparator drugs (up to January 2013). Randomised controlled trials comparing lithium with placebo or active drugs in long term treatment for mood disorders. Two reviewers assessed studies for inclusion and risk of bias and extracted data. The main outcomes were the number of people who completed suicide, engaged in deliberate self harm, and died from any cause. 48 randomised controlled trials (6674 participants, 15 comparisons) were included. Lithium was more effective than placebo in reducing the number of suicides (odds ratio 0.13, 95% confidence interval 0.03 to 0.66) and deaths from any cause (0.38, 0.15 to 0.95). No clear benefits were observed for lithium compared with placebo in preventing deliberate self harm (0.60, 0.27 to 1.32). In unipolar depression, lithium was associated with a reduced risk of suicide (0.36, 0.13 to 0.98) and also the number of total deaths (0.13, 0.02 to 0.76) compared with placebo. When lithium was compared with each active individual treatment a statistically significant difference was found only with carbamazepine for deliberate self harm. Lithium tended to be generally better than the other active comparators, with small statistical variation between the results. Lithium is an effective treatment for reducing the risk of suicide in people with mood disorders. Lithium may exert its antisuicidal effects by reducing relapse of mood disorder, but additional mechanisms should also be considered because there is some evidence that lithium decreases aggression and possibly impulsivity, which might be another mechanism mediating the antisuicidal effect.
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A detailed study of lithium in 107 CHEPS dwarf stars
NASA Astrophysics Data System (ADS)
Pavlenko, Ya. V.; Jenkins, J. S.; Ivanyuk, O. M.; Jones, H. R. A.; Kaminsky, B. M.; Lyubchik, Yu. P.; Yakovina, L. A.
2018-03-01
Context. We report results from lithium abundance determinations using high resolution spectral analysis of the 107 metal-rich stars from the Calan-Hertfordshire Extrasolar Planet Search programme. Aims: We aim to set out to understand the lithium distribution of the population of stars taken from this survey. Methods: The lithium abundance taking account of non-local thermodynamical equilibrium effects was determined from the fits to the Li I 6708 Å resonance doublet profiles in the observed spectra. Results: We find that a) fast rotators tend to have higher lithium abundances; b) log N(Li) is higher in more massive and hot stars; c) log N(Li) is higher in stars of lower log g; d) stars with the metallicities >0.25 dex do not show the lithium lines in their spectra; e) most of our planet hosts rotate slower; and f) a lower limit of lithium isotopic ratio is 7Li/6Li > 10 in the atmospheres of two stars with planets (SWP) and two non-SWP stars. Conclusions: Measurable lithium abundances were found in the atmospheres of 45 stars located at distances of 20-170 pc from the Sun, for the other 62 stars the upper limits of log N(Li) were computed. We found well defined dependences of lithium abundances on Teff, V sin i, and less pronounced for the log g. In case of V sin i we see two sequences of stars: with measurable lithium and with the upper limit of log N(Li). About 10% of our targets are known to host planets. Only two SWP have notable lithium abundances, so we found a lower proportion of stars with detectable Li among known planet hosts than among stars without planets. However, given the small sample size of our planet-host sample, our analysis does not show any statistically significant differences in the lithium abundance between SWP and stars without known planets.
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Chemical Passivation of Li(exp +)-Conducting Solid Electrolytes
NASA Technical Reports Server (NTRS)
West, William; Whitacre, Jay; Lim, James
2008-01-01
Plates of a solid electrolyte that exhibits high conductivity for positive lithium ions can now be passivated to prevent them from reacting with metallic lithium. Such passivation could enable the construction and operation of high-performance, long-life lithium-based rechargeable electrochemical cells containing metallic lithium anodes. The advantage of this approach, in comparison with a possible alternative approach utilizing lithium-ion graphitic anodes, is that metallic lithium anodes could afford significantly greater energy-storage densities. A major impediment to the development of such cells has been the fact that the available solid electrolytes having the requisite high Li(exp +)-ion conductivity are too highly chemically reactive with metallic lithium to be useful, while those solid electrolytes that do not react excessively with metallic lithium have conductivities too low to be useful. The present passivation method exploits the best features of both extremes of the solid-electrolyte spectrum. The basic idea is to coat a higher-conductivity, higher-reactivity solid electrolyte with a lower-conductivity, lower-reactivity solid electrolyte. One can then safely deposit metallic lithium in contact with the lower-reactivity solid electrolyte without incurring the undesired chemical reactions. The thickness of the lower-reactivity electrolyte must be great enough to afford the desired passivation but not so great as to contribute excessively to the electrical resistance of the cell. The feasibility of this method was demonstrated in experiments on plates of a commercial high-performance solid Li(exp +)- conducting electrolyte. Lithium phosphorous oxynitride (LiPON) was the solid electrolyte used for passivation. LiPON-coated solid-electrolyte plates were found to support electrochemical plating and stripping of Li metal. The electrical resistance contributed by the LiPON layers were found to be small relative to overall cell impedances.
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Single-ion conducting diblock terpolymers for lithium-ion batteries
NASA Astrophysics Data System (ADS)
Morris, Melody; Epps, Thomas H., III
Block polymer (BP) electrolytes provide an attractive route to overcome the competing constraints of high conductivity and mechanical/thermal stability in lithium-ion batteries through nanoscale self-assembly. For example, macromolecules can be engineered such that one domain conducts lithium ions and the other prevents lithium dendrite formation. Herein, we report on the behavior of a single-ion conducting BP electrolyte that was designed to facilitate the transport of lithium ions. These polymers differ from traditional salt-doped BP electrolytes, which require the addition of a lithium salt to bestow conductivity and typically suffer from substantial counterion motion that reduces efficiency. New single-ion BPs were synthesized, and the nanoscale morphologies were determined using small angle X-ray scattering and transmission electron microscopy. Electrolyte performance was measured using AC impedance spectroscopy and DC polarization, and the results were correlated to nanoscale morphology and ion content. Enhanced physical understanding of single-ion BPs was gained by connecting the ion mobility to the chemistry, chain structure, and ion content of the single-ion BP. These studies can be applied to other charged-neutral block polymers to elucidate the effects of ion content on self-assembly and macroscopic properties.
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Galactic fly-bys: New source of lithium production
NASA Astrophysics Data System (ADS)
Prodanović, Tijana; Bogdanović, Tamara; Urošević, Dejan
2013-05-01
Observations of low-metallicity halo stars have revealed a puzzling result: the abundance of Li7 in these stars is at least three times lower than their predicted primordial abundance. It is unclear whether the cause of this disagreement is a lack of understanding of lithium destruction mechanisms in stars or the non-standard physics behind the big bang nucleosynthesis (BBN). Uncertainties related to the destruction of lithium in stars can be circumvented if lithium abundance is measured in the “pristine” gas of the low metallicity systems. The first measurement in one such system, the small magellanic cloud (SMC), was found to be at the level of the pure expected primordial value, but is on the other hand, just barely consistent with the expected galactic abundance for the system at the SMC metallicity, where important lithium quantity was also produced in interactions of galactic cosmic rays and presents an addition to the already present primordial abundance. Because of the importance of the SMC lithium measurement for the resolution of the lithium problem, we here draw attention to the possibility of another post-BBN production channel of lithium, which could present an important addition to the observed SMC lithium abundance. Besides standard galactic cosmic rays, additional post-BBN production of lithium might come from cosmic rays accelerated in galaxy-galaxy interactions. This might be important for a system such is the SMC, which has experienced galaxy harassment in its history. Within a simplified but illustrative framework we demonstrate that large-scale tidal shocks from a few galactic fly-bys can possibly produce lithium in amounts comparable to those expected from the interactions of galactic cosmic-rays produced in supernovae over the entire history of a system. In case of the SMC, we find that only two such fly-bys could possibly account for as much lithium as the standard, galactic cosmic ray production channel. However, adding any a new mechanism for post-BBN production of lithium, like the one proposed here, would contribute to the observed SMC lithium abundance, causing this measurement to be more in tension with the primordial abundance predicted by the standard BBN.
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Lithium-rich very metal-poor stars discovered with LAMOST and Subaru
NASA Astrophysics Data System (ADS)
Aoki, Wako; Li, Haining; Matsuno, Tadafumi; Kumar, Yerra Bharat; Shi, Jianrong; Suda, Takuma; Zhao, Gang
2018-04-01
Lithium is a unique element that is produced in the Big Bang nucleosynthesis but is destroyed by nuclear reactions inside stars. As a result, almost constant lithium abundance is found in unevolved main-sequence metal-poor stars, although the value is systematically lower than that expected from the standard Big Bang nucleosynthesis models, whereas lithium abundances of red giants are more than one order of magnitudes lower than those of unevolved stars. There are, however, a small fraction of metal-poor stars that show extremely high lithium abundances, which is not explained by standard stellar evolution models. We have discovered 12 new very metal-poor stars that have enhancement of lithium by more than 10 times compared with typical metal-poor stars at similar evolutionary stages by the large-scale spectroscopic survey with LAMOST and the follow-up high-resolution spectroscopy with the Subaru Telescope. The sample shows a wide distribution of evolutionary stages from subgiants to red giants with the metallicity of -3.3 <[Fe/H]< -1.6. The chemical abundance ratios of other elements have been obtained by our spectroscopic study, and an estimate of the binary frequency by radial velocity monitoring is ongoing. The observational results provide new constraints on the scenarios to explain lithium-rich metal-poor stars, such as extra mixing during the evolution along the red giant branch, mass-transfer from a companion AGB star, and engulfment of planet-like objects. These explanations are very unlikely for at least some of lithium-rich objects in our sample, suggesting a new mechanism that enhances lithium during the low-mass star evolution.
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The Age Related Properties of Solar Type Stars
NASA Technical Reports Server (NTRS)
Soderblom, David
1999-01-01
The studies of lithium in solar-type stars in clusters of a wide range of ages has provided critical information on a tracer of convective processes, especially among very young stars. Our most recent work has been on a pre-main sequence cluster (NGC 2264) that took place after this grant expired, but was founded on it. The spread seen in Li in Zero-Age Main Sequence clusters like the Pleiades is huge and possibly related to rotation. No clear spread in seen in NGC 2264, so it does not have its origins in the conditions of formation but is instead a result of processes occurring during PMS evolution. Our observations of M67 were particularly interesting because this cluster is the same age as the Sun, i.e.,very old. Clear evidence was seen for a spread in Li there too, indicating that the spread seen in very young stars perpetuates itself into old age.
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B =5 Skyrmion as a two-cluster system
NASA Astrophysics Data System (ADS)
Gudnason, Sven Bjarke; Halcrow, Chris
2018-06-01
The classical B =5 Skyrmion can be approximated by a two-cluster system in which a B =1 Skyrmion is attached to a core B =4 Skyrmion. We quantize this system, allowing the B =1 to freely orbit the core. The configuration space is 11 dimensional but simplifies significantly after factoring out the overall spin and isospin degrees of freedom. We exactly solve the free quantum problem and then include an interaction potential between the Skyrmions numerically. The resulting energy spectrum is compared to the corresponding nuclei—the helium-5/lithium-5 isodoublet. We find approximate parity doubling not seen in the experimental data. In addition, we fail to obtain the correct ground-state spin. The framework laid out for this two-cluster system can readily be modified for other clusters and in particular for other B =4 n +1 nuclei, of which B =5 is the simplest example.
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A POM–organic framework anode for Li-ion battery
Yue, Yanfeng; Li, Yunchao; Bi, Zhonghe; ...
2015-10-12
Rechargeable Li-ion batteries (LIBs) are currently the dominant power source for portable electronic devices and electric vehicles, and for small-scale stationary energy storage. However, one bottleneck of the anode materials for LIBs is the poor cycling performance caused by the fact that the anodes cannot maintain their integrity over several charge–discharge cycles. In this work, we demonstrate an approach to improving the cycling performance of lithium-ion battery anodes by constructing an extended 3D network of flexible redox active polyoxometalate (POM) clusters with redox active organic linkers, herein described as POMOF. In addition, this architecture enables the accommodation of large volumemore » changes during cycling at relatively high current rates. For example, the POMOF anode exhibits a high reversible capacity of 540 mA h g –1 after 360 cycles at a current rate of 0.25C and a long cycle life at a current rate of 1.25C (>500 cycles).« less
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Li, Wangda; Kim, Un-Hyuck; Dolocan, Andrei; ...
2017-05-14
The formation of metallic lithium microstructures in the form of dendrites or mosses at the surface of anode electrodes (e.g., lithium metal, graphite, and silicon) leads to rapid capacity fade and poses grave safety risks in rechargeable lithium batteries. In this work, we present here a direct, relative quantitative analysis of lithium deposition on graphite anodes in pouch cells under normal operating conditions, paired with a model cathode material, the layered nickel-rich oxide LiNi 0.61Co 0.12Mn 0.27O 2, over the course of 3000 charge-discharge cycles. Secondary-ion mass spectrometry chemically dissects the solid-electrolyte interphase (SEI) on extensively cycled graphite with virtuallymore » atomic depth resolution and reveals substantial growth of Li-metal deposits. With the absence of apparent kinetic (e.g., fast charging) or stoichiometric restraints (e.g., overcharge) during cycling, we show lithium deposition on graphite is triggered by certain transition-metal ions (manganese in particular) dissolved from the cathode in a disrupted SEI. This insidious effect is found to initiate at a very early stage of cell operation (<200 cycles) and can be effectively inhibited by substituting a small amount of aluminum (~1 mol %) in the cathode, resulting in much reduced transition-metal dissolution and drastically improved cyclability. In conclusion, our results may also be applicable to studying the unstable electrodeposition of lithium on other substrates, including Li metal.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Li, Wangda; Kim, Un-Hyuck; Dolocan, Andrei
The formation of metallic lithium microstructures in the form of dendrites or mosses at the surface of anode electrodes (e.g., lithium metal, graphite, and silicon) leads to rapid capacity fade and poses grave safety risks in rechargeable lithium batteries. In this work, we present here a direct, relative quantitative analysis of lithium deposition on graphite anodes in pouch cells under normal operating conditions, paired with a model cathode material, the layered nickel-rich oxide LiNi 0.61Co 0.12Mn 0.27O 2, over the course of 3000 charge-discharge cycles. Secondary-ion mass spectrometry chemically dissects the solid-electrolyte interphase (SEI) on extensively cycled graphite with virtuallymore » atomic depth resolution and reveals substantial growth of Li-metal deposits. With the absence of apparent kinetic (e.g., fast charging) or stoichiometric restraints (e.g., overcharge) during cycling, we show lithium deposition on graphite is triggered by certain transition-metal ions (manganese in particular) dissolved from the cathode in a disrupted SEI. This insidious effect is found to initiate at a very early stage of cell operation (<200 cycles) and can be effectively inhibited by substituting a small amount of aluminum (~1 mol %) in the cathode, resulting in much reduced transition-metal dissolution and drastically improved cyclability. In conclusion, our results may also be applicable to studying the unstable electrodeposition of lithium on other substrates, including Li metal.« less
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NASA Astrophysics Data System (ADS)
Chen, Fangfang; Kerr, Robert; Forsyth, Maria
2018-05-01
Ionic liquid electrolytes with high alkali salt concentrations have displayed some excellent electrochemical properties, thus opening up the field for further improvements to liquid electrolytes for lithium or sodium batteries. Fundamental computational investigations into these high concentration systems are required in order to gain a better understanding of these systems, yet they remain lacking. Small phosphonium-based ionic liquids with high concentrations of alkali metal ions have recently shown many promising results in experimental studies, thereby prompting us to conduct further theoretical exploration of these materials. Here, we conducted a molecular dynamics simulation on four small phosphonium-based ionic liquids with 50 mol. % LiFSI salt, focusing on the effect of cation structure on local structuring and ion diffusional and rotational dynamics—which are closely related to the electrochemical properties of these materials.
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Analysis of the defect clusters in congruent lithium tantalate
NASA Astrophysics Data System (ADS)
Vyalikh, Anastasia; Zschornak, Matthias; Köhler, Thomas; Nentwich, Melanie; Weigel, Tina; Hanzig, Juliane; Zaripov, Ruslan; Vavilova, Evgenia; Gemming, Sibylle; Brendler, Erica; Meyer, Dirk C.
2018-01-01
A wide range of technological applications of lithium tantalate (LT) is closely related to the defect chemistry. In literature, several intrinsic defect models have been proposed. Here, using a combinational approach based on DFT and solid-state NMR, we demonstrate that distribution of electric field gradients (EFGs) can be employed as a fingerprint of a specific defect configuration. Analyzing the distribution of 7Li EFGs, the FT-IR and electron spin resonance (ESR) spectra, and the 7Li spin-lattice relaxation behavior, we have found that the congruent LT samples provided by two manufacturers show rather different defect concentrations and distributions although both were grown by the Czochralski method. After thermal treatment hydrogen out-diffusion and homogeneous distribution of other defects have been observed by ESR, NMR, and FT-IR. The defect structure in one of two congruent LT crystals after annealing has been identified and proved by defect formation energy considerations, whereas the more complex defect configuration, including the presence of extrinsic defects, has been suggested for the other LT sample. The approach of searching the EFG fingerprints from DFT calculations in NMR spectra can be applied for identifying the defect clusters in other complex oxides.
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Smart darting diffusion Monte Carlo: Applications to lithium ion-Stockmayer clusters
DOE Office of Scientific and Technical Information (OSTI.GOV)
Christensen, H. M.; Jake, L. C.; Curotto, E., E-mail: curotto@arcadia.edu
2016-05-07
In a recent investigation [K. Roberts et al., J. Chem. Phys. 136, 074104 (2012)], we have shown that, for a sufficiently complex potential, the Diffusion Monte Carlo (DMC) random walk can become quasiergodic, and we have introduced smart darting-like moves to improve the sampling. In this article, we systematically characterize the bias that smart darting moves introduce in the estimate of the ground state energy of a bosonic system. We then test a simple approach to eliminate completely such bias from the results. The approach is applied for the determination of the ground state of lithium ion-n–dipoles clusters in themore » n = 8–20 range. For these, the smart darting diffusion Monte Carlo simulations find the same ground state energy and mixed-distribution as the traditional approach for n < 14. In larger systems we find that while the ground state energies agree quantitatively with or without smart darting moves, the mixed-distributions can be significantly different. Some evidence is offered to conclude that introducing smart darting-like moves in traditional DMC simulations may produce a more reliable ground state mixed-distribution.« less
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Production of intensive negative lithium beam with caesium sputter-type ion source
NASA Astrophysics Data System (ADS)
Lobanov, Nikolai R.
2018-01-01
Compounds of lithium oxide, hydroxide and carbonate, mixed with silver, were prepared for use as a cathode in caesium-sputter ion source. The intention was to determine the procedure which would produce the highest intensity negative lithium beams over extended period and with maximum stability. The chemical composition and properties of the samples were analysed using mass-spectrometry, optical microscopy, Scanning Electron Microscopy (SEM), Energy Dispersive X-ray Analyses (EDX) and Raman spectroscopy. These analyses showed that the chemical transformations with components resulted from pressing, storage and bake out were qualitatively in agreement with expectations. Intensive negative lithium ion beams >1 μA were delivered using cathodes fabricated from materials with multicomponent chemical composition when the following conditions were met: (i) use of components with moderate enthalpy of formation; (ii) low moisture content at final stage of cathode production and (iii) small concentration of water molecules in hydrate phase in the cathode mixture.
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Efficiency of Moderated Neutron Lithium Glass Detectors Using Monte Carlo Techniques
NASA Astrophysics Data System (ADS)
James, Brian
2011-10-01
Due to national security concerns over the smuggling of special nuclear materials and the small supply of He-3 for use in neutron detectors, there is a great need for a new kind of neutron detector. Using Monte Carlo techniques I have been studying the use of lithium glass in varying configurations for neutron detectors. My research has included the effects of using a detector with two thin sheets of lithium at varying distances apart. I have also researched the effects of varying amounts of shielding a californium source with varying amounts of water. This is important since shielding would likely be used to make nuclear material more difficult to detect. The addition of one sheet of lithium-6 glass on the front surface of the detector significantly improves the efficiency for the detection of neutrons from a moderated fission source.
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Isolation and Versatile Derivatization of an Unsaturated Anionic Silicon Cluster (Siliconoid)
Willmes, Philipp; Leszczyńska, Kinga; Heider, Yannic; Abersfelder, Kai; Zimmer, Michael; Huch, Volker
2016-01-01
Abstract The characteristic features of bulk silicon surfaces are echoed in the related partially substituted—and thus unsaturated—neutral silicon clusters (siliconoids). The incorporation of siliconoids into more‐extended frameworks is promising owing to their unique electronic features, but further developments in this regard are limited by the notable absence of functionalized siliconoid derivatives until now. Herein we report the isolation and full characterization of the lithium salt of an anionic R5Si6‐siliconoid, thus providing the missing link between silicon‐based Zintl anions and siliconoid clusters. Proof‐of‐principle for the high potential of this species for the efficient transfer of the intact unsaturated R5Si6 moiety is demonstrated by clean reactions with representative electrophiles of Groups 13, 14, and 15. PMID:26800440
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2015-07-01
Reactive kVAR Kilo Watts kW Lithium Ion Li Ion Lithium-Titanate Oxide nLTO Natural gas NG Performance Objectives PO Photovoltaic PV Power ...cloud covered) periods. The demonstration features a large (relative to the overall system power requirements) photovoltaic solar array, whose inverter...microgrid with less expensive power storage instead of large scale energy storage and that the renewable energy with small-scale power storage can
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Lithium-rich Giants in Globular Clusters
NASA Astrophysics Data System (ADS)
Kirby, Evan N.; Guhathakurta, Puragra; Zhang, Andrew J.; Hong, Jerry; Guo, Michelle; Guo, Rachel; Cohen, Judith G.; Cunha, Katia
2016-03-01
Although red giants deplete lithium on their surfaces, some giants are Li-rich. Intermediate-mass asymptotic giant branch (AGB) stars can generate Li through the Cameron-Fowler conveyor, but the existence of Li-rich, low-mass red giant branch (RGB) stars is puzzling. Globular clusters are the best sites to examine this phenomenon because it is straightforward to determine membership in the cluster and to identify the evolutionary state of each star. In 72 hours of Keck/DEIMOS exposures in 25 clusters, we found four Li-rich RGB and two Li-rich AGB stars. There were 1696 RGB and 125 AGB stars with measurements or upper limits consistent with normal abundances of Li. Hence, the frequency of Li-richness in globular clusters is (0.2 ± 0.1)% for the RGB, (1.6 ± 1.1)% for the AGB, and (0.3 ± 0.1)% for all giants. Because the Li-rich RGB stars are on the lower RGB, Li self-generation mechanisms proposed to occur at the luminosity function bump or He core flash cannot explain these four lower RGB stars. We propose the following origin for Li enrichment: (1) All luminous giants experience a brief phase of Li enrichment at the He core flash. (2) All post-RGB stars with binary companions on the lower RGB will engage in mass transfer. This scenario predicts that 0.1% of lower RGB stars will appear Li-rich due to mass transfer from a recently Li-enhanced companion. This frequency is at the lower end of our confidence interval. The data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W. M. Keck Foundation.
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Enhanced Raman Scattering from NCM523 Cathodes Coated with Electrochemically Deposited Gold
DOE Office of Scientific and Technical Information (OSTI.GOV)
Tornheim, Adam; Maroni, Victor A.; He, Meinan
Materials with the general composition LiMO2, where M is a mix of nickel, cobalt, and manganese, have been studied extensively as cathodes for lithium-based electrochemical cells. Some compositions, like LiNi0.5Co0.2Mn0.3O2 (NCM523), have already found application in commercial lithium-ion batteries. Pre-test and post-test analyses of these types of cathodes have benefited greatly from the use of Raman spectroscopy. Specifically, Raman spectroscopy can be used to investigate the phonons of the LiMO2 lattice. This is particularly useful for studies of the LiMO2 after it has been formed into the type of polymer-bonded laminate from which typical battery cathodes are cut. One ofmore » the problems that occurs in such studies is that the scattering from the LiMO2 phase gets progressively weaker as the nickel content increases. NCM523 poses one example of this behavior owing to the fact that half of the transition metal content is nickel. In this study we show that the intensity of the Raman scattering from the NCM523 phonons can be significantly increased by electroplating clusters of sub-micron gold particles on NCM523-containing laminate structures. The gold appears to plate somewhat selectively on the NCM523 particles in randomly sized clusters. These clusters stimulate the Raman scattering from the NCM523 to varying extents that can reach nearly 100 times the scattering intensity from uncoated pristine laminates.« less
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Triboelectric Nanogenerator Using Lithium Niobate Thin Film
NASA Astrophysics Data System (ADS)
Geng, Juan; Zhang, Xinzheng; Kong, Yongfa; Xu, Jingjun
2017-06-01
We present a triboelectric nanogenerator (TENG) using a lithium niobate thin film, as one of the triboelectric pairs which was grown on a silicon substrate by laser molecule beam epitaxy (LMBE). The designed TENG has the advantages of simple structure, easy fabrication, small size (1.1*1.0*0.15 cm3). An open-circuit voltage of 136 V and a short-circuit current of 8.40 μA have been achieved. The maximum output power is 307.5μW under the load resistance of 10MΩ. This is the first time to use lithium niobate thin film as one of the friction pair, which may make it possible to expand the application of triboelectric nanogenerator to optical field.
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Enhanced lithium storage in Fe2O3-SnO2-C nanocomposite anode with a breathable structure
NASA Astrophysics Data System (ADS)
Rahman, Md Mokhlesur; Glushenkov, Alexey M.; Ramireddy, Thrinathreddy; Tao, Tao; Chen, Ying
2013-05-01
A novel nanocomposite architecture of a Fe2O3-SnO2-C anode, based on clusters of Fe2O3 and SnO2 nanoparticles dispersed along the conductive chains of Super P Li™ carbon black (Timcal Ltd.), is presented as a breathable structure in this paper for lithium-ion batteries. The synthesis of the nanocomposite is achieved by combining a molten salt precipitation process and a ball milling method for the first time. The crystalline structure, morphology, and electrochemical characterization of the synthesised product are investigated systematically. Electrochemical results demonstrate that the reversible capacity of the composite anode is 1110 mA h g-1 at a current rate of 158 mA g-1 with only 31% of initial irreversible capacity in the first cycle. A high reversible capacity of 502 mA h g-1 (higher than the theoretical capacity of graphite, ~372 mA h g-1) can be obtained at a high current rate of 3950 mA g-1. The electrochemical performance is compared favourably with those of Fe2O3-SnO2 and Fe2O3-SnO2-C composite anodes for lithium-ion batteries reported in the literature. This work reports a promising method for the design and preparation of nanocomposite electrodes for lithium-ion batteries.A novel nanocomposite architecture of a Fe2O3-SnO2-C anode, based on clusters of Fe2O3 and SnO2 nanoparticles dispersed along the conductive chains of Super P Li™ carbon black (Timcal Ltd.), is presented as a breathable structure in this paper for lithium-ion batteries. The synthesis of the nanocomposite is achieved by combining a molten salt precipitation process and a ball milling method for the first time. The crystalline structure, morphology, and electrochemical characterization of the synthesised product are investigated systematically. Electrochemical results demonstrate that the reversible capacity of the composite anode is 1110 mA h g-1 at a current rate of 158 mA g-1 with only 31% of initial irreversible capacity in the first cycle. A high reversible capacity of 502 mA h g-1 (higher than the theoretical capacity of graphite, ~372 mA h g-1) can be obtained at a high current rate of 3950 mA g-1. The electrochemical performance is compared favourably with those of Fe2O3-SnO2 and Fe2O3-SnO2-C composite anodes for lithium-ion batteries reported in the literature. This work reports a promising method for the design and preparation of nanocomposite electrodes for lithium-ion batteries. Electronic supplementary information (ESI) available: Electrochemical Impedance Spectroscopy (EIS). See DOI: 10.1039/c3nr00690e
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Nuclear quantum effects in water exchange around lithium and fluoride ions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wilkins, David M.; Manolopoulos, David E.; Dang, Liem X.
2015-02-14
We employ classical and ring polymer molecular dynamics simulations to study the effect of nuclear quantum fluctuations on the structure and the water exchange dynamics of aqueous solutions of lithium and fluoride ions. While we obtain reasonably good agreement with experimental data for solutions of lithium by augmenting the Coulombic interactions between the ion and the water molecules with a standard Lennard-Jones ion-oxygen potential, the same is not true for solutions of fluoride, for which we find that a potential with a softer repulsive wall gives much better agreement. A small degree of destabilization of the first hydration shell ismore » found in quantum simulations of both ions when compared with classical simulations, with the shell becoming less sharply defined and the mean residence time of the water molecules in the shell decreasing. In line with these modest differences, we find that the mechanisms of the exchange processes are unaffected by quantization, so a classical description of these reactions gives qualitatively correct and quantitatively reasonable results. We also find that the quantum effects in solutions of lithium are larger than in solutions of fluoride. This is partly due to the stronger interaction of lithium with water molecules, partly due to the lighter mass of lithium and partly due to competing quantum effects in the hydration of fluoride, which are absent in the hydration of lithium.« less
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Rechargeable Thin-film Lithium Batteries
DOE R&D Accomplishments Database
Bates, J. B.; Gruzalski, G. R.; Dudney, N. J.; Luck, C. F.; Yu, Xiaohua
1993-08-01
Rechargeable thin film batteries consisting of lithium metal anodes, an amorphous inorganic electrolyte, and cathodes of lithium intercalation compounds have recently been developed. The batteries, which are typically less than 6 {mu}m thick, can be fabricated to any specified size, large or small, onto a variety of substrates including ceramics, semiconductors, and plastics. The cells that have been investigated include Li TiS{sub 2}, Li V{sub 2}O{sub 5}, and Li Li{sub x}Mn{sub 2}O{sub 4}, with open circuit voltages at full charge of about 2.5, 3.6, and 4.2, respectively. The development of these batteries would not have been possible without the discovery of a new thin film lithium electrolyte, lithium phosphorus oxynitride, that is stable in contact with metallic lithium at these potentials. Deposited by rf magnetron sputtering of Li{sub 3}PO{sub 4} in N{sub 2}, this material has a typical composition of Li{sub 2.9}PO{sub 3.3}N{sub 0.46} and a conductivity at 25{degrees}C of 2 {mu}S/cm. The maximum practical current density obtained from the thin film cells is limited to about 100 {mu}A/cm{sup 2} due to a low diffusivity of Li{sup +} ions in the cathodes. In this work, the authors present a short review of their work on rechargeable thin film lithium batteries.
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Characterization of lithium coordination sites with magic-angle spinning NMR
NASA Astrophysics Data System (ADS)
Haimovich, A.; Goldbourt, A.
2015-05-01
Lithium, in the form of lithium carbonate, is one of the most common drugs for bipolar disorder. Lithium is also considered to have an effect on many other cellular processes hence it possesses additional therapeutic as well as side effects. In order to quantitatively characterize the binding mode of lithium, it is required to identify the interacting species and measure their distances from the metal center. Here we use magic-angle spinning (MAS) solid-state NMR to study the binding site of lithium in complex with glycine and water (LiGlyW). Such a compound is a good enzyme mimetic since lithium is four-coordinated to one water molecule and three carboxylic groups. Distance measurements to carbons are performed using a 2D transferred echo double resonance (TEDOR) MAS solid-state NMR experiment, and water binding is probed by heteronuclear high-resolution proton-lithium and proton-carbon correlation (wPMLG-HETCOR) experiments. Both HETCOR experiments separate the main complex from impurities and non-specifically bound lithium species, demonstrating the sensitivity of the method to probe the species in the binding site. Optimizations of the TEDOR pulse scheme in the case of a quadrupolar nucleus with a small quadrupole coupling constant show that it is most efficient when pulses are positioned on the spin-1/2 (carbon-13) nucleus. Since the intensity of the TEDOR signal is not normalized, careful data analysis that considers both intensity and dipolar oscillations has to be performed. Nevertheless we show that accurate distances can be extracted for both carbons of the bound glycine and that these distances are consistent with the X-ray data and with lithium in a tetrahedral environment. The lithium environment in the complex is very similar to the binding site in inositol monophosphatase, an enzyme associated with bipolar disorder and the putative target for lithium therapy. A 2D TEDOR experiment applied to the bacterial SuhB gene product of this enzyme was designed to probe direct correlations between lithium, the enzyme inhibitor, and the closest carboxyl carbons of the binding site. At this point, the chemical shift of the bound carboxyl groups in this 29 kDa enzyme could be determined.
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Overview of ENEA's Projects on lithium batteries
NASA Astrophysics Data System (ADS)
Alessandrini, F.; Conte, M.; Passerini, S.; Prosini, P. P.
The increasing need of high performance batteries in various small-scale and large-scale applications (portable electronics, notebooks, palmtops, cellular phones, electric vehicles, UPS, load levelling) in Italy is motivating the R&D efforts of various public and private organizations. Research of lithium batteries in Italy goes back to the beginning of the technological development of primary and secondary lithium systems with national know-how spread in various academic and public institutions with a few private stakeholders. In the field of lithium polymer batteries, ENEA has been dedicating significant efforts in almost two decades to promote and carry out basic R&D and pre-industrial development projects. In recent years, three major national projects have been performed and coordinated by ENEA in co-operation with some universities, governmental research organizations and industry. In these projects novel polymer electrolytes with ceramic additives, low cost manganese oxide-based composite cathodes, environmentally friendly process for polymer electrolyte, fabrication processes of components and cells have been investigated and developed in order to fulfill long-term needs of cost-effective and highly performant lithium polymer batteries.
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Zhao, Hui; Wei, Yang; Qiao, Ruimin; ...
2015-11-24
High-tap-density silicon nanomaterials are highly desirable as anodes for lithium ion batteries, due to their small surface area and minimum first-cycle loss. However, this material poses formidable challenges to polymeric binder design. Binders adhere on to the small surface area to sustain the drastic volume changes during cycling; also the low porosities and small pore size resulting from this material are detrimental to lithium ion transport. This study introduces a new binder, poly(1-pyrenemethyl methacrylate-co-methacrylic acid) (PPyMAA), for a high-tap-density nanosilicon electrode cycled in a stable manner with a first cycle efficiency of 82%-a value that is further improved to 87%more » when combined with graphite material. Incorporating the MAA acid functionalities does not change the lowest unoccupied molecular orbital (LUMO) features or lower the adhesion performance of the PPy homopolymer. Our single-molecule force microscopy measurement of PPyMAA reveals similar adhesion strength between polymer binder and anode surface when compared with conventional polymer such as homopolyacrylic acid (PAA), while being electronically conductive. Finally, the combined conductivity and adhesion afforded by the MAA and pyrene copolymer results in good cycling performance for the high-tap-density Si electrode.« less
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NASA Technical Reports Server (NTRS)
Jeevarajan, Judith
2011-01-01
The purpose of this innovation is to use microstrain gauges to monitor minute changes in temperature along with material properties of the metal cans and pouches used in the construction of lithium-ion cells. The sensitivity of the microstrain gauges to extremely small changes in temperatures internal to the cells makes them a valuable asset in controlling the hazards in lithium-ion cells. The test program on lithium-ion cells included various cell configurations, including the pouch type configurations. The thermal properties of microstrain gauges have been found to contribute significantly as safety monitors in lithium-ion cells that are designed even with hard metal cases. Although the metal cans do not undergo changes in material property, even under worst-case unsafe conditions, the small changes in thermal properties observed during charge and discharge of the cell provide an observable change in resistance of the strain gauge. Under abusive or unsafe conditions, the change in the resistance is large. This large change is observed as a significant change in slope, and this can be used to prevent cells from going into a thermal runaway condition. For flexible metal cans or pouch-type lithium-ion cells, combinations of changes in material properties along with thermal changes can be used as an indication for the initiation of an unsafe condition. Lithium-ion cells have a very high energy density, no memory effect, and almost 100-percent efficiency of charge and discharge. However, due to the presence of a flammable electrolyte, along with the very high energy density and the capability of releasing oxygen from the cathode, these cells can go into a hazardous condition of venting, fire, and thermal runaway. Commercial lithium-ion cells have current and voltage monitoring devices that are used to control the charge and discharge of the batteries. Some lithium-ion cells have internal protective devices, but when used in multi-cell configurations, these protective devices either do not protect or are themselves a hazard to the cell due to their limitations. These devices do not help in cases where the cells develop high impedance that suddenly causes them to go into a thermal runaway condition. Temperature monitoring typically helps with tracking the performance of a battery. But normal thermistors or thermal sensors do not provide the accuracy needed for this and cannot track a change in internal cell temperatures until it is too late to stop a thermal runaway.
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Lithium and suicide in mood disorders: Updated meta-review of the scientific literature.
Smith, Katharine A; Cipriani, Andrea
2017-11-01
Suicide and suicidal behaviour are increased in mood disorders, particularly bipolar disorders. Observational studies and small randomized controlled trials (RCTs) support the idea that taking lithium is associated with a reduction in these rates. This paper aims to review the best evidence for the effect of lithium on rates of suicide and self harm. We searched PubMed, PsycINFO, and the Cochrane Library systematically for systematic reviews and meta-analyses of RCTs of lithium and suicide and self harm published between January 1980 and June 2017. In the case of multiple publications on the same topic, only the most recent or most comprehensive review was considered. A large number of reviews were identified, but only 16 publications were systematic reviews. Of these, three systematic reviews of lithium and suicide rates and one of lithium and self harm confined only to RCTs were identified. Despite some methodological concerns and heterogeneity in terms of participants, diagnoses, comparators, durations, and phase of illness, the evidence to date is overwhelmingly in favour of lithium as an antisuicidal agent, even balanced against any potential disadvantages of its use in regular clinical practice. The anti-suicidal effects of lithium have been consistently reported over the past 40 years. The most robust evidence comes from RCTs, but these results are also discussed in the context of the difficulties in conducting high quality studies in this area, and the supporting evidence that observational and non-randomized studies can also provide. Given this evidence, however, the use of lithium is still underrepresented in clinical practice and should be incorporated more assertively into current guidelines. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.
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Rapid Solidification of a New Generation Aluminum-Lithium Alloy via Electrospark Deposition
NASA Astrophysics Data System (ADS)
Heard, David W.; Boselli, Julien; Gauvin, Raynald; Brochu, Mathieu
Electrospark deposition (ESD) is a rapid solidification processing technique capable of depositing a metal onto a conductive substrate. The short pulse duration and high pulse frequency, combined with the small amount of material transferred during each pulse, results in high cooling rates being realized, on the order of 105-106 C/sec. This study investigates the ability to induce solute trapping behavior, for a new generation aluminum-lithium alloy, AA2199, using ESD.
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In-situ vacuum deposition technique of lithium on neutron production target for BNCT
NASA Astrophysics Data System (ADS)
Ishiyama, S.; Baba, Y.; Fujii, R.; Nakamura, M.; Imahori, Y.
2012-10-01
For the purpose of avoiding the radiation blistering of the lithium target for neutron production in BNCT (Boron Neutron Capture Therapy) device, trilaminar Li target, of which palladium thin layer was inserted between cupper substrate and Li layer, was newly designed. In-situ vacuum deposition and electrolytic coating techniques were applied to validate the method of fabrication of the Li/Pd/Cu target, and the layered structures of the synthesized target were characterized. In-situ vacuum re-deposition technique was also established for repairing and maintenance for lithium target damaged. Following conclusions were derived; (1) Uniform lithium layers with the thickness from 1.6 nm to a few hundreds nanometer were formed on Pd/Cu multilayer surface by in situ vacuum deposition technique using metallic lithium as a source material. (2) Re-deposition of lithium layer on Li surface can be achieved by in situ vacuum deposition technique. (3) Small amount of water and carbonate was observed on the top surface of Li. But the thickness of the adsorbed layer was less than monolayer, which will not affect the quality of the Li target. (4) The formation of Pd-Li alloy layer was observed at the Pd and Li interface. The alloy layer would contribute to the stability of the Li layer.
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Lithium abundance in a sample of solar-like stars
NASA Astrophysics Data System (ADS)
López-Valdivia, R.; Hernández-Águila, J. B.; Bertone, E.; Chávez, M.; Cruz-Saenz de Miera, F.; Amazo-Gómez, E. M.
2015-08-01
We report on the determination of the lithium abundance [A(Li)] of 52 solar-like stars. For 41 objects the A(Li) here presented corresponds to the first measurement. We have measured the equivalent widths of the 6708 Å lithium feature in high-resolution spectroscopic images (R ˜ 80 000), obtained at the Observatorio Astrofísico Guillermo Haro (Sonora, Mexico), as part of the first scientific observations of the revitalized Lunar and Planetary Laboratory (LPL) Echelle Spectrograph, now known as the Cananea High-resolution Spectrograph (CanHiS). Lithium abundances were derived with the Fortran code MOOG, using as fundamental input a set of atmospheric parameters recently obtained by our group. With the help of an additional small sample with previous A(Li) determinations, we demonstrate that our lithium abundances are in agreement, to within uncertainties, with other works. Two target objects stand out from the rest of the sample. The star BD+47 3218 (Teff = 6050 ± 52 K, A(Li) = 1.86 ± 0.07 dex) lies inside the so-called lithium desert in the A(Li)-Teff plane. The other object, BD+28 4515, has an A(Li) = 3.05 ± 0.07 dex, which is the highest of our sample and compatible with the expected abundances of relatively young stars.
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In Situ Observation of Single-Phase Lithium Intercalation in Sub-25-nm Nanoparticles
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhong, Li; Liu, Yang; Han, Wei-Qiang
Although a non-equilibrium single-phase reaction, with the absence of nucleation and growth of a second phase, is believed to be a key factor for high-rate performance of lithium-ion batteries, it is thermodynamically unfavorable and usually proceeds in electrode materials with small particle sizes (tens of nanometers). Unfortunately, the phase evolutions inside such small particles are often shrouded by the macroscopic inhomogeneous reactions of electrodes containing millions of particles, leading to intensive debate over the size-dependent microscopic reaction mechanisms. Here, we provide a generally applicable methodology based on in-situ electron diffraction study on a multi-particle system to track the lithiation pathwaysmore » in individual nanoparticles, and unambiguously reveal that lithiation of anatase TiO 2, previously long believed to be biphasic, converts to a single-phase reaction when the particle size is below ~25 nm. Our results imply the prevalence of such a size-dependent transition in lithiation mechanism among intercalation compounds whose lithium miscibility gaps are associated with a prominent size effect, and therefore provide important guidelines for designing high-power electrodes, especially cathodes.« less
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In Situ Observation of Single-Phase Lithium Intercalation in Sub-25-nm Nanoparticles
Zhong, Li; Liu, Yang; Han, Wei-Qiang; ...
2017-05-05
Although a non-equilibrium single-phase reaction, with the absence of nucleation and growth of a second phase, is believed to be a key factor for high-rate performance of lithium-ion batteries, it is thermodynamically unfavorable and usually proceeds in electrode materials with small particle sizes (tens of nanometers). Unfortunately, the phase evolutions inside such small particles are often shrouded by the macroscopic inhomogeneous reactions of electrodes containing millions of particles, leading to intensive debate over the size-dependent microscopic reaction mechanisms. Here, we provide a generally applicable methodology based on in-situ electron diffraction study on a multi-particle system to track the lithiation pathwaysmore » in individual nanoparticles, and unambiguously reveal that lithiation of anatase TiO 2, previously long believed to be biphasic, converts to a single-phase reaction when the particle size is below ~25 nm. Our results imply the prevalence of such a size-dependent transition in lithiation mechanism among intercalation compounds whose lithium miscibility gaps are associated with a prominent size effect, and therefore provide important guidelines for designing high-power electrodes, especially cathodes.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Gu, Changdong, E-mail: cdgu@zju.edu.cn; Zhang, Heng; Wang, Xiuli
2013-10-15
Graphical abstract: - Highlights: • A facile and low-temperature method is developed for SnO{sub 2}/graphene composite. • Synthesis performed in a choline chloride-based ionic liquid. • The composite shows an enhanced cycling stability as anode for Li-ion batteries. • 4 nm SnO{sub 2} nanoparticles mono-dispersed on the surface of reduced graphene oxide. - Abstract: A facile and low-temperature method is developed for SnO{sub 2}/graphene composite which involves an ultrasonic-assistant oxidation–reduction reaction between Sn{sup 2+} and graphene oxide in a choline chloride–ethylene glycol based ionic liquid under ambient conditions. The reaction solution is non-corrosive and environmental-friendly. Moreover, the proposed technique doesmore » not require complicated infrastructures and heat treatment. The SnO{sub 2}/graphene composite consists of about 4 nm sized SnO{sub 2} nanoparticles with cassiterite structure mono-dispersed on the surface of reduced graphene oxide. As anode for lithium-ion batteries, the SnO{sub 2}/graphene composite shows a satisfying cycling stability (535 mAh g{sup −1} after 50 cycles @100 mA g{sup −1}), which is significantly prior to the bare 4 nm sized SnO{sub 2} nanocrsytals. The graphene sheets in the hybrid nanostructure could provide a segmentation effect to alleviate the volume expansion of the SnO{sub 2} and restrain the small and active Sn-based particles aggregating into larger and inactive clusters during cycling.« less
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Smart nickel oxide materials for the applications of energy efficiency and storage
NASA Astrophysics Data System (ADS)
Lin, Feng
The present dissertation studies nickel oxide-based materials for the application of electrochromic windows and lithium-air batteries. The materials were fabricated via radio frequency magnetron sputtering and subsequently post-treated with thermal evaporation and ozone exposure. The strategies to improve electrochromic performance of nickel oxide materials were investigated including compositional control, morphology tuning, modification of electronic structure and interface engineering (i.e., Li2O 2, graphene). The electrochemical properties of the resulting materials were characterized in lithium ion electrolytes. Extremely high performing nickel oxide-based electrochromic materials were obtained in terms of optical modulation, switching kinetics, bleached-state transparency and durability, which promise the implementation of these materials for practical smart windows. With the aid of advanced synchrotron X-ray absorption spectroscopy, it is reported for the first time that the electrochromic effect in multicomponent nickel oxide-based materials arises from the reversible formation of hole states in the NiO6 cluster accompanying with the reversible formation of Li2O2. The reversible formation of Li2O 2 was successfully leveraged with the study of electro-catalysts and cathode materials for lithium-air batteries. The reversibility of Li 2O2 was thoroughly investigated using soft X-ray absorption spectroscopy and theoretical simulation, which substantiates the promise of using electrochromic films as electro-catalysts and/or cathode materials in lithium-air batteries.
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Segmental Interactions between Polymers and Small Molecules in Batteries and Biofuel Purification
NASA Astrophysics Data System (ADS)
Balsara, Nitash
2015-03-01
Polymers such as poly(ethylene oxide) (PEO) and poly(dimethyl siloxane) (PDMS) have the potential to play an important role in the emerging clean energy landscape. Mixtures of PEO and lithium salts are the most widely studied non-flammable electrolyte for rechargeable lithium batteries. PDMS membranes are ideally suited for purifying bioethanol and biobutanol from fermentation broths. The ability of PEO and PDMS to function in these applications depends on segmental interactions between the polymeric host and small molecule guests. One experimental approach for studying these interactions is X-ray absorption spectroscopy (XAS). Models for interpreting XAS spectra of amorphous mixtures and charged species such as salts must quantify the effect of segmental interactions on the electronic structure of the atoms of interest (e.g. sulfur). This combination of experiment and theory is used to determine the species formed in during charging and discharging lithium-sulfur batteries; the theoretical specific energy of lithium-sulfur batteries is a factor of four larger than that of current lithium-ion batteries. Selective transport of alcohols in PDMS-containing membranes is controlled by the size, shape, and connectivity of sub-nanometer cavities or free volume that form and disappear spontaneously as the chain segments undergo Brownian motion. We demonstrate that self-assembly of PDMS-containing block copolymers can be used to control segmental relaxation, which, in turn, affects free volume. Positron annihilation was used to determine the size distribution of free volume cavities in the PDMS-containing block copolymers. The effect of this artificial free volume on selective permeation of alcohols formed by fermentation of sugars derived from lignocellulosic biomass is studied. Molecular dynamics simulations are needed to understand the relationship between self-assembly, free volume, and transport in block copolymers.
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The Pulsed Fission-Fusion (PUFF) Concept for Deep Space Exploration and Terrestrial Power Generation
NASA Technical Reports Server (NTRS)
Adams, Robert; Cassibry, Jason; Schillo, Kevin
2017-01-01
This team is exploring a modified Z-pinch geometry as a propulsion system, imploding a liner of liquid lithium onto a pellet containing both fission and fusion fuel. The plasma resulting from the fission and fusion burn expands against a magnetic nozzle, for propulsion, or a magnetic confinement system, for terrestrial power generation. There is considerable synergy in the concept; the lithium acts as a temporary virtual cathode, and adds reaction mass for propulsion. Further, the lithium acts as a radiation shield against generated neutrons and gamma rays. Finally, the density profile of the column can be tailored using the lithium sheath. Recent theoretical and experimental developments (e.g. tailored density profile in the fuel injection, shear stabilization, and magnetic shear stabilization) have had great success in mitigating instabilities that have plagued previous fusion efforts. This paper will review the work in evaluating the pellet sizes and z-pinch conditions for optimal PuFF propulsion. Trades of pellet size and composition with z-pinch power levels and conditions for the tamper and lithium implosion are evaluated. Current models, both theoretical and computational, show that a z-pinch can ignite a small (1 cm radius) fission-fusion target with significant yield. Comparison is made between pure fission and boosted fission targets. Performance is shown for crewed spacecraft for high speed Mars round trip missions and near interstellar robotic missions. The PuFF concept also offers a solution for terrestrial power production. PuFF can, with recycling of the effluent, achieve near 100% burnup of fission fuel, providing a very attractive power source with minimal waste. The small size of PuFF relative to today's plants enables a more distributed power network and less exposure to natural or man-made disruptions.
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One-Pot Synthesis of Lithium-Rich Cathode Material with Hierarchical Morphology.
Luo, Kun; Roberts, Matthew R; Hao, Rong; Guerrini, Niccoló; Liberti, Emanuela; Allen, Christopher S; Kirkland, Angus I; Bruce, Peter G
2016-12-14
Lithium-rich transition metal oxides, Li 1+x TM 1-x O 2 (TM, transition metal), have attracted much attention as potential candidate cathode materials for next generation lithium ion batteries because their high theoretical capacity. Here we present the synthesis of Li[Li 0.2 Ni 0.2 Mn 0.6 ]O 2 using a facile one-pot resorcinol-formaldehyde method. Structural characterization indicates that the material adopts a hierarchical porous morphology consisting of uniformly distributed small pores and disordered large pore structures. The material exhibits excellent electrochemical cycling stability and a good retention of capacity at high rates. The material has been shown to be both advantageous in terms of gravimetric and volumetric capacities over state of the art commercial cathode materials.
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NASA Technical Reports Server (NTRS)
Hung, Ching-Cheh
2001-01-01
In a lithium-ion battery, the lithium-storage capacity of the carbon anode is greatly affected by a surface layer formed during the first half cycle of lithium insertion and release into and out of the carbon anode. The formation of this solid-electrolyte interface, in turn, is affected by the chemistry of the carbon surface. A study at the NASA Glenn Research Center examined the cause-and-effect relations. Information obtained from this research could contribute in designing a high-capacity lithium-ion battery and, therefore, small, powerful spacecraft. In one test, three types of surfaces were examined: (1) a surface with low oxygen content (1.5 at.%) and a high concentration of active sites, (2) a surface with 4.5 at.% -OH or -OC type oxygen, and (3) a surface with 6.5 at.% O=C type oxygen. The samples were made from the same precursor and had similar bulk properties. They were tested under a constant current of 10 mA/g in half cells that used lithium metal as the counter electrode and 0.5 M lithium iodide in 50/50 (vol%) ethylene carbonate and dimethyl carbonate as the electrolyte. For the first cycle of the electrochemical test, the graph describes the voltage of the carbon anode versus the lithium metal as a function of the capacity (amount of lithium insertion or release). From these data, it can be observed that the surface with low oxygen and a high concentration of active sites could result in a high irreversible capacity. Such a high irreversible capacity could be prevented if the active sites were allowed to react with oxygen in air, producing -OH or -OC type oxygen. The O=C type oxygen, on the other hand, could greatly reduce the capacity of lithium intercalation and, therefore, needs to be avoided during battery fabrication.
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Guzman, David Sanchez-Migallon; Mitchell, Mark A; Gaunt, Stephen D; Beaufrère, Hugues; Tully, Thomas N
2008-06-01
Blood samples were collected from 20 Hispaniolan Amazon parrots (Amazona ventralis) and were divided into tubes that contained dipotassium ethylenediaminetetraacetic acid (K2EDTA) and lithium heparin. Complete blood cell counts were determined in each sample within 2 hours of collection. The level of agreement in results was moderate for plasma protein, packed cell volume (PCV), and leukocyte, monocyte, and lymphocyte counts between the anticoagulants. Plasma protein and PCV values were significantly lower in samples with lithium heparin than in those with K2EDTA, whereas lymphocyte numbers were significantly higher in lithium heparin samples than in K2EDTA samples. The level of agreement was good for the other cell types (heterophils, eosinophils, and basophils) when comparing the different anticoagulants. The poor level of agreement between anticoagulants with the increase in thrombocyte clumping in lithium heparin samples indicates that the use of lithium heparin as anticoagulant may affect thrombocyte count. No negative effects on morphology and staining of blood cells were apparent in smears from heparin samples compared with K2EDTA samples. Within the different values compared, the limits of agreement are small enough to be confident that lithium heparin can be used for routine CBC counts in a clinical setting. The use of the same anticoagulant should be recommended to follow trends within the same patient, especially when considering plasma protein concentration, PCV, and lymphocyte count.
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Cao, Kangzhe; Jiao, Lifang; Xu, Hang; Liu, Huiqiao; Kang, Hongyan; Zhao, Yan; Liu, Yongchang; Wang, Yijing; Yuan, Huatang
2016-03-01
A mini-hollow polyhedron Mn 2 O 3 is used as the anode material for lithium-ion batteries. Benefiting from the small interior cavity and intrinsic nanosize effect, a stable reconstructed hierarchical nanostructure is formed. It has excellent energy storage properties, exhibiting a capacity of 760 mAh g -1 at 2 A g -1 after 1000 cycles. This finding offers a new perspective for the design of electrodes with large energy storage.
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2015-05-01
2014 and has become very topical for lithium - ion safety issues in commercial aircraft given several events that occurred recently. DND and allies will...of the said government-only meetings and working groups include the annual Lithium battery safety working group), National Defense Industry...industry to provide energy products and power sources for a multitude of equipment from small batteries for soldier devices to 500-kilowatt electric
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Variability in the management of lithium poisoning.
Roberts, Darren M; Gosselin, Sophie
2014-01-01
Three patterns of lithium poisoning are recognized: acute, acute-on-chronic, and chronic. Intravenous fluids with or without an extracorporeal treatment are the mainstay of treatment; their respective roles may differ depending on the mode of poisoning being treated. Recommendations for treatment selection are available but these are based on a small number of observational studies and their uptake by clinicians is not known. Clinician decision-making in the treatment of four cases of lithium poisoning was assessed at a recent clinical toxicology meeting using an audience response system. Variability in treatment decisions was evident in addition to discordance with published recommendations. Participants did not consistently indicate that hemodialysis was the first-line treatment, instead opting for a conservative approach, and continuous modalities were viewed favorably; this is in contrast to recommendations in some references. The development of multidisciplinary consensus guidelines may improve the management of patients with lithium poisoning but prospective randomized controlled trials are required to more clearly define the role of extracorporeal treatments. © 2014 Wiley Periodicals, Inc.
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2012-03-02
Programs and services to help you start, grow and succeed www.sba.gov U.S. Small Business Administration Your Small Business Resource 1Approved for...Public Release SBA Innovation Clusters RADM Steven G. Smith USN (Ret) Advanced Defense Technology Cluster Coordinator U.S. Small Business ...UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) U.S. Small Business Administration ,Advanced Defense Technology Cluster,409 3rd St, SW
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Li, Guangmao; Zhen, Ni; Chu, Yu; Zhou, Zhongxiang
2017-12-21
Li 3 Ge 3 Se 6 , the first compound of the ternary Li/Ge/Se system, has been synthesized. Note that interesting 1D ∞ [Ge 6 Se 12 ] n chains constructed by ethane-like [Ge 2 Se 6 ] 6- clusters were discovered in its structure. Investigations on the structures of all the [Ge 2 Se 6 ] 6- cluster-containing compounds have shown that only in Li 3 Ge 3 Se 6 are there 1D chains composed of [Ge 2 Se 6 ] 6- clusters, which result from the space limitation within the tunnels surrounded by LiSe 6 octahedra. Raman spectrum was obtained to demonstrate the existence of Ge-Ge bonds. UV-visible-NIR diffuse reflection spectrum showed an optical bandgap of 2.08 eV. Theoretical calculations based on first principles have also been performed for its band structure and density of states to analyze its structure-property relationship.
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A Study on New Composite Thermoplastic Propellant
NASA Astrophysics Data System (ADS)
Kahara, Takehiro; Nakayama, Masanobu; Hasegawa, Hiroshi; Katoh, Kazushige; Miyazaki, Shigehumi; Maruizumi, Haruki; Hori, Keiichi; Morita, Yasuhiro; Akiba, Ryojiro
Efforts have been paid to realize a new composite propellant using thermoplastics as a fuel binder and lithium as a metallic fuel. Thermoplastics binder makes it possible the storage of solid propellant in small blocks and to provide propellants blocks into rocket motor case at a quantity needed just before use, which enables the production facility of solid propellant at a minimum level, thus, production cost significantly lower. Lithium has been a candidate for a metallic fuel for the ammonium perchlorate based composite propellants owing to its capability to reduce the hydrogen chloride in the exhaust gas, however, never been used because lithium is not stable at room conditions and complex reaction products between oxygen, nitrogen, and water are formed at the surface of particles and even in the core. However, lithium particles whose surface shell structure is well controlled are rather stable and can be stored in thermoplastics for a long period. Evaluation of several organic thermoplastics whose melting temperatures are easily tractable was made from the standpoint of combustion characteristics, and it is shown that thermoplastics propellants can cover wide range of burning rate spectrum. Formation of well-defined surface shell of lithium particles and its kinetics are also discussed.
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A salient effect of density on the dynamics of nonaqueous electrolytes.
Han, Sungho
2017-04-24
The mobility and solvation of lithium ions in electrolytes are crucial for the performance and safety of lithium ion batteries. It has been known that a single type of solvent cannot satisfy the requirements of both mobility and solvation simultaneously for electrolytes. Therefore, complex solvent mixtures have been used to optimize both properties. Here we present the effects of density on the dynamics and solvation of organic liquid electrolytes via extensive molecular dynamics simulations. Our study finds that a small variation in density can induce a significant effect on the mobility of electrolytes but does not influence the solvation structure of a lithium ion. It turns out that an adjustment of the density of electrolytes could provide a more effective way to enhance mobility than a control of the solvent mixture ratio of electrolytes. Our study reveals that the density change of electrolytes mainly affects the residence time of solvents in the first solvation shell of a lithium ion rather than the structural change of the solvation sheath. Finally, our results suggest an intriguing point for understanding and designing electrolytes of lithium ion batteries for better performance and safety.
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A salient effect of density on the dynamics of nonaqueous electrolytes
NASA Astrophysics Data System (ADS)
Han, Sungho
2017-04-01
The mobility and solvation of lithium ions in electrolytes are crucial for the performance and safety of lithium ion batteries. It has been known that a single type of solvent cannot satisfy the requirements of both mobility and solvation simultaneously for electrolytes. Therefore, complex solvent mixtures have been used to optimize both properties. Here we present the effects of density on the dynamics and solvation of organic liquid electrolytes via extensive molecular dynamics simulations. Our study finds that a small variation in density can induce a significant effect on the mobility of electrolytes but does not influence the solvation structure of a lithium ion. It turns out that an adjustment of the density of electrolytes could provide a more effective way to enhance mobility than a control of the solvent mixture ratio of electrolytes. Our study reveals that the density change of electrolytes mainly affects the residence time of solvents in the first solvation shell of a lithium ion rather than the structural change of the solvation sheath. Finally, our results suggest an intriguing point for understanding and designing electrolytes of lithium ion batteries for better performance and safety.
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Yang, Qingxia; Xu, Jun; Cao, Binggang; Li, Xiuqing
2017-01-01
Identification of internal parameters of lithium-ion batteries is a useful tool to evaluate battery performance, and requires an effective model and algorithm. Based on the least square genetic algorithm, a simplified fractional order impedance model for lithium-ion batteries and the corresponding parameter identification method were developed. The simplified model was derived from the analysis of the electrochemical impedance spectroscopy data and the transient response of lithium-ion batteries with different states of charge. In order to identify the parameters of the model, an equivalent tracking system was established, and the method of least square genetic algorithm was applied using the time-domain test data. Experiments and computer simulations were carried out to verify the effectiveness and accuracy of the proposed model and parameter identification method. Compared with a second-order resistance-capacitance (2-RC) model and recursive least squares method, small tracing voltage fluctuations were observed. The maximum battery voltage tracing error for the proposed model and parameter identification method is within 0.5%; this demonstrates the good performance of the model and the efficiency of the least square genetic algorithm to estimate the internal parameters of lithium-ion batteries. PMID:28212405
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LITHIUM DEPLETION IS A STRONG TEST OF CORE-ENVELOPE RECOUPLING
DOE Office of Scientific and Technical Information (OSTI.GOV)
Somers, Garrett; Pinsonneault, Marc H., E-mail: somers@astronomy.ohio-state.edu
2016-09-20
Rotational mixing is a prime candidate for explaining the gradual depletion of lithium from the photospheres of cool stars during the main sequence. However, previous mixing calculations have relied primarily on treatments of angular momentum transport in stellar interiors incompatible with solar and stellar data in the sense that they overestimate the internal differential rotation. Instead, recent studies suggest that stars are strongly differentially rotating at young ages but approach a solid body rotation during their lifetimes. We modify our rotating stellar evolution code to include an additional source of angular momentum transport, a necessary ingredient for explaining the openmore » cluster rotation pattern, and examine the consequences for mixing. We confirm that core-envelope recoupling with a ∼20 Myr timescale is required to explain the evolution of the mean rotation pattern along the main sequence, and demonstrate that it also provides a more accurate description of the Li depletion pattern seen in open clusters. Recoupling produces a characteristic pattern of efficient mixing at early ages and little mixing at late ages, thus predicting a flattening of Li depletion at a few Gyr, in agreement with the observed late-time evolution. Using Li abundances we argue that the timescale for core-envelope recoupling during the main sequence decreases sharply with increasing mass. We discuss the implications of this finding for stellar physics, including the viability of gravity waves and magnetic fields as agents of angular momentum transport. We also raise the possibility of intrinsic differences in initial conditions in star clusters using M67 as an example.« less
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Lithium alters the morphology of neurites regenerating from cultured adult spiral ganglion neurons.
Shah, S M; Patel, C H; Feng, A S; Kollmar, R
2013-10-01
The small-molecule drug lithium (as a monovalent ion) promotes neurite regeneration and functional recovery, is easy to administer, and is approved for human use to treat bipolar disorder. Lithium exerts its neuritogenic effect mainly by inhibiting glycogen synthase kinase 3, a constitutively-active serine/threonine kinase that is regulated by neurotrophin and "wingless-related MMTV integration site" (Wnt) signaling. In spiral ganglion neurons of the cochlea, the effects of lithium and the function of glycogen synthase kinase 3 have not been investigated. We, therefore, set out to test whether lithium modulates neuritogenesis from adult spiral ganglion neurons. Primary cultures of dissociated spiral ganglion neurons from adult mice were exposed to lithium at concentrations between 0 and 12.5 mM. The resulting neurite morphology and growth-cone appearance were measured in detail by using immunofluorescence microscopy and image analysis. We found that lithium altered the morphology of regenerating neurites and their growth cones in a differential, concentration-dependent fashion. Low concentrations of 0.5-2.5 mM (around the half-maximal inhibitory concentration for glycogen synthase kinase 3 and the recommended therapeutic serum concentration for bipolar disorder) enhanced neurite sprouting and branching. A high concentration of 12.5 mM, in contrast, slowed elongation. As the lithium concentration rose from low to high, the microtubules became increasingly disarranged and the growth cones more arborized. Our results demonstrate that lithium selectively stimulates phases of neuritogenesis that are driven by microtubule reorganization. In contrast, most other drugs that have previously been tested on spiral ganglion neurons are reported to inhibit neurite outgrowth or affect only elongation. Lithium sensitivity is a necessary, but not sufficient condition for the involvement of glycogen synthase kinase 3. Our results are, therefore, consistent with, but do not prove lithium inhibiting glycogen synthase kinase 3 activity in spiral ganglion neurons. Experiments with additional drugs and molecular-genetic tools will be necessary to test whether glycogen synthase kinase 3 regulates neurite regeneration from spiral ganglion neurons, possibly by integrating neurotrophin and Wnt signals at the growth cone. Copyright © 2013 Elsevier B.V. All rights reserved.
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Real time neutron diffraction and NMR of the Empress II glass-ceramic system.
O'Donnell, M D; Hill, R G; Karpukhina, N; Law, R V
2011-10-01
This study reports real time neutron diffraction on the Empress II glass-ceramic system. The commercial glass-ceramics was characterized by real time neutron diffraction, ³¹P and ²⁹Si solid-state MAS-NMR, DSC and XRD. On heating, the as-received glass ceramic contained lithium disilicate (Li₂Si₂O₅), which melted with increasing temperature. This was revealed by neutron diffraction which showed the Bragg peaks for this phase had disappeared by 958°C in agreement with thermal analysis. On cooling lithium metasilicate (Li₂SiO₃) started to form at around 916°C and a minor phase of cristobalite at around 852°C. The unit cell volume of both Li-silicate phases increased linearly with temperature at a rate of +17×10⁻³ ų.°C⁻¹. Room temperature powder X-ray diffraction (XRD) of the material after cooling confirms presence of the lithium metasilicate and cristobalite as the main phases and shows, in addition, small amount of lithium disilicate and orthophosphate. ³¹P MAS-NMR reveals presence of the lithiorthophosphate (Li₃PO₄) before and after heat treatment. The melting of lithium disilicate on heating and crystallisation of lithium metasilicate on cooling agree with endothermic and exotermic features respectively observed by DSC. ²⁹Si MAS-NMR shows presence of lithium disilicate phase in the as-received glass-ceramic, though not in the major proportion, and lithium metasilicate in the material after heat treatment. Both phases have significantly long T₁ relaxation time, especially the lithium metasilicate, therefore, a quantitative analysis of the ²⁹Si MAS-NMR spectra was not attempted. Significance. The findings of the present work demonstrate importance of the commercially designed processing parameters in order to preserve desired characteristics of the material. Processing the Empress II at a rate slower than recommended 60°C min⁻¹ or long isothermal hold at the maximal processing temperature 920°C can cause crystallization of lithium metasilicate and cristobalite instead of lithium disilicate as major phase. Copyright © 2011 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.
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Ferensztajn-Rochowiak, Ewa; Tarnowski, Maciej; Samochowiec, Jerzy; Michalak, Michal; Ratajczak, Mariusz Z; Rybakowski, Janusz K
2016-10-01
The aim was to evaluate the peripheral mRNA expression of pluripotency master transcriptional factors such as octamer-binding transcription factor 4 (Oct4), sex-determining region Y-box 2 (Sox2) and homeobox protein Nanog, in patients with bipolar disorder (BD), and the effect of long-term lithium treatment. Fifteen BD patients (aged 53±7years) not treated with lithium, with duration of illness>10years, 15 BD patients (aged 55±6years) treated with lithium for 8-40 years (mean 16years) and 15 control subjects (aged 50±5years) were included. Assessment of the mRNA levels of pluripotency markers (Oct-4, Sox 2 and Nanog) was performed, using the Real-time quantitative reverse transcription PCR (RQ-PCR) procedure, and the number of CD34+ very small embryonic-like stem cells (VSELs) was measured by flow cytometric analysis. In those BD patients not treated with lithium the expression of all three pluripotency genes was significantly higher than that in the control subjects. Oct-4, Sox2 and Nanog also positively correlated with the number of CD34+ VSELs/[ul] in this group. In the lithium-treated patients the mRNA levels of Nanog were significantly higher than in the control individuals and correlated with the number and % of CD34+ VSELs. The overexpression of the pluripotency master transcriptional factors in patients with a long duration of BD not treated with lithium, may contribute to the pathogenesis of the illness and make them potential biological markers of BD. Long-term lithium treatment may attenuate these excessive regenerative processes, especially in relation to the transcription factors Oct-4 and Sox2. Copyright © 2016. Published by Elsevier Urban & Partner Sp. z o.o.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Huang, Chuanfu; Kresin, Vitaly V., E-mail: kresin@usc.edu
This note describes a system for transferring a load of high purity lithium metal into a molecular or cluster beam source. A hot loading vessel is thoroughly baked out while empty and overpressured with argon. A clean Li rod is then dropped in through a long narrow tube. The thoroughly degassed interior of the vessel and the rapid melting of the inserted rod facilitate contamination-free transfer of the highly reactive liquid metal into the source oven.
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Effect of channel coupling on the elastic scattering of lithium isotopes
NASA Astrophysics Data System (ADS)
Furumoto, T.; Suhara, T.; Itagaki, N.
2018-04-01
Herein, we investigated the channel coupling (CC) effect on the elastic scatterings of lithium (Li) isotopes (A =6 -9) for 12C and 28Si targets at E /A =50 -60 MeV. The wave functions of the Li isotopes were obtained using the stochastic multi-configuration mixing method based on the microscopic-cluster model. The proton radii of the 7Li, 8Li, and 9Li nuclei became smaller as the number of valence neutrons increased. The valence neutrons in the 8Li and 9Li nuclei exhibited a glue-like behavior, thereby attracting the α and t clusters. Based on the transition densities derived from these microscopic wave functions, the elastic-scattering cross section was calculated using a microscopic coupled-channel method with a complex G -matrix interaction. The existing experimental data for the elastic scatterings of the Li isotopes and 10Be nuclei were well reproduced. The Li isotope elastic cross sections were demonstrated for the 12C and 28Si targets at E /A =53 MeV. The glue-like effect of the valence neutrons on the Li isotope was clearly demonstrated by the CC effect on elastic scattering. Finally, we realize that the valence neutrons stabilized the bindings of the core parts and the CC effect related to core excitation was indeed reduced.
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NASA Astrophysics Data System (ADS)
Biazzo, K.; Frasca, A.; Alcalá, J. M.; Zusi, M.; Covino, E.; Randich, S.; Esposito, M.; Manara, C. F.; Antoniucci, S.; Nisini, B.; Rigliaco, E.; Getman, F.
2017-09-01
Aims: With the purpose of performing a homogeneous determination of elemental abundances for members of the Lupus T association, we analyzed three chemical elements: lithium, iron, and barium. The aims were: 1) to derive the lithium abundance for the almost complete sample ( 90%) of known class II stars in the Lupus I, II, III, and IV clouds; 2) to perform chemical tagging of a region where few iron abundance measurements have been obtained in the past, and no determination of the barium content has been done up to now. We also investigated possible barium enhancement at the very young age of the region, as this element has become increasingly interesting in the last few years following the evidence of barium over-abundance in young clusters, the origin of which is still unknown. Methods: Using the X-shooter spectrograph mounted on the Unit 2 (UT2) at the Very Large Telescope (VLT), we analyzed the spectra of 89 cluster members, both class II (82) and class III (7) stars. We measured the strength of the lithium line at λ6707.8 Å and derived the abundance of this element through equivalent width measurements and curves of growth. For six class II stars we also derived the iron and barium abundances using the spectral synthesis method and the code MOOG. The veiling contribution was taken into account in the abundance analysis for all three elements. Results: We find a dispersion in the strength of the lithium line at low effective temperatures and identify three targets with severe Li depletion. The nuclear age inferred for these highly lithium-depleted stars is around 15 Myr, which exceeds by an order of magnitude the isochronal one. We derive a nearly solar metallicity for the members whose spectra could be analyzed. We find that Ba is over-abundant by 0.7 dex with respect to the Sun. Since current theoretical models cannot reproduce this abundance pattern, we investigated whether this unusually large Ba content might be related to effects due to stellar parameters, stellar activity, and accretion. Conclusions: We are unable to firmly assess whether the dispersion in the lithium content we observe is a consequence of an age spread. As in other star-forming regions, no metal-rich members are found in Lupus, giving support to a recent hypothesis that the iron abundance distribution of most of the nearby young regions could be the result of a common and widespread star formation episode involving the Galactic thin disk. Among the possible causes or sources for Ba enhancement examined here, none is sufficient to account for the over-abundance of this element at a 0.7 dex level. Based on observations collected at the European Organization for Astronomical Research in the Southern Hemisphere (Paranal, Chile) under programs 084.C-0269(A), 085.C-0238(A), 085.C-0764(A), 086.C- 0173(A), 087.C-0244(A), 089.C-0143(A), 093.C-0506(A), 095.C-0134(A), and 097.C-0349(A).This paper is dedicated to the memory of Prof. Francesco Palla, who passed away in 2016.
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Probing potential Li-ion battery electrolyte through first principles simulation of atomic clusters
NASA Astrophysics Data System (ADS)
Kushwaha, Anoop Kumar; Sahoo, Mihir Ranjan; Nayak, Saroj
2018-04-01
Li-ion battery has wide area of application starting from low power consumer electronics to high power electric vehicles. However, their large scale application in electric vehicles requires further improvement due to their low specific power density which is an essential parameter and is closely related to the working potential windows of the battery system. Several studies have found that these parameters can be taken care of by considering different cathode/anode materials and electrolytes. Recently, a unique approach has been reported on the basis of cluster size in which the use of Li3 cluster has been suggested as a potential component of the battery electrode material. The cluster based approach significantly enhances the working electrode potential up to 0.6V in the acetonitrile solvent. In the present work, using ab-initio quantum chemical calculation and the dielectric continuum model, we have investigated various dielectric solvent medium for the suitable electrolyte for the potential component Li3 cluster. This study suggests that high dielectric electrolytic solvent (ethylene carbonate and propylene carbonate) could be better for lithium cluster due to improvement in the total electrode potential in comparison to the other dielectric solvent.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Hubaud, Aude A.; Schroeder, David J.; Ingram, Brian J.
The thermal expansion (TE) coefficients of the lithium-stable lithium-ion conducting garnet lithium lanthanum zirconium oxide (LLZ) and the effect of aluminum substitution were measured from room temperature up to 700 °C by a synchrotron-based X-ray diffraction. The typical TE value measured for the most reported composition (LLZ doped with 0.3 wt.% or 0.093 mol% aluminum) was 15.498 × 10-6 K-1, which is approximately twice the value reported for other garnet-type structures. As the Al(III) concentration has been observed to strongly affect the structure observed and the ionic conductivity, we also assessed its role on thermal expansion and noted only amore » small variation with increasing dopant concentration. The materials implications for using LLZ in a solid state battery are discussed.« less
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Hedstrom, J.C.
1973-10-01
A laser-driven fusion reactor consisting of concentric spherical vessels in which the thermonuclear energy is derived from a deuterium-tritium (D + T) burn within a pellet'', located at the center of the vessels and initiated by a laser pulse. The resulting alpha -particle energy and a small fraction of the neutron energy are deposited within the pellet; this pellet energy is eventually transformed into sensible heat of lithium in a condenser outside the vessels. The remaining neutron energy is dissipated in a lithium blanket, located within the concentric vessels, where the fuel ingredient, tritium, is also produced. The heat content of the blanket and of the condenser lithium is eventually transferred to a conventional thermodynamic plant where the thermal energy is converted to electrical energy in a steam Rankine cycle. (Official Gazette)
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Ohm's Law, Batteries, and the Clean Energy Landscape
NASA Astrophysics Data System (ADS)
Balsara, Nitash
The need for creating safe electrolytes for lithium batteries is significant given the continued safety problems associated with current lithium-ion batteries. Nonflammable polymer electrolytes offer a possible solution but the rate of lithium ion transport is too low for practical applications. In this talk, I will discuss some of the fundamental factors that limit ion transport in polymers. Polymer electrolytes obey Ohm's Law, i.e. in the limit of small applied potentials, the current generated at steady state is proportional to the applied potential. Factors that determine the current generated will be determined using the continuum theory of Newman. Independent measurements of ion diffusion by pulsed-field gradient NMR will also be presented. The talk will end with a discussion of the possibility of commercializing all-solid batteries with polymer electrolytes.
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Nirmale, Trupti C; Kale, Bharat B; Varma, Anjani J
2017-10-01
Lithium ion batteries (LIB) are the most promising energy storage systems for portable electronics and future electric or hybrid-electric vehicles. However making them safer, cost effective and environment friendly is the key challenge. In this regard, replacing petro-derived materials by introducing renewable biomass derived cellulose derivatives and lignin based materials into the battery system is a promising approach for the development of green materials for LIB. These biomaterials introduce sustainability as well as improved safety in the final disposal of LIB batteries. In this review we introduce LIB materials technology in brief and recent developments in electrodes and binders based on cellulose and their derivatives and lignin for lithium ion batteries. Copyright © 2017 Elsevier B.V. All rights reserved.
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Thin-film rechargeable lithium batteries
NASA Astrophysics Data System (ADS)
Dudney, N. J.; Bates, J. B.; Lubben, D.
1994-11-01
Small thin-film rechargeable cells have been fabricated with a lithium phosphorus oxynitride electrolyte, Li metal anode, and Li(1-x)Mn2O4 as the cathode film. The cathode films were fabricated by several different techniques resulting in both crystalline and amorphous films. These were compared by observing the cell discharge behavior. Estimates have been made for the scale-up of such a thin-film battery to meet the specifications for the electric vehicle application. The specific energy, energy density, and cycle life are expected to meet the USABC mid-term criteria. However, the areas of the thin-films needed to fabricate such a cell are very large. The required areas could be greatly reduced by operating the battery at temperatures near 100 C or by enhancing the lithium ion transport rate in the cathode material.
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Targeting as the basis for pre-test market of lithium-ion battery
NASA Astrophysics Data System (ADS)
Yuniaristanto, Zakaria, R.; Saputri, V. H. L.; Sutopo, W.; Kadir, E. A.
2017-11-01
This article discusses about market segmentation and targeting as a first step in pre-test market of a new technology. The benefits of targeting towards pre-test market are pre-test market can be conducted to focus on selected target markets so there is no bias during the pre-test market. In determining the target market then do some surveys to identify the state of market in the future, so that the marketing process is not misplaced. Lithium ion battery which is commercialized through start-up companies is the case study. This start-up companies must be able to respond the changes and bring in customers as well as maintain them so that companies can survive and evolve to achieve its objectives. The research aims to determine market segments and target market effectively. Marketing strategy (segmentation and targeting) is used to make questionnaire and cluster analysis in data processing. Respondents were selected by purposive sampling and have obtained data as many as 80 samples. As the results study, there are three segments for lithium ion battery with their own distinguished characteristics and there are two segments that can be used as the target market for the company.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, Jianbao; Ma, Zhongjun, E-mail: mzj1234402@163.com; Chen, Guanrong
All edges in the classical Watts and Strogatz's small-world network model are unweighted and cooperative (positive). By introducing competitive (negative) inter-cluster edges and assigning edge weights to mimic more realistic networks, this paper develops a modified model which possesses co-competitive weighted couplings and cluster structures while maintaining the common small-world network properties of small average shortest path lengths and large clustering coefficients. Based on theoretical analysis, it is proved that the new model with inter-cluster co-competition balance has an important dynamical property of robust cluster synchronous pattern formation. More precisely, clusters will neither merge nor split regardless of adding ormore » deleting nodes and edges, under the condition of inter-cluster co-competition balance. Numerical simulations demonstrate the robustness of the model against the increase of the coupling strength and several topological variations.« less
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NASA Astrophysics Data System (ADS)
Zhang, Jianbao; Ma, Zhongjun; Chen, Guanrong
2014-06-01
All edges in the classical Watts and Strogatz's small-world network model are unweighted and cooperative (positive). By introducing competitive (negative) inter-cluster edges and assigning edge weights to mimic more realistic networks, this paper develops a modified model which possesses co-competitive weighted couplings and cluster structures while maintaining the common small-world network properties of small average shortest path lengths and large clustering coefficients. Based on theoretical analysis, it is proved that the new model with inter-cluster co-competition balance has an important dynamical property of robust cluster synchronous pattern formation. More precisely, clusters will neither merge nor split regardless of adding or deleting nodes and edges, under the condition of inter-cluster co-competition balance. Numerical simulations demonstrate the robustness of the model against the increase of the coupling strength and several topological variations.
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A New Synthesis of Tertiary Alkyl N-Arylcarbamates from Isocyanates.
ERIC Educational Resources Information Center
Bailey, William J.; Griffith, James R.
1978-01-01
The method involves the dissolution of a small piece of metallic lithium in a small quantity of tertiary alcohol followed by addition to a mixture of the isocyanate and the tertiary alcohol in ether. This should be useful in organic chemistry laboratory courses for the identification of tertiary alcohols. (Author/BB)
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Nuclear quantum effects in water exchange around lithium and fluoride ions
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wilkins, David M.; Manolopoulos, David; Dang, Liem X.
2015-02-14
We employ classical and ring polymer molecular dynamics simulations to study the effect of nuclear quantum fluctuations on the structure and the water exchange dynamics of aqueous solutions of lithium and fluoride ions. While we obtain reasonably good agreement with experimental data for solutions of lithium by augmenting the Coulombic interactions between the ion and the water molecules with a standard Lennard-Jones ion-oxygen potential, the same is not true for solutions of fluoride, for which we find that a potential with a softer repulsive wall gives much better agreement. A small degree of destabilization of the first hydration shell ismore » found in quantum simulations of both ions when compared with classical simulations, with the shell becoming less sharply defined and the mean residence time of the water molecules in the shell decreasing. In line with these modest differences, we find that the mechanisms of the water exchange reactions are unaffected by quantization, so a classical description of these reactions gives qualitatively correct and quantitatively reasonable results. We also find that the quantum effects in solutions of lithium are larger than in solutions of fluoride. This is partly due to the stronger interaction of lithium with water molecules, partly due to the lighter mass of lithium, and partly due to competing quantum effects in the hydration of fluoride, which are absent in the hydration of lithium. LXD was supported by US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences.« less
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Startup of RAPID-L Lunar Base Reactor by Lithium Release Module
NASA Astrophysics Data System (ADS)
Kambe, Mitsuru
The 200 kWe uranium-nitride fueled lithium cooled fast reactor concept RAPID-L to be combined with thermoelectric power conversion system for lunar base power system is demonstrated. Unique challenges in reactivity control systems design have been attempted in RAPID-L concept. The reactor involves the following innovative reactivity control systems: Lithium Expansion Modules (LEM) for inherent reactivity feedback, Lithium Injection Modules (LIM) for inherent ultimate shutdown, and Lithium Release Modules (LRM) for automated reactor startup. All these systems adopt lithium-6 as a liquid poison instead of conventional B4C rods or Be reflectors. These systems are effective independent of the magnitude and direction of the gravity force. In 2006, however, the following design amendment has been made. 1) B4C poison rods were added to ensure criticality safety in unintended positive reactivity insertion by LRMs due to fire in the launch phase accident; because LRM freeze seal melts at 800°C which result in positive reactivity insertion. 2) Lower hot standby temperature of 200°C was adopted instead of conventional 800°C to reduce the external power at the startup. In this paper, development of the LRM orifice which dominates the startup transient of RAPID-L is discussed. An attention was focused how to achieve sufficiently small flow rate of 6Li in the orifice because it enables moderate positive reactivity insertion rate. The LRM orifice performance has been confirmed using 0.5 mm diameter SUS316 orifice/lithium flow test setup in the glove box.
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Kim, Minkyoung; Choi, Seung-Hoon; Kim, Junhyoung; Choi, Kihang; Shin, Jae-Min; Kang, Sang-Kee; Choi, Yun-Jaie; Jung, Dong Hyun
2009-11-01
This study describes the application of a density-based algorithm to clustering small peptide conformations after a molecular dynamics simulation. We propose a clustering method for small peptide conformations that enables adjacent clusters to be separated more clearly on the basis of neighbor density. Neighbor density means the number of neighboring conformations, so if a conformation has too few neighboring conformations, then it is considered as noise or an outlier and is excluded from the list of cluster members. With this approach, we can easily identify clusters in which the members are densely crowded in the conformational space, and we can safely avoid misclustering individual clusters linked by noise or outliers. Consideration of neighbor density significantly improves the efficiency of clustering of small peptide conformations sampled from molecular dynamics simulations and can be used for predicting peptide structures.
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NASA Astrophysics Data System (ADS)
Li, Donglin; Zhang, Wei; Sun, Ru; Yong, Hong-Tuan-Hua; Chen, Guangqi; Fan, Xiaoyong; Gou, Lei; Mao, Yiyang; Zhao, Kun; Tian, Miao
2016-06-01
Exploring a new method to fabricate small-sized nanofibers is essential to achieve superior performances for energy conversion and storage devices. Here, a novel soft-template strategy is developed to synthesize a three-dimensionally ordered macroporous (3DOM) architecture constructed from small-sized nanofibers. The effectiveness of a nanofiber-assembled three-dimensional inverse opal material as an electrode for high-rate lithium-ion batteries is demonstrated. The small-sized Li2FeSiO4/C composite nanofibers with a diameter of 20-30 nm are grown by employing a tri-block copolymer P123 as a structure directing agent. Accordingly, the macro-mesoporous hierarchical 3DOM architecture constructed from Li2FeSiO4/C nanofibers is further templated from P123 for the nanofibers and a polystyrene colloidal crystal array for the 3DOM architecture. We find that the thermal stability of the nanofiber morphology depends on the self-limited growth of Li2FeSiO4 nanocrystals in a crystalline-amorphous hybrid. As a cathode for a lithium-ion battery, the 3D hierarchical macro-mesoporous cathodes exhibit outstanding high-rate and ultralong-life performances with a capacity retention of 84% after 1500 cycles at 5 C in the voltage window of 1.5-4.5 V, which is greatly improved compared with a simple 3DOM Li2FeSiO4/C nanocomposite.Exploring a new method to fabricate small-sized nanofibers is essential to achieve superior performances for energy conversion and storage devices. Here, a novel soft-template strategy is developed to synthesize a three-dimensionally ordered macroporous (3DOM) architecture constructed from small-sized nanofibers. The effectiveness of a nanofiber-assembled three-dimensional inverse opal material as an electrode for high-rate lithium-ion batteries is demonstrated. The small-sized Li2FeSiO4/C composite nanofibers with a diameter of 20-30 nm are grown by employing a tri-block copolymer P123 as a structure directing agent. Accordingly, the macro-mesoporous hierarchical 3DOM architecture constructed from Li2FeSiO4/C nanofibers is further templated from P123 for the nanofibers and a polystyrene colloidal crystal array for the 3DOM architecture. We find that the thermal stability of the nanofiber morphology depends on the self-limited growth of Li2FeSiO4 nanocrystals in a crystalline-amorphous hybrid. As a cathode for a lithium-ion battery, the 3D hierarchical macro-mesoporous cathodes exhibit outstanding high-rate and ultralong-life performances with a capacity retention of 84% after 1500 cycles at 5 C in the voltage window of 1.5-4.5 V, which is greatly improved compared with a simple 3DOM Li2FeSiO4/C nanocomposite. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr07783d
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Mastering the interface for advanced all-solid-state lithium rechargeable batteries
Li, Yutao; Zhou, Weidong; Chen, Xi; Lü, Xujie; Cui, Zhiming; Xin, Sen; Xue, Leigang; Jia, Quanxi; Goodenough, John B.
2016-01-01
A solid electrolyte with a high Li-ion conductivity and a small interfacial resistance against a Li metal anode is a key component in all-solid-state Li metal batteries, but there is no ceramic oxide electrolyte available for this application except the thin-film Li-P oxynitride electrolyte; ceramic electrolytes are either easily reduced by Li metal or penetrated by Li dendrites in a short time. Here, we introduce a solid electrolyte LiZr2(PO4)3 with rhombohedral structure at room temperature that has a bulk Li-ion conductivity σLi = 2 × 10−4 S⋅cm−1 at 25 °C, a high electrochemical stability up to 5.5 V versus Li+/Li, and a small interfacial resistance for Li+ transfer. It reacts with a metallic lithium anode to form a Li+-conducting passivation layer (solid-electrolyte interphase) containing Li3P and Li8ZrO6 that is wet by the lithium anode and also wets the LiZr2(PO4)3 electrolyte. An all-solid-state Li/LiFePO4 cell with a polymer catholyte shows good cyclability and a long cycle life. PMID:27821751
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Presidential Green Chemistry Challenge: 2008 Small Business Award
Presidential Green Chemistry Challenge 2008 award winner, SiGNa Chemistry, stabilized highly reactive sodium and lithium by encapsulating them in porous, sand-like powder, maintaining their usefulness in synthetic reactions.
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Using lithium ion batteries in the aeromedical environment: a calculated risk?
Haggerty, Andrew; Keogh, Sean
2015-04-01
Lithium ion batteries are increasingly utilised within helicopter emergency medical services. Their favourable chemical profile confers many desirable properties: they are small, lightweight and provide a high specific capacity (energy to weight ratio) coupled with a slow self-discharge rate, ensuring a longer functional availability for vital equipment. They are frequently used in routine medical equipment including ventilators, monitors and intravenous pumps, and in aviation specific items, such as satellite and mobile phones, VHF radios and navigation systems. © 2015 Australasian College for Emergency Medicine and Australasian Society for Emergency Medicine.
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1981-01-08
lithium perchlorate was dried at -180°C for several days. Tetraethylammonium perchlorate was recrystallized from water and dried in a vacuum oven at...cases the electrolyte composition p, was chosen to be 0.1 M lithium perchlorate or 0.1 M tetraethyl ammonium perchlorate (TEAP). These electrolytes...perchlorate specific adsorption is quite noticeable. Hexafluorophosphate adsorption is sufficiently weak so that small positive values of the potential across
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Radiation-damage-assisted ferroelectric domain structuring in magnesium-doped lithium niobate
NASA Astrophysics Data System (ADS)
Jentjens, L.; Peithmann, K.; Maier, K.; Steigerwald, H.; Jungk, T.
2009-06-01
Irradiation of 5% magnesium-doped lithium niobate crystals (LiNbO3:Mg) with high-energy, low-mass 3He ions, which are transmitted through the crystal, changes the domain reversal properties of the material. This enables easier domain engineering compared to non-irradiated material and assists the formation of small-sized periodically poled domains in LiNbO3:Mg. Periodic domain structures exhibiting a width of ≈520 nm are obtained in radiation-damaged sections of the crystals. The ferroelectric poling behavior between irradiated and non-treated material is compared.
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Structural studies of lead lithium borate glasses doped with silver oxide.
Coelho, João; Freire, Cristina; Hussain, N Sooraj
2012-02-01
Silver oxide doped lead lithium borate (LLB) glasses have been prepared and characterized. Structural and composition characterization were accessed by XRD, FTIR, Raman, SEM and EDS. Results from FTIR and Raman spectra indicate that Ag(2)O acts as a network modifier even at small quantities by converting three coordinated to four coordinated boron atoms. Other physical properties, such as density, molar volume and optical basicity are also evaluated. Furthermore, they are also affected by the silver oxide composition. Copyright © 2011 Elsevier B.V. All rights reserved.
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NASA Astrophysics Data System (ADS)
Ionica-Bousquet, C. M.; Muñoz-Rojas, D.; Casteel, W. J.; Pearlstein, R. M.; Kumar, G. Girish; Pez, G. P.; Palacín, M. R.
Solutions of novel fluorinated lithium dodecaborate (Li 2B 12F xH 12- x) salts have been evaluated as electrolytes in nonaqueous asymmetric supercapacitors with Li 4Ti 5O 12 as negative electrode, and activated carbon (AC) as positive electrode. The results obtained with these new electrolytes were compared with those obtained with cells built using standard 1 M LiPF 6 dissolved in ethylene carbonate and dimethyl carbonate (EC:DMC; 1:1, v/v) as electrolyte. The specific energy, rate capability, and cycling performances of nonaqueous asymmetric cells based on these new electrolyte salts were studied. Cells assembled using the new fluoroborate salts show excellent reversibility, coulombic efficiency, rate capability and improved cyclability when compared with the standard electrolyte. These features confirm the suitability of lithium-fluoro-borate based salts to be used in nonaqueous asymmetric supercapacitors.
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Wang, Chao; Li, Shiheng; Han, Yuyao; Lu, Zhenda
2017-08-23
A novel structure of a carbon-coated LiMnPO 4 microcluster through emulsion-based self-assembly has been fabricated to yield a high-performance battery cathode. In this rational design, nanosized LiMnPO 4 plates are assembled into microclusters to achieve a dense packing and robust interparticle contact. In addition, the conductive carbon framework wrapping around these clusters functions as a fast electron highway, ensuring the high utilization of the active materials. The designed structure demonstrates enhanced specific capacity and cycling stability in lithium-ion batteries, delivering a discharge capacity of 120 mAh g -1 after 200 cycles at 0.2 C. It also shows a superior rate capability with discharge capacities of 139.7 mAh g -1 at 0.05 C, 131.7 mAh g -1 at 0.1 C, and 99.2 mAh g -1 at 1 C at room temperature.
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NASA Technical Reports Server (NTRS)
Deliyannis, Constantine P.; Demarque, Pierre
1991-01-01
Stellar evolutionary models with diffusion are used to show that observations of lithium in extreme halo stars provide crucial constraints on the magnitude of the effects of helium diffusion. The flatness of the observed Li-T(eff) relation severely constrains diffusion Li isochrones, which tend to curve downward toward higher T(eff). It is argued that Li observations at the hot edge of the plateau are particularly important in constraining the effects of helium diffusion; yet, they are currently few in number. It is proposed that additional observations are required there, as well as below 5500 K, to define more securely the morphology of the halo Li abundances. Implications for the primordial Li abundance are considered. It is suggested that a conservative upper limit to the initial Li abundance, due to diffusive effects alone, is 2.35.
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NASA Astrophysics Data System (ADS)
Janesko, Benjamin G.
2018-02-01
Parameter-free atomistic simulations of entangled solid-state paramagnetic defects may aid in the rational design of devices for quantum information science. This work applies time-dependent density functional theory (TDDFT) embedded-cluster simulations to a prototype entangled-defect system, namely two adjacent singlet-coupled F color centers in lithium fluoride. TDDFT calculations accurately reproduce the experimental visible absorption of both isolated and coupled F centers. The most accurate results are obtained by combining spin symmetry breaking to simulate strong correlation, a large fraction of exact (Hartree-Fock-like) exchange to minimize the defect electrons' self-interaction error, and a standard semilocal approximation for dynamical correlations between the defect electrons and the surrounding ionic lattice. These results motivate application of two-reference correlated ab initio approximations to the M-center, and application of TDDFT in parameter-free simulations of more complex entangled paramagnetic defect architectures.
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Lithium As Plasma Facing Component for Magnetic Fusion Research
DOE Office of Scientific and Technical Information (OSTI.GOV)
Masayuki Ono
The use of lithium in magnetic fusion confinement experiments started in the 1990's in order to improve tokamak plasma performance as a low-recycling plasma-facing component (PFC). Lithium is the lightest alkali metal and it is highly chemically reactive with relevant ion species in fusion plasmas including hydrogen, deuterium, tritium, carbon, and oxygen. Because of the reactive properties, lithium can provide strong pumping for those ions. It was indeed a spectacular success in TFTR where a very small amount (~ 0.02 gram) of lithium coating of the PFCs resulted in the fusion power output to improve by nearly a factor ofmore » two. The plasma confinement also improved by a factor of two. This success was attributed to the reduced recycling of cold gas surrounding the fusion plasma due to highly reactive lithium on the wall. The plasma confinement and performance improvements have since been confirmed in a large number of fusion devices with various magnetic configurations including CDX-U/LTX (US), CPD (Japan), HT-7 (China), EAST (China), FTU (Italy), NSTX (US), T-10, T-11M (Russia), TJ-II (Spain), and RFX (Italy). Additionally, lithium was shown to broaden the plasma pressure profile in NSTX, which is advantageous in achieving high performance H-mode operation for tokamak reactors. It is also noted that even with significant applications (up to 1,000 grams in NSTX) of lithium on PFCs, very little contamination (< 0.1%) of lithium fraction in main fusion plasma core was observed even during high confinement modes. The lithium therefore appears to be a highly desirable material to be used as a plasma PFC material from the magnetic fusion plasma performance and operational point of view. An exciting development in recent years is the growing realization of lithium as a potential solution to solve the exceptionally challenging need to handle the fusion reactor divertor heat flux, which could reach 60 MW/m2 . By placing the liquid lithium (LL) surface in the path of the main divertor heat flux (divertor strike point), the lithium is evaporated from the surface. The evaporated lithium is quickly ionized by the plasma and the ionized lithium ions can provide a strongly radiative layer of plasma ("radiative mantle"), thus could significantly reduce the heat flux to the divertor strike point surfaces, thus protecting the divertor surface. The protective effects of LL have been observed in many experiments and test stands. As a possible reactor divertor candidate, a closed LL divertor system is described. Finally, it is noted that the lithium applications as a PFC can be quite flexible and broad. The lithium application should be quite compatible with various divertor configurations, and it can be also applied to protecting the presently envisioned tungsten based solid PFC surfaces such as the ones for ITER. Lithium based PFCs therefore have the exciting prospect of providing a cost effective flexible means to improve the fusion reactor performance, while providing a practical solution to the highly challenging divertor heat handling issue confronting the steadystate magnetic fusion reactors.« less
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Shen, Laifa; Lv, Haifeng; Chen, Shuangqiang; Kopold, Peter; van Aken, Peter A; Wu, Xiaojun; Maier, Joachim; Yu, Yan
2017-07-01
Lithium ion capacitors are new energy storage devices combining the complementary features of both electric double-layer capacitors and lithium ion batteries. A key limitation to this technology is the kinetic imbalance between the Faradaic insertion electrode and capacitive electrode. Here, we demonstrate that the Li 3 VO 4 with low Li-ion insertion voltage and fast kinetics can be favorably used for lithium ion capacitors. N-doped carbon-encapsulated Li 3 VO 4 nanowires are synthesized through a morphology-inheritance route, displaying a low insertion voltage between 0.2 and 1.0 V, a high reversible capacity of ≈400 mAh g -1 at 0.1 A g -1 , excellent rate capability, and long-term cycling stability. Benefiting from the small nanoparticles, low energy diffusion barrier and highly localized charge-transfer, the Li 3 VO 4 /N-doped carbon nanowires exhibit a high-rate pseudocapacitive behavior. A lithium ion capacitor device based on these Li 3 VO 4 /N-doped carbon nanowires delivers a high energy density of 136.4 Wh kg -1 at a power density of 532 W kg -1 , revealing the potential for application in high-performance and long life energy storage devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Self-pinched lithium beam transport experiments on SABRE
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hanson, D.L.; Olson, C.L.; Poukey, J.W.
Self-pinched transport of ion beams has many advantages for ion-driven ICF applications involving high yield and energy production. The authors are currently preparing for a self-pinched lithium beam transport experiment on the SABRE accelerator. There are three transport elements that must eventually be demonstrated: (1) efficient lithium beam generation and ballistic transport to a focus at the self-pinched transport channel entrance; (2) self-pinched transport in the channel, requiring optimized injection conditions and gas breakdown; and (3) self-pinched transport of the equilibrated beam from the channel into free space, with associated aiming and stability considerations. In the present experiment, a hollowmore » annular lithium beam from an applied-B extraction ion diode will be focused to small radius (r {le} 2 cm) in a 60 cm long ballistic focus section containing argon gas at a pressure of a few Torr. The self-pinched transport channel will contain a low pressure background gas of 10--40 mTorr argon to allow sufficient net current to confine the beam for long distance transport. IPROP simulations are in progress to optimize the design of the ballistic and self-pinched transport sections. Progress on preparation of this lithium self-pinched transport experiment, including a discussion of transport system design, important gas breakdown issues, and diagnostics, will be presented.« less
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Environmental fatigue in aluminum-lithium alloys
NASA Technical Reports Server (NTRS)
Piascik, Robert S.
1992-01-01
Aluminum-lithium alloys exhibit similar environmental fatigue crack growth characteristics compared to conventional 2000 series alloys and are more resistant to environmental fatigue compared to 7000 series alloys. The superior fatigue crack growth behavior of Al-Li alloys 2090, 2091, 8090, and 8091 is due to crack closure caused by tortuous crack path morphology and crack surface corrosion products. At high R and reduced closure, chemical environment effects are pronounced resulting in accelerated near threshold da/dN. The beneficial effects of crack closure are minimized for small cracks resulting in rapid growth rates. Limited data suggest that the 'chemically small crack' effect, observed in other alloy system, is not pronounced in Al-Li alloys. Modeling of environmental fatigue in Al-Li-Cu alloys related accelerated fatigue crack growth in moist air and salt water to hydrogen embrittlement.
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Design and Testing of a Percutaneously Implantable Fetal Pacemaker
Loeb, Gerald E.; Zhou, Li; Zheng, Kaihui; Nicholson, Adriana; Peck, Raymond A.; Krishnan, Anjana; Silka, Michael; Pruetz, Jay; Chmait, Ramen; Bar-Cohen, Yaniv
2012-01-01
We are developing a cardiac pacemaker with a small, cylindrical shape that permits percutaneous implantation into a fetus to treat complete heart block and consequent hydrops fetalis, which can otherwise be fatal. The device uses off-the-shelf components including a rechargeable lithium cell and a highly efficient relaxation oscillator encapsulated in epoxy and glass. A corkscrew electrode made from activated iridium can be screwed into the myocardium, followed by release of the pacemaker and a short, flexible lead entirely within the chest of the fetus to avoid dislodgement from fetal movement. Acute tests in adult rabbits demonstrated the range of electrical parameters required for successful pacing and the feasibility of successfully implanting the device percutaneously under ultrasonic imaging guidance. The lithium cell can be recharged inductively as needed, as indicated by a small decline in the pulsing rate. PMID:22855119
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NASA Astrophysics Data System (ADS)
Ono, K.; Miyamoto, M.; Arakawa, K.; Birtcher, R. C.
2017-09-01
We demonstrate the emission of nanometre-sized defect clusters from an isolated displacement cascade formed by irradiation of high-energy self-ions and their subsequent 1-D motion in Au at 50 K, using in situ electron microscopy. The small defect clusters emitted from a displacement cascade exhibited correlated back-and-forth 1-D motion along the [-1 1 0] direction and coalescence which results in their growth and reduction of their mobility. From the analysis of the random 1-D motion, the diffusivity of the small cluster was evaluated. Correlated 1-D motion and coalescence of clusters were understood via elastic interaction between small clusters. These results provide direct experimental evidence of the migration of small defect clusters and defect cascade evolution at low temperature.
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NASA Astrophysics Data System (ADS)
Moriya, Makoto
2017-12-01
In the development of innovative molecule-based materials, the identification of the structural features in supramolecular solids and the understanding of the correlation between structure and function are important factors. The author investigated the development of supramolecular solid electrolytes by constructing ion conduction paths using a supramolecular hierarchical structure in molecular crystals because the ion conduction path is an attractive key structure due to its ability to generate solid-state ion diffusivity. The obtained molecular crystals exhibited selective lithium ion diffusion via conduction paths consisting of lithium bis(trifluoromethanesulfonyl)amide (LiTFSA) and small molecules such as ether or amine compounds. In the present review, the correlation between the crystal structure and ion conductivity of the obtained molecular crystals is addressed based on the systematic structural control of the ionic conduction paths through the modification of the component molecules. The relationship between the crystal structure and ion conductivity of the molecular crystals provides a guideline for the development of solid electrolytes based on supramolecular solids exhibiting rapid and selective lithium ion conduction.
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NASA Astrophysics Data System (ADS)
Xu, Zhiqiang; Liu, Wei; Yang, Yuanyi; Sun, Lijuan; Deng, Yi; Liao, Li
2017-12-01
In this work, we developed an eco-friendly strategy for preparing Co3O4 nanowires. The process consisted of two steps: controllable synthesis of metal cobalt nanowires followed by a facile air-oxidization step. The 1D nanowire structure with a high aspect ratio was easily achieved via a magnetic-field-assisted self-assembly of cobalt ion complexes during reduction. After air-calcinations, the Co3O4 nanowires were prepared in large scale and ready to be used as the anode material for lithium-ion batteries. The Co3O4 nanowires, which possessed a length ranging from 3 to 8 μm with the aspect ratio more than 15, exhibited a reversible lithium storage capacity up to 790 mAh/g when using a small amount of defect-free graphene flakes as conductive additives. The superior electrochemical performances were ascribable to the synergistic "flat-on" effect between the 1D nanowires and the 2D graphene. Therefore, the Co3O4 nanowire/graphene composite holds promising application for lithium-ion batteries.
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Phase field kinetics of lithium electrodeposits
NASA Astrophysics Data System (ADS)
Ely, David R.; Jana, Aniruddha; García, R. Edwin
2014-12-01
A phase field description is formulated to describe the growth kinetics of an heterogeneously nucleated distribution of lithium electrodeposits. The underlying variational principle includes the bulk electrochemical contributions to the free energy of transformation of the system, the electrolyte-dendrite interfacial energy, and the substrate work of adhesion energetics. Results demonstrate that the rate of electrodeposition at the tip of an isolated dendrite is higher than the rate corresponding to the average overpotential, while the back contact is electrochemically shielded, thus favoring elongated, needle-like shapes. For large populations of electrochemically interacting deposits, two spatially distinct regions of behavior develop: one directly facing the counter-electrode where the local surficial electrodeposition dominates the local kinetics; and a second region, in the vicinity of the substrate-deposit interface, where the electrochemical shielding induced by the tip enables lateral electrochemical lithium exchange dendrite coalescence for small contact angle deposits, and dendrite dewetting and electrodissolution for large contact angle deposits. The underlying physical mechanisms through which some lithium nuclei detach from the depositing substrate, self-induce electrodissolution, while other continue to grow and coalesce are described for different contact angles.
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Zhou, Yanli; Wang, Qi; Zhu, Xiaotao; Jiang, Fuyi
2018-02-28
The three-dimensional (3D) SnS decorated carbon nano-networks (SnS@C) were synthesized via a facile two-step method of freeze-drying combined with post-heat treatment. The lithium and sodium storage performances of above composites acting as anode materials were investigated. As anode materials for lithium ion batteries, a high reversible capacity of 780 mAh·g -1 for SnS@C composites can be obtained at 100 mA·g -1 after 100 cycles. Even cycled at a high current density of 2 A·g -1 , the reversible capacity of this composite can be maintained at 610 mAh·g -1 after 1000 cycles. The initial charge capacity for sodium ion batteries can reach 333 mAh·g -1 , and it retains a reversible capacity of 186 mAh·g -1 at 100 mA·g -1 after 100 cycles. The good lithium or sodium storage performances are likely attributed to the synergistic effects of the conductive carbon nano-networks and small SnS nanoparticles.
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NASA Astrophysics Data System (ADS)
Aetukuri, Nagaphani B.; McCloskey, Bryan D.; García, Jeannette M.; Krupp, Leslie E.; Viswanathan, Venkatasubramanian; Luntz, Alan C.
2015-01-01
Given their high theoretical specific energy, lithium-oxygen batteries have received enormous attention as possible alternatives to current state-of-the-art rechargeable Li-ion batteries. However, the maximum discharge capacity in non-aqueous lithium-oxygen batteries is limited to a small fraction of its theoretical value due to the build-up of insulating lithium peroxide (Li2O2), the battery’s primary discharge product. The discharge capacity can be increased if Li2O2 forms as large toroidal particles rather than as a thin conformal layer. Here, we show that trace amounts of electrolyte additives, such as H2O, enhance the formation of Li2O2 toroids and result in significant improvements in capacity. Our experimental observations and a growth model show that the solvating properties of the additives prompt a solution-based mechanism that is responsible for the growth of Li2O2 toroids. We present a general formalism describing an additive’s tendency to trigger the solution process, providing a rational design route for electrolytes that afford larger lithium-oxygen battery capacities.
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Cheng, Lei; Wu, Cheng Hao; Jarry, Angelique; Chen, Wei; Ye, Yifan; Zhu, Junfa; Kostecki, Robert; Persson, Kristin; Guo, Jinghua; Salmeron, Miquel; Chen, Guoying; Doeff, Marca
2015-08-19
The interfacial resistances of symmetrical lithium cells containing Al-substituted Li7La3Zr2O12 (LLZO) solid electrolytes are sensitive to their microstructures and histories of exposure to air. Air exposure of LLZO samples with large grain sizes (∼150 μm) results in dramatically increased interfacial impedances in cells containing them, compared to those with pristine large-grained samples. In contrast, a much smaller difference is seen between cells with small-grained (∼20 μm) pristine and air-exposed LLZO samples. A combination of soft X-ray absorption (sXAS) and Raman spectroscopy, with probing depths ranging from nanometer to micrometer scales, revealed that the small-grained LLZO pellets are more air-stable than large-grained ones, forming far less surface Li2CO3 under both short- and long-term exposure conditions. Surface sensitive X-ray photoelectron spectroscopy (XPS) indicates that the better chemical stability of the small-grained LLZO is related to differences in the distribution of Al and Li at sample surfaces. Density functional theory calculations show that LLZO can react via two different pathways to form Li2CO3. The first, more rapid, pathway involves a reaction with moisture in air to form LiOH, which subsequently absorbs CO2 to form Li2CO3. The second, slower, pathway involves direct reaction with CO2 and is favored when surface lithium contents are lower, as with the small-grained samples. These observations have important implications for the operation of solid-state lithium batteries containing LLZO because the results suggest that the interfacial impedances of these devices is critically dependent upon specific characteristics of the solid electrolyte and how it is prepared.
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Computational studies of the helium-lithium hydride system
NASA Astrophysics Data System (ADS)
Taylor, Brian Keith
2000-12-01
We have computed an ab initio potential energy surface for the He-LiH system. We compute the He- LiH interaction energy at the CCSD(T) level using large correlation consistent atomic basis sets supplemented with bond functions. To capture the severe anisotropy of the He-LH potential, we interpolate our ab initio points in the angular direction with cubic splines, then expand the splines in terms of Legendre polynomials. We have constructed both a He-LiH rigid rotor potential and a complete He-LiH potential where the LiH bond length is allowed to change. The resulting potential surface has a unique shape. The He- LiH rigid rotor colinear geometry has a very attractive minimum of -176.7 cm-1, while the LiH-He colinear geometry has a local minimum of only -9.8 cm -1. Using our computed He-LiH potential energy surface, we investigate the collision dynamics of He-LiH. Using a totally quantum mechanical treatment of collisions dynamics, we compute both pure rotational and rovibrational state-to-state cross sections. We integrate our rovibrational cross sections over a Maxwell-Boltzmann distribution of energies to obtain temperature dependent vibrational excitation and relaxation rate constants. The vibrational excitation rate constants are very small for temperature below 400 K, but become significant at higher temperatures. These results suggests that He-LiH collisions probably were important in the very early Universe, especially in the larger primordial gas clouds. We also investigate the structure and dynamics of small HeN-LiH clusters using diffusion quantum Monte Carlo techniques. We find that three body effects are negligible, so we take the HeN-LiH potential to be a pairwise additive potential; we use the HFD-B3-FCI1 He-He potential of Aziz and Janzen [R. A. Aziz and A. R. Janzen, Phys. Rev. Lett. 74, 1586 (1995)] and our He-LiH potential. Because of the strong He-LiH attraction, one helium is always located in the attractive well at the lithium end of the LiH.
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Kang, Daniel Hsing Po; Chen, Mengjun; Ogunseitan, Oladele A
2013-05-21
Rechargeable lithium-ion (Li-ion) and lithium-polymer (Li-poly) batteries have recently become dominant in consumer electronic products because of advantages associated with energy density and product longevity. However, the small size of these batteries, the high rate of disposal of consumer products in which they are used, and the lack of uniform regulatory policy on their disposal means that lithium batteries may contribute substantially to environmental pollution and adverse human health impacts due to potentially toxic materials. In this research, we used standardized leaching tests, life-cycle impact assessment (LCIA), and hazard assessment models to evaluate hazardous waste classification, resource depletion potential, and toxicity potentials of lithium batteries used in cellphones. Our results demonstrate that according to U.S. federal regulations, defunct Li-ion batteries are classified hazardous due to their lead (Pb) content (average 6.29 mg/L; σ = 11.1; limit 5). However, according to California regulations, all lithium batteries tested are classified hazardous due to excessive levels of cobalt (average 163,544 mg/kg; σ = 62,897; limit 8000), copper (average 98,694 mg/kg; σ = 28,734; limit 2500), and nickel (average 9525 mg/kg; σ = 11,438; limit 2000). In some of the Li-ion batteries, the leached concentrations of chromium, lead, and thallium exceeded the California regulation limits. The environmental impact associated with resource depletion and human toxicity is mainly associated with cobalt, copper, nickel, thallium, and silver, whereas the ecotoxicity potential is primarily associated with cobalt, copper, nickel, thallium, and silver. However, the relative contribution of aluminum and lithium to human toxicity and ecotoxicity could not be estimated due to insufficient toxicity data in the models. These findings support the need for stronger government policy at the local, national, and international levels to encourage recovery, recycling, and reuse of lithium battery materials.
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Kang, Daniel Hsing Po; Chen, Mengjun; Ogunseitan, Oladele A.
2013-01-01
Rechargeable lithium-ion (Li-ion) and lithium-polymer (Li-poly) batteries have recently become dominant in consumer electronic products because of advantages associated with energy density and product longevity. However, the small size of these batteries, the high rate of disposal of consumer products in which they are used, and the lack of uniform regulatory policy on their disposal means that lithium batteries may contribute substantially to environmental pollution and adverse human health impacts due to potentially toxic materials. In this research, we used standardized leaching tests, life-cycle impact assessment (LCIA), and hazard assessment models to evaluate hazardous waste classification, resource depletion potential, and toxicity potentials of lithium batteries used in cellphones. Our results demonstrate that according to U.S. federal regulations, defunct Li-ion batteries are classified hazardous due to their lead (Pb) content (average 6.29 mg/L; σ = 11.1; limit 5). However, according to California regulations, all lithium batteries tested are classified hazardous due to excessive levels of cobalt (average 163 544 mg/kg; σ = 62 897; limit 8000), copper (average 98 694 mg/kg; σ = 28 734; limit 2500), and nickel (average 9525 mg/kg; σ = 11 438; limit 2000). In some of the Li-ion batteries, the leached concentrations of chromium, lead, and thallium exceeded the California regulation limits. The environmental impact associated with resource depletion and human toxicity is mainly associated with cobalt, copper, nickel, thallium, and silver, whereas the ecotoxicity potential is primarily associated with cobalt, copper, nickel, thallium, and silver. However, the relative contribution of aluminum and lithium to human toxicity and ecotoxicity could not be estimated due to insufficient toxicity data in the models. These findings support the need for stronger government policy at the local, national, and international levels to encourage recovery, recycling, and reuse of lithium battery materials. PMID:23638841
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Donoso, Roberto; Fuentealba, Patricio, E-mail: pfuentea@hotmail.es, E-mail: cardena@macul.ciencias.uchile.cl; Cárdenas, Carlos, E-mail: pfuentea@hotmail.es, E-mail: cardena@macul.ciencias.uchile.cl
In this work, a model to explain the unusual stability of atomic lithium clusters in their highest spin multiplicity is presented and used to describe the ferromagnetic bonding of high-spin Li{sub 10} and Li{sub 8} clusters. The model associates the (lack of-)fitness of Heisenberg Hamiltonian with the degree of (de-)localization of the valence electrons in the cluster. It is shown that a regular Heisenberg Hamiltonian with four coupling constants cannot fully explain the energy of the different spin states. However, a more simple model in which electrons are located not at the position of the nuclei but at the positionmore » of the attractors of the electron localization function succeeds in explaining the energy spectrum and, at the same time, explains the ferromagnetic bond found by Shaik using arguments of valence bond theory. In this way, two different points of view, one more often used in physics, the Heisenberg model, and the other in chemistry, valence bond, come to the same answer to explain those atypical bonds.« less
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NASA Astrophysics Data System (ADS)
Curotto, E.
2015-12-01
Structural optimizations, classical NVT ensemble, and variational Monte Carlo simulations of ion Stockmayer clusters parameterized to approximate the Li+(CH3NO2)n (n = 1-20) systems are performed. The Metropolis algorithm enhanced by the parallel tempering strategy is used to measure internal energies and heat capacities, and a parallel version of the genetic algorithm is employed to obtain the most important minima. The first solvation sheath is octahedral and this feature remains the dominant theme in the structure of clusters with n ≥ 6. The first "magic number" is identified using the adiabatic solvent dissociation energy, and it marks the completion of the second solvation layer for the lithium ion-nitromethane clusters. It corresponds to the n = 18 system, a solvated ion with the first sheath having octahedral symmetry, weakly bound to an eight-membered and a four-membered ring crowning a vertex of the octahedron. Variational Monte Carlo estimates of the adiabatic solvent dissociation energy reveal that quantum effects further enhance the stability of the n = 18 system relative to its neighbors.
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NASA Astrophysics Data System (ADS)
Liang, Wenjuan; Jia, Jianfeng; Lv, Jin; Wu, Haishun
2015-02-01
The geometrical structure and magnetic properties of M1-4(M = Fe, Co and Ni) clusters within a (BN)48 cage were calculated at the BPW91/LanL2DZ level. The small M1-4 clusters generally prefer an off-centered position near the hexagonal rings in the (BN)48 cages. The (BN)48 cages can increase the stability of these small magnetic clusters while protecting the magnetic nature of M and M2 clusters.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Bhaway, Sarang M.; Qiang, Zhe; Xia, Yanfeng
Emergent lithium-ion (Li +) batteries commonly rely on nanostructuring of the active electrode materials to decrease the Li + ion diffusion path length and to accommodate the strains associated with the insertion and de-insertion of Li +, but in many cases these nanostructures evolve during electrochemical charging–discharging. This change in the nanostructure can adversely impact performance, and challenges remain regarding how to control these changes from the perspective of morphological design. In order to address these questions, operando grazing-incidence small-angle X-ray scattering and X-ray diffraction (GISAXS/GIXD) were used to assess the structural evolution of a family of model ordered mesoporousmore » NiCo 2O 4 anode films during battery operation. The pore dimensions were systematically varied and appear to impact the stability of the ordered nanostructure during the cycling. For the anodes with small mesopores (≈9 nm), the ordered nanostructure collapses during the first two charge–discharge cycles, as determined from GISAXS. This collapse is accompanied by irreversible Li-ion insertion within the oxide framework, determined from GIXD and irreversible capacity loss. Anodes with larger ordered mesopores (17–28 nm) mostly maintained their nanostructure through the first two cycles with reversible Li-ion insertion. During the second cycle, there was a small additional deformation of the mesostructure. Furthermore, this preservation of the ordered structure lead to significant improvement in capacity retention during these first two cycles; but, a gradual loss in the ordered nanostructure from continuing deformation of the ordered structure during additional charge–discharge cycles leads to capacity decay in battery performance. We translate these multiscale operando measurements provide insight into how changes at the atomic scale (lithium insertion and de-insertion) to the nanostructure during battery operation. Moreover, small changes in the nanostructure can build up to significant morphological transformations that adversely impact battery performance through multiple charge–discharge cycles.« less
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Bhaway, Sarang M.; Qiang, Zhe; Xia, Yanfeng; ...
2017-02-07
Emergent lithium-ion (Li +) batteries commonly rely on nanostructuring of the active electrode materials to decrease the Li + ion diffusion path length and to accommodate the strains associated with the insertion and de-insertion of Li +, but in many cases these nanostructures evolve during electrochemical charging–discharging. This change in the nanostructure can adversely impact performance, and challenges remain regarding how to control these changes from the perspective of morphological design. In order to address these questions, operando grazing-incidence small-angle X-ray scattering and X-ray diffraction (GISAXS/GIXD) were used to assess the structural evolution of a family of model ordered mesoporousmore » NiCo 2O 4 anode films during battery operation. The pore dimensions were systematically varied and appear to impact the stability of the ordered nanostructure during the cycling. For the anodes with small mesopores (≈9 nm), the ordered nanostructure collapses during the first two charge–discharge cycles, as determined from GISAXS. This collapse is accompanied by irreversible Li-ion insertion within the oxide framework, determined from GIXD and irreversible capacity loss. Anodes with larger ordered mesopores (17–28 nm) mostly maintained their nanostructure through the first two cycles with reversible Li-ion insertion. During the second cycle, there was a small additional deformation of the mesostructure. Furthermore, this preservation of the ordered structure lead to significant improvement in capacity retention during these first two cycles; but, a gradual loss in the ordered nanostructure from continuing deformation of the ordered structure during additional charge–discharge cycles leads to capacity decay in battery performance. We translate these multiscale operando measurements provide insight into how changes at the atomic scale (lithium insertion and de-insertion) to the nanostructure during battery operation. Moreover, small changes in the nanostructure can build up to significant morphological transformations that adversely impact battery performance through multiple charge–discharge cycles.« less
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Bhaway, Sarang M; Qiang, Zhe; Xia, Yanfeng; Xia, Xuhui; Lee, Byeongdu; Yager, Kevin G; Zhang, Lihua; Kisslinger, Kim; Chen, Yu-Ming; Liu, Kewei; Zhu, Yu; Vogt, Bryan D
2017-02-28
Emergent lithium-ion (Li + ) batteries commonly rely on nanostructuring of the active electrode materials to decrease the Li + ion diffusion path length and to accommodate the strains associated with the insertion and de-insertion of Li + , but in many cases these nanostructures evolve during electrochemical charging-discharging. This change in the nanostructure can adversely impact performance, and challenges remain regarding how to control these changes from the perspective of morphological design. In order to address these questions, operando grazing-incidence small-angle X-ray scattering and X-ray diffraction (GISAXS/GIXD) were used to assess the structural evolution of a family of model ordered mesoporous NiCo 2 O 4 anode films during battery operation. The pore dimensions were systematically varied and appear to impact the stability of the ordered nanostructure during the cycling. For the anodes with small mesopores (≈9 nm), the ordered nanostructure collapses during the first two charge-discharge cycles, as determined from GISAXS. This collapse is accompanied by irreversible Li-ion insertion within the oxide framework, determined from GIXD and irreversible capacity loss. Conversely, anodes with larger ordered mesopores (17-28 nm) mostly maintained their nanostructure through the first two cycles with reversible Li-ion insertion. During the second cycle, there was a small additional deformation of the mesostructure. This preservation of the ordered structure lead to significant improvement in capacity retention during these first two cycles; however, a gradual loss in the ordered nanostructure from continuing deformation of the ordered structure during additional charge-discharge cycles leads to capacity decay in battery performance. These multiscale operando measurements provide insight into how changes at the atomic scale (lithium insertion and de-insertion) are translated to the nanostructure during battery operation. Moreover, small changes in the nanostructure can build up to significant morphological transformations that adversely impact battery performance through multiple charge-discharge cycles.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Xia, Liangzhi, E-mail: 15004110853@163.com; Liu, Qing
2016-12-15
Density Functional Theory (DFT) combines with grand canonical Monte Carlo (GCMC) simulations are performed to explore the effect of Li doping on the hydrogen storage capability of COF-320. The results show that the interaction energy between the H{sub 2} and the Li-doped COF-320 is about three times higher than that of pristine COF-320. GCMC simulations are employed to study the hydrogen uptake of Li-doped COF-320 at ambient temperature, further confirm that the lithium doping can improve the hydrogen uptake at ambient temperature. Our results demonstrate that Li-doped COFs have good potential in the field of hydrogen storage. - Graphical abstract:more » Fig. 1. The optimized cluster model used here to represent the COF-320 and possible adsorption sites (A, B, C) for adsorption of metals in the COF-320. The dangling bonds are terminated by H atoms. C, H, and N atoms are shown as gray, white, and blue colors, respectively. Fig. 2. The adsorption isotherm of H{sub 2} in the pristine and Li-doped COF-320 at 298 K. - Highlights: • The binding sites of single and two lithium atoms in COF-320 were studied. • The interaction energy between the H{sub 2} and the Li-doped COF-320 is about three times higher than that of pristine COF-320. • H{sub 2} uptakes on the Li-doped COFs obtain significant improvement at ambient temperature. • Lithium-doping is a successful strategy for improving hydrogen uptake.« less
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Liu, Yuanyue; Wang, Y. Morris; Yakobson, Boris I.; ...
2014-07-11
Many key performance characteristics of carbon-based lithium-ion battery anodes are largely determined by the strength of binding between lithium (Li) and sp 2 carbon (C), which can vary significantly with subtle changes in substrate structure, chemistry, and morphology. We use density functional theory calculations to investigate the interactions of Li with a wide variety of sp 2 C substrates, including pristine, defective, and strained graphene, planar C clusters, nanotubes, C edges, and multilayer stacks. In almost all cases, we find a universal linear relation between the Li-C binding energy and the work required to fill previously unoccupied electronic states withinmore » the substrate. This suggests that Li capacity is predominantly determined by two key factors—namely, intrinsic quantum capacitance limitations and the absolute placement of the Fermi level. This simple descriptor allows for straightforward prediction of the Li-C binding energy and related battery characteristics in candidate C materials based solely on the substrate electronic structure. It further suggests specific guidelines for designing more effective C-based anodes. Furthermore, this method should be broadly applicable to charge-transfer adsorption on planar substrates, and provides a phenomenological connection to established principles in supercapacitor and catalyst design.« less
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A multi-physics study of Li-ion battery material Li1+xTi2O4
NASA Astrophysics Data System (ADS)
Jiang, Tonghu; Falk, Michael; Siva Shankar Rudraraju, Krishna; Garikipati, Krishna; van der Ven, Anton
2013-03-01
Recently, lithium ion batteries have been subject to intense scientific study due to growing demand arising from their utilization in portable electronics, electric vehicles and other applications. Most cathode materials in lithium ion batteries involve a two-phase process during charging and discharging, and the rate of these processes is typically limited by the slow interface mobility. We have undertaken modeling regarding how lithium diffusion in the interface region affects the motion of the phase boundary. We have developed a multi-physics computational method suitable for predicting time evolution of the driven interface. In this method, we calculate formation energies and migration energy barriers by ab initio methods, which are then approximated by cluster expansions. Monte Carlo calculation is further employed to obtain thermodynamic and kinetic information, e.g., anisotropic interfacial energies, and mobilities, which are used to parameterize continuum modeling of the charging and discharging processes. We test this methodology on spinel Li1+xTi2O4. Elastic effects are incorporated into the calculations to determine the effect of variations in modulus and strain on stress concentrations and failure modes within the material. We acknowledge support by the National Science Foundation Cyber Discovery and Innovation Program under Award No. 1027765.
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Composite Solid Electrolyte For Lithium Cells
NASA Technical Reports Server (NTRS)
Peled, Emmanuel; Nagasubramanian, Ganesan; Halpert, Gerald; Attia, Alan I.
1994-01-01
Composite solid electrolyte material consists of very small particles, each coated with thin layer of Lil, bonded together with polymer electrolyte or other organic binder. Material offers significant advantages over other solid electrolytes in lithium cells and batteries. Features include high ionic conductivity and strength. Composite solid electrolyte expected to exhibit flexibility of polymeric electrolytes. Polymer in composite solid electrolyte serves two purposes: used as binder alone, conduction taking place only in AI2O3 particles coated with solid Lil; or used as both binder and polymeric electrolyte, providing ionic conductivity between solid particles that it binds together.
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Missey, M; Dominic, V; Powers, P; Schepler, K L
2000-02-15
We used elliptical beams to demonstrate aperture scaling effects in nanosecond single-grating and multigrating periodically poled lithium niobate (PPLN) monolithic optical parametric oscillators and generators. Increasing the cavity Fresnel number in single-grating crystals broadened both the beam divergence and the spectral bandwidth. Both effects are explained in terms of the phase-matching geometry. These effects are suppressed when a multigrating PPLN crystal is used because the individual gratings provide small effective subapertures. A flood-pumped multigrating optical parametric generator displayed a low output beam divergence and contained 19 pairs of signal and idler frequencies.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Wang, Jie; Wu, Jianzhong; Wu, Zexing
In this paper, 3D-transition binary metal oxides have been considered as promising anode materials for lithium-ion batteries with improved reversible capacity, structural stability and electronic conductivity compared with single metal oxides. Here, carbon nanotube supported NiCo 2O 4 nanoparticles (NiCo 2O 4/CNT) with 3D hierarchical hollow structure are fabricated via a simple one-pot method. The NiCo 2O 4 nanoparticles with interconnected pores are consists of small nanocrystals. When used as anode material for the lithium-ion battery, NiCo 2O 4/CNT exhibits enhanced electrochemical performance than that of Co 3O 4/CNT and NiO/CNT. Moreover, ultra-high discharge/charge stability was obtained for 4000 cyclesmore » at a current density of 5 A g –1. The superior battery performance of NiCo 2O 4 nanoparticles is probably attributed to the special structural features and physical characteristics, including integrity, hollow structure with interconnected pores, which providing sufficient accommodation for the volume change during charge/discharge process. Besides, the consisting of ultra-small crystals enhanced the utility of active material, and intimate interaction with CNTs improved the electron-transfer rate.« less
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Wang, Jie; Wu, Jianzhong; Wu, Zexing; ...
2017-05-17
In this paper, 3D-transition binary metal oxides have been considered as promising anode materials for lithium-ion batteries with improved reversible capacity, structural stability and electronic conductivity compared with single metal oxides. Here, carbon nanotube supported NiCo 2O 4 nanoparticles (NiCo 2O 4/CNT) with 3D hierarchical hollow structure are fabricated via a simple one-pot method. The NiCo 2O 4 nanoparticles with interconnected pores are consists of small nanocrystals. When used as anode material for the lithium-ion battery, NiCo 2O 4/CNT exhibits enhanced electrochemical performance than that of Co 3O 4/CNT and NiO/CNT. Moreover, ultra-high discharge/charge stability was obtained for 4000 cyclesmore » at a current density of 5 A g –1. The superior battery performance of NiCo 2O 4 nanoparticles is probably attributed to the special structural features and physical characteristics, including integrity, hollow structure with interconnected pores, which providing sufficient accommodation for the volume change during charge/discharge process. Besides, the consisting of ultra-small crystals enhanced the utility of active material, and intimate interaction with CNTs improved the electron-transfer rate.« less
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Non-Isothermal Calorimetric Studies of the Crystallization of Lithium Disilicate Glass
NASA Technical Reports Server (NTRS)
Ray, C. S.; Day, D. E.; Huang, W.; Narayan, K. Lakshmi; Cull, T. S.; Kelton, K. F.
1996-01-01
The influence of preannealing treatments on the polymorphic crystallization of lithium disilicate glasses is examined. As expected, glasses heated at different rates through the temperature range where there is significant nucleation develop widely different numbers of nuclei. This can dramatically influence the stability and transformation characteristics of the annealed glass. Non-isothermal differential scanning calorimetry (DSC) and differential thermal analysis (DTA) measurements are demonstrated to be useful to probe the nucleation behavior. The first systematic investigations of particle size effects on the non-isothermal transformation behavior are presented and discussed. Based on DTA and microscopy experiments, we show that small particles of lithium disilicate glasses crystallize primarily by surface crystallization. The relative importance of surface versus volume crystallization is examined by varying particle size, by introducing nucleating agents and by exposing glasses to atmospheres of different water content. These data are analyzed quantitatively using a numerical model developed in a second paper following in this volume.
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Molten Salt Electrolytically Produced Carbon/Tin Nanomaterial as the Anode in a Lithium Ion Battery
NASA Astrophysics Data System (ADS)
Das Gupta, Rajshekar; Schwandt, Carsten; Fray, Derek J.
2017-03-01
A carbon/tin nanomaterial, consisting of predominantly Sn-filled carbon nanotubes and nanoparticles, is prepared by molten salt electrochemistry, using electrodes of graphite and an electrolyte of LiCl salt containing a small admixture of SnCl2. The C/Sn hybrid material generated is incorporated into the active anode material of a lithium ion battery and tested with regard to storage capacity and cycling behavior. The results demonstrate that the C/Sn material has favorable properties, in terms of energy density and in particular long-term stability, that exceed those of the individual components alone. The initial irreversible capacity of the material is somewhat larger than that of conventional battery graphite which is due to its unique nanostructure. Overall the results would indicate the suitability of this material for use in the anodes of lithium ion batteries with high rate capability.
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NASA Astrophysics Data System (ADS)
Rosaiah, P.; Hussain, O. M.; Zhu, Jinghui; Qiu, Yejun
2017-08-01
Lithium iron phosphate (Li x FePO4) is synthesized by a solid-state reaction method. The structural, electrical and electrochemical properties are studied in detail. It is found that the increment of lithium concentration (up to x = 1.05) does not affect the structure of LiFePO4 but improves its electrical conductivity as well as electrochemical performance. Surface morphological studies exhibited the formation of rod-like nanoparticles with small size. Electric and dielectric properties are also investigated over a frequency range of 1 Hz-1 MHz at different temperatures. The conductivity increased with increasing temperature, which follows the Arrhenius relation with the activation energy of about 0.31 eV. And the electrochemical tests found that the Li1.05FePO4 cathode possessed improved discharge capacity with better cycling performance.
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Rutile TiO2 Mesocrystals as Sulfur Host for High-Performance Lithium-Sulfur Batteries.
Sun, Qingqing; Chen, Kaixiang; Liu, Yubin; Li, Yafeng; Wei, Mingdeng
2017-11-16
Although lithium-sulfur (Li-S) batteries are among the most promising rechargeable batteries in the field of energy-storage devices, their poor cycling performance restricts their potential applications. Polar materials can improve the cycling stability owing to their inherent strong chemical interaction with polysulfides. Herein, novel rutile TiO 2 mesocrystals (RTMs) are employed as the host for sulfur in Li-S batteries; the RTMs display a stable cycling performance with a capacity retention of 64 % and a small average capacity decay rate of 0.12 % per cycle over 300 cycles at 1 C rate. The good electrochemical properties are attributed to the interior ordered nanopores of the RTMs, which can effectively limit the dissolution of polysulfides, and the ultrafine nanowires in RTMs, which shorten the path for lithium-ion transport effectively. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Nonflammable gel electrolyte containing alkyl phosphate for rechargeable lithium batteries
NASA Astrophysics Data System (ADS)
Yoshimoto, Nobuko; Niida, Yoshihiro; Egashira, Minato; Morita, Masayuki
A nonflammable polymeric gel electrolyte has been developed for rechargeable lithium battery systems. The gel film consists of poly(vinylidenefluoride- co-hexafluoropropylene) (PVdF-HFP) swollen with lithium hexafluorophosphate (LiPF 6) solution in ternary solvent containing trimethyl phosphate (TMP). High ionic conductivity of 6.2 mS cm -1 at 20 °C was obtained for the gel electrolyte consisting of 0.8 M LiPF 6/EC + DEC + TMP (55:25:20) with PVdF-HFP, which is comparable to that of the liquid electrolyte containing the same electrolytic salt. Addition of a small amount of vinylene carbonate (VC) in the gel electrolyte improved the rechargeability of a graphite electrode. The rechargeable capacity of the graphite in the gel containing VC was ca. 300 mAh g -1, which is almost the same as that in a conventional liquid electrolyte system.
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Lithium Niobate Whispering Gallery Resonators: Applications and Fundamental Studies
NASA Astrophysics Data System (ADS)
Maleki, L.; Matsko, A. B.
Optical whispering gallery modes (WGMs) are closed circulating electromagnetic waves undergoing total internal reflection inside an axio-symmetric body of a transparent dielectric that forms a resonator. Radiative losses are negligible in these modes if the radius of the resonator exceeds several tens of wavelengths, and surface scattering losses can be made small with surface conditioning techniques. Thus, the quality factor (Q) in crystalline WGM resonators is limited by material losses that are, nevertheless, extremely small in optical materials. WGM resonators made of LiNbO3 have been successfully used in optics and microwave photonics. The resonators are characterized by narrow bandwidth, in the hundred kilohertz to gigahertz range. A proper choice of highly transparent and/or nonlinear resonator material, like lithium niobate, allows for realization of a number of high performance devices: tunable and multi-pole filters, resonant electro-optic modulators, photonic microwave receivers, opto-electronic microwave oscillators, and parametric frequency converters, among others.
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Oedegaard, Ketil J; Alda, Martin; Anand, Anit; Andreassen, Ole A; Balaraman, Yokesh; Berrettini, Wade H; Bhattacharjee, Abesh; Brennand, Kristen J; Burdick, Katherine E; Calabrese, Joseph R; Calkin, Cynthia V; Claasen, Ana; Coryell, William H; Craig, David; DeModena, Anna; Frye, Mark; Gage, Fred H; Gao, Keming; Garnham, Julie; Gershon, Elliot; Jakobsen, Petter; Leckband, Susan G; McCarthy, Michael J; McInnis, Melvin G; Maihofer, Adam X; Mertens, Jerome; Morken, Gunnar; Nievergelt, Caroline M; Nurnberger, John; Pham, Son; Schoeyen, Helle; Shekhtman, Tatyana; Shilling, Paul D; Szelinger, Szabolcs; Tarwater, Bruce; Yao, Jun; Zandi, Peter P; Kelsoe, John R
2016-05-05
Bipolar disorder is a serious and common psychiatric disorder characterized by manic and depressive mood switches and a relapsing and remitting course. The cornerstone of clinical management is stabilization and prophylaxis using mood-stabilizing medications to reduce both manic and depressive symptoms. Lithium remains the gold standard of treatment with the strongest data for both efficacy and suicide prevention. However, many patients do not respond to this medication, and clinically there is a great need for tools to aid the clinician in selecting the correct treatment. Large genome wide association studies (GWAS) investigating retrospectively the effect of lithium response are in the pipeline; however, few large prospective studies on genetic predictors to of lithium response have yet been conducted. The purpose of this project is to identify genes that are associated with lithium response in a large prospective cohort of bipolar patients and to better understand the mechanism of action of lithium and the variation in the genome that influences clinical response. This study is an 11-site prospective non-randomized open trial of lithium designed to ascertain a cohort of 700 subjects with bipolar I disorder who experience protocol-defined relapse prevention as a result of treatment with lithium monotherapy. All patients will be diagnosed using the Diagnostic Interview for Genetic Studies (DIGS) and will then enter a 2-year follow-up period on lithium monotherapy if and when they exhibit a score of 1 (normal, not ill), 2 (minimally ill) or 3 (mildly ill) on the Clinical Global Impressions of Severity Scale for Bipolar Disorder (CGI-S-BP Overall Bipolar Illness) for 4 of the 5 preceding weeks. Lithium will be titrated as clinically appropriate, not to exceed serum levels of 1.2 mEq/L. The sample will be evaluated longitudinally using a wide range of clinical scales, cognitive assessments and laboratory tests. On relapse, patients will be discontinued or crossed-over to treatment with valproic acid (VPA) or treatment as usual (TAU). Relapse is defined as a DSM-IV manic, major depressive or mixed episode or if the treating physician decides a change in medication is clinically necessary. The sample will be genotyped for GWAS. The outcome for lithium response will be analyzed as a time to event, where the event is defined as clinical relapse, using a Cox Proportional Hazards model. Positive single nucleotide polymorphisms (SNPs) from past genetic retrospective studies of lithium response, the Consortium on Lithium Genetics (ConLiGen), will be tested in this prospective study sample; a meta-analysis of these samples will then be performed. Finally, neurons will be derived from pluripotent stem cells from lithium responders and non-responders and tested in vivo for response to lithium by gene expression studies. SNPs in genes identified in these cellular studies will also be tested for association to response. Lithium is an extraordinarily important therapeutic drug in the clinical management of patients suffering from bipolar disorder. However, a significant proportion of patients, 30-40 %, fail to respond, and there is currently no method to identify the good lithium responders before initiation of treatment. Converging evidence suggests that genetic factors play a strong role in the variation of response to lithium, but only a few genes have been tested and the samples have largely been retrospective or quite small. The current study will collect an entirely unique sample of 700 patients with bipolar disorder to be stabilized on lithium monotherapy and followed for up to 2 years. This study will produce useful information to improve the understanding of the mechanism of action of lithium and will add to the development of a method to predict individual response to lithium, thereby accelerating recovery and reducing suffering and cost. ClinicalTrials.gov Identifier: NCT01272531 Registered: January 6, 2011.
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Small-scale Conformity of the Virgo Cluster Galaxies
NASA Astrophysics Data System (ADS)
Lee, Hye-Ran; Lee, Joon Hyeop; Jeong, Hyunjin; Park, Byeong-Gon
2016-06-01
We investigate the small-scale conformity in color between bright galaxies and their faint companions in the Virgo Cluster. Cluster member galaxies are spectroscopically determined using the Extended Virgo Cluster Catalog and the Sloan Digital Sky Survey Data Release 12. We find that the luminosity-weighted mean color of faint galaxies depends on the color of adjacent bright galaxy as well as on the cluster-scale environment (gravitational potential index). From this result for the entire area of the Virgo Cluster, it is not distinguishable whether the small-scale conformity is genuine or if it is artificially produced due to cluster-scale variation of galaxy color. To disentangle this degeneracy, we divide the Virgo Cluster area into three sub-areas so that the cluster-scale environmental dependence is minimized: A1 (central), A2 (intermediate), and A3 (outermost). We find conformity in color between bright galaxies and their faint companions (color-color slope significance S ˜ 2.73σ and correlation coefficient {cc}˜ 0.50) in A2, where the cluster-scale environmental dependence is almost negligible. On the other hand, the conformity is not significant or very marginal (S ˜ 1.75σ and {cc}˜ 0.27) in A1. The conformity is not significant either in A3 (S ˜ 1.59σ and {cc}˜ 0.44), but the sample size is too small in this area. These results are consistent with a scenario in which the small-scale conformity in a cluster is a vestige of infallen groups and these groups lose conformity as they come closer to the cluster center.
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NASA Astrophysics Data System (ADS)
Frasca, A.; Guillout, P.; Klutsch, A.; Ferrero, R. Freire; Marilli, E.; Biazzo, K.; Gandolfi, D.; Montes, D.
2018-05-01
Context. Star formation in the solar neighborhood is mainly traced by young stars in open clusters, associations, and in the field, which can be identified, for example, by their X-ray emission. The determination of stellar parameters for the optical counterparts of X-ray sources is crucial for a full characterization of these stars. Aims: This work extends the spectroscopic study of the RasTyc sample, obtained by the cross-correlation of the Tycho and ROSAT All-Sky Survey catalogs, to stars fainter than V = 9.5 mag and aims to identify sparse populations of young stars in the solar neighborhood. Methods: We acquired 625 high-resolution spectra for 443 presumably young stars with four different instruments in the northern hemisphere. The radial and rotational velocity (vsini) of our targets were measured by means of the cross-correlation technique, which is also helpful to discover single-lined (SB1), double-lined spectroscopic binaries (SB2), and multiple systems. We used the code ROTFIT to perform an MK spectral classification and to determine the atmospheric parameters (Teff, logg, [Fe/H]) and vsini of the single stars and SB1 systems. For these objects, we used the spectral subtraction of slowly rotating templates to measure the equivalent widths of the Hα and Li I 6708 Å lines, which enabled us to derive their chromospheric activity level and lithium abundance. We made use of Gaia DR1 parallaxes and proper motions to locate the targets in the Hertzsprung-Russell (HR) diagram and to compute the space velocity components of the youngest objects. Results: We find a remarkable percentage (at least 35%) of binaries and multiple systems. On the basis of the lithium abundance, the sample of single stars and SB1 systems appears to be mostly ( 60%) composed of stars younger than the members of the UMa cluster. The remaining sources are in the age range between the UMa and Hyades clusters ( 20%) or older ( 20%). In total, we identify 42 very young (PMS-like) stars, which lie above or very close to the Pleiades upper envelope of the lithium abundance. A significant percentage ( 12%) of evolved stars (giants and subgiants) is also present in our sample. Some of these stars ( 36%) are also lithium rich (A(Li) > 1.4). Based on observations collected at the Italian Telescopio Nazionale Galileo (TNG) operated by the Fundacion Galileo Galilei - INAF (Canary Islands, Spain), at the Observatoire de Haute Provence (OHP, France), and the Osservatorio Astrofisico di Catania (OAC, Italy)Tables A.1-A.4 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/12/A96Rubens Freire Ferrero passed away on September 10, 2015.
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Mechanical Deformation of a Lithium-Metal Anode Due to a Very Stiff Separator
DOE Office of Scientific and Technical Information (OSTI.GOV)
Ferrese, A; Newman, J
2014-05-21
This work builds on the two-dimensional model presented by Ferrese et al. [J. Electrochem. Soc., 159, A1615 (2012)1, which captures the movement of lithium metal at the negative electrode during cycling in a Li-metal/LiCoO2 cell. In this paper, the separator is modeled as a dendrite-inhibiting polymer separator with an elastic modulus of 16 GPa. The separator resists the movement of lithium through the generation of stresses in the cell. These stresses affect the negative electrode through two mechanisms altering the thermodynamics of the negative electrode and deforming the negative electrode mechanically. From this analysis, we find that the dendrite-inhibiting separatormore » causes plastic and elastic deformation of the lithium at the negative electrode which flattens the electrode considerably when compared to the liquid-electrolyte case. This flattening of the negative electrode causes only very slight differences in the local state of charge in the positive electrode. When comparing the magnitude of the effects flattening the negative electrode, we find that the plastic deformation plays a much larger role than either the pressure-modified reaction kinetics or elastic deformation. This is due to the low yield strength of the lithium metal, which limits the stresses such that they have only a small effect on the reaction kinetics. (C) 2014 The Electrochemical Society. All rights reserved.« less
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Determining the maximum charging currents of lithium-ion cells for small charge quantities
NASA Astrophysics Data System (ADS)
Grimsmann, F.; Gerbert, T.; Brauchle, F.; Gruhle, A.; Parisi, J.; Knipper, M.
2017-10-01
In order to optimize the operating parameters of battery management systems for electric and hybrid vehicles, great interest has been shown in achieving the maximum permissible charging currents during recuperation, without causing a cell damage due to lithium plating, in relation to the temperature, charge quantity and state of charge. One method for determining these recuperation currents is measuring the cell thickness, where excessively high charging currents can be detected by an irreversible increase in thickness. It is not possible to measure particularly small charge quantities by employing mechanic dial indicators, which have a limited resolution of 1 μm. This is why we developed a measuring setup that has a resolution limit of less than 10 nm using a high-resolution contactless inductance sensor. Our results show that the permissible charging current I can be approximated in relation to the charge quantity x by a correlating function I =a /√{(x) } which is compliant with the Arrhenius law. Small charge quantities therefore have an optimization potential for energy recovery during recuperation.
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NASA Astrophysics Data System (ADS)
Saburo, Tanaka; Tomohiro, Akai; Makoto, Takemoto; Yoshimi, Hatsukade; Takeyoshi, Ohtani; Yoshio, Ikeda; Shuichi, Suzuki
2010-08-01
We develop magnetic metallic contaminant detectors using high-temperature superconducting quantum interference devices (HTS-SQUIDs) for industrial products. Finding ultra-small metallic contaminants is an important issue for manufacturers producing commercial products such as lithium ion batteries. If such contaminants cause damages, the manufacturer of the product suffers a big financial loss due to having to recall the faulty products. Previously, we described a system for finding such ultra-small particles in food. In this study, we describe further developments of the system, for the reduction of the effect of the remnant field of the products, and we test the parallel magnetization of the products to generate the remnant field only at both ends of the products. In addition, we use an SQUID gradiometer in place of the magnetometer to reduce the edge effect by measuring the magnetic field gradient. We test the performances of the system and find that tiny iron particles as small as 50 × 50 μm2 on the electrode of a lithium ion battery could be clearly detected. This detection level is difficult to achieve when using other methods.
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VizieR Online Data Catalog: WOCS. LXXV. Hyades&Praesepe stellar lithium data (Cummings+, 2017)
NASA Astrophysics Data System (ADS)
Cummings, J. D.; Deliyannis, C. P.; Maderak, R. M.; Steinhauer, A.
2018-05-01
The Hyades and Praesepe open star clusters were both observed using the Hydra multi-object spectrograph on the WIYN 3.5-meter telescope using the 316@63.4 echelle grating in order 8 with the X19 filter. The spectra span from 6450 to 6850 Å. All Hyades stars and a majority of Praesepe stars were observed with blue cable, which yielded R~13600. The remaining Praesepe stars were observed with the red cable, which yielded a moderately higher R~17600. The Hyades data were acquired over seven nights from 2009 February 2 to 23. Using two red-cable configurations, we obtained spectra of 34 Praesepe candidate cluster members on 1997 November 16 and 18. Using seven blue cable configurations, we obtained spectra of 66 candidate cluster members during seven nights on 2001 December 2; 2005 May 1 and 2; 2006 January 25 and 26; and 2006 February 2 and 3. (2 data files).
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Klimenko, N.M.; Musaev, D.G.; Gorbik, A.A.
Nonempirical Hartree-Fock calculations of the geometric and relative energetic characteristics of linear ALi/sub 2/ molecules and square ALi/sub 4/ molecules, where A = Be, Mg, Ca, and Zn, have been performed. The results for BeLi/sup +/, BeLi/sup 2/, BeLi/sub 4/, and MgLi/sub 2/ have been refined with consideration of the electron correlation in the framework of the theory of self-consistent electron pairs (SCEP). It has been shown that the stability of ALi/sub 2k/ increases with increasing size of the cluster and that the energy of the singlet-triplet transitions does not exceed 0.5-1.5 eV in all cases. The interactions between themore » atoms in the clusters have a cooperative character: the overlapping Q(Li-Li) between the Li atoms is no less significant than the overlapping Q(A-Li) between the Li atoms and the central atom A.« less
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Cho, Sung Man; Shim, Jimin; Cho, Sung Ho; Kim, Jiwoong; Son, Byung Dae; Lee, Jong-Chan; Yoon, Woo Young
2018-05-09
As interest in electric vehicles and mass energy storage systems continues to grow, Li-O 2 batteries are attracting much attention as a candidate for next-generation energy storage systems owing to their high energy density. However, safety problems related to the use of lithium metal anodes have hampered the commercialization of Li-O 2 batteries. Herein, we introduced a quasi-solid polymer electrolyte with excellent electrochemical, chemical, and thermal stabilities into Li-O 2 batteries. The ion-conducting QSPE was prepared by gelling a polymer network matrix consisting of poly(ethylene glycol) methyl ether methacrylate, methacrylated tannic acid, lithium trifluoromethanesulfonate, and nanofumed silica with a small amount of liquid electrolyte. The quasi-solid-state Li-O 2 cell consisted of a lithium powder anode, a quasi-solid polymer electrolyte, and a Pd 3 Co/multiwalled carbon nanotube cathode, which enhanced the electrochemical performance of the cell. This cell, which exhibited improved safety owing to the suppression of lithium dendrite growth, achieved a lifetime of 125 cycles at room temperature. These results show that the introduction of a quasi-solid electrolyte is a potentially new alternative for the commercialization of solid-state Li-O 2 batteries.
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Marakhova, I I; Sal'nikov, K V; Vinogradova, T A
1985-10-01
Rubidium and lithium influxes as well as intracellular potassium and sodium contents were investigated in L cells during the culture growth. In sparse culture over the cell densities 0.5-3 X 10(4) cells/cm2 ouabain-sensitive rubidium influx is small and ouabain-resistant lithium influx in high. With the increase in culture density up to 4-5 X 10(4) cells/cm2 the active rubidium influx, mediated by ouabain-sensitive component, is enhanced, and ion "leakage" tested by lithium influx is diminished. Simultaneously with the exponential growth of culture the intracellular potassium content is increased and the intracellular sodium content is decreased resulting in the higher K/Na ratio in cell. During the further transition to dense culture and in stationary state (10-17 X 10(4) cells/cm2) the sodium content and lithium influx do not change significantly, but the potassium content is decreased. The decrease in intracellular potassium is correlated with that in the portion of cells in S-phase from 27-30 to 12%. Thus, in transformed cells the density-dependent alterations in membrane cation transport are observed.
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Representative volume element model of lithium-ion battery electrodes based on X-ray nano-tomography
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kashkooli, Ali Ghorbani; Amirfazli, Amir; Farhad, Siamak
For this, a new model that keeps all major advantages of the single-particle model of lithium-ion batteries (LIBs) and includes three-dimensional structure of the electrode was developed. Unlike the single spherical particle, this model considers a small volume element of an electrode, called the Representative Volume Element (RVE), which represent the real electrode structure. The advantages of using RVE as the model geometry was demonstrated for a typical LIB electrode consisting of nano-particle LiFePO 4 (LFP) active material. The three-dimensional morphology of the LFP electrode was reconstructed using a synchrotron X-ray nano-computed tomography at the Advanced Photon Source of themore » Argonne National. A 27 μm 3 cube from reconstructed structure was chosen as the RVE for the simulation purposes. The model was employed to predict the voltage curve in a half-cell during galvanostatic operations and validated with experimental data. The simulation results showed that the distribution of lithium inside the electrode microstructure is very different from the results obtained based on the single-particle model. The range of lithium concentration is found to be much greater, successfully illustrates the effect of microstructure heterogeneity.« less
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Representative volume element model of lithium-ion battery electrodes based on X-ray nano-tomography
Kashkooli, Ali Ghorbani; Amirfazli, Amir; Farhad, Siamak; ...
2017-01-28
For this, a new model that keeps all major advantages of the single-particle model of lithium-ion batteries (LIBs) and includes three-dimensional structure of the electrode was developed. Unlike the single spherical particle, this model considers a small volume element of an electrode, called the Representative Volume Element (RVE), which represent the real electrode structure. The advantages of using RVE as the model geometry was demonstrated for a typical LIB electrode consisting of nano-particle LiFePO 4 (LFP) active material. The three-dimensional morphology of the LFP electrode was reconstructed using a synchrotron X-ray nano-computed tomography at the Advanced Photon Source of themore » Argonne National. A 27 μm 3 cube from reconstructed structure was chosen as the RVE for the simulation purposes. The model was employed to predict the voltage curve in a half-cell during galvanostatic operations and validated with experimental data. The simulation results showed that the distribution of lithium inside the electrode microstructure is very different from the results obtained based on the single-particle model. The range of lithium concentration is found to be much greater, successfully illustrates the effect of microstructure heterogeneity.« less
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Lee, Seung-Mi; Kim, Jea-Yeon; Byeon, Jai-Won
2018-09-01
Accidental failures and explosions of lithium-ion batteries have been reported in recent years. To determine the root causes and mechanisms of these failures from the perspective of material degradation, failure analysis was conducted for an intentionally shorted lithium-ion battery. The battery was subjected to electrical overcharging and mechanical pressing to simulate internal short-circuiting. After in situ measurement of the temperature increase during the short-circuiting of the electrodes, the disassembled battery components (i.e., the anode, cathode, and separator) were analyzed by scanning electron microscopy and energy-dispersive X-ray spectroscopy. Regardless of the simulated short-circuit method (mechanical or electrical), damage was observed in the shorted batteries. Numerous small cracks and chemical reaction products were observed on the electrode surface, along with pore shielding on the separator. The event of short-circuiting increased the surface temperature of the battery to approximately 90 °C, which prompted the deterioration and decomposition of the electrolyte, thus affecting the overall battery performance; this was attributed to the decomposition of the lithium salt at 60 °C. The gas generation due to the breakdown of the electrolyte causes pressure accumulation inside the cell; therefore, the electrolyte leaks.
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Quantifying substructures in Hubble Frontier Field clusters: comparison with ΛCDM simulations
Mohammed, Irshad; Saha, Prasenjit; Williams, Liliya L. R.; ...
2016-04-13
The Hubble Frontier Fields (HFF) are six clusters of galaxies, all showing indications of recent mergers, which have recently been observed for lensed images. As such they are the natural laboratories to study the merging history of galaxy clusters. In this work, we explore the 2D power spectrum of the mass distributionmore » $$P_{\\rm M}(k)$$ as a measure of substructure. We compare $$P_{\\rm M}(k)$$ of these clusters (obtained using strong gravitational lensing) to that of $$\\Lambda$$CDM simulated clusters of similar mass. In order to compute lensing $$P_{\\rm M}(k)$$, we produced free-form lensing mass reconstructions of HFF clusters, without any light traces mass (LTM) assumption. Moreover, the inferred power at small scales tends to be larger if (i)~the cluster is at lower redshift, and/or (ii)~there are deeper observations and hence more lensed images. In contrast, lens reconstructions assuming LTM show higher power at small scales even with fewer lensed images; it appears the small scale power in the LTM reconstructions is dominated by light information, rather than the lensing data. The average lensing derived $$P_{\\rm M}(k)$$ shows lower power at small scales as compared to that of simulated clusters at redshift zero, both dark-matter only and hydrodynamical. The possible reasons are: (i)~the available strong lensing data are limited in their effective spatial resolution on the mass distribution, (ii)~HFF clusters have yet to build the small scale power they would have at $$z\\sim 0$$, or (iii)~simulations are somehow overestimating the small scale power.« less
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Resolving the problem of galaxy clustering on small scales: any new physics needed?
NASA Astrophysics Data System (ADS)
Kang, X.
2014-02-01
Galaxy clustering sets strong constraints on the physics governing galaxy formation and evolution. However, most current models fail to reproduce the clustering of low-mass galaxies on small scales (r < 1 Mpc h-1). In this paper, we study the galaxy clusterings predicted from a few semi-analytical models. We first compare two Munich versions, Guo et al. and De Lucia & Blaizot. The Guo11 model well reproduces the galaxy stellar mass function, but overpredicts the clustering of low-mass galaxies on small scales. The DLB07 model provides a better fit to the clustering on small scales, but overpredicts the stellar mass function. These seem to be puzzling. The clustering on small scales is dominated by galaxies in the same dark matter halo, and there is slightly more fraction of satellite galaxies residing in massive haloes in the Guo11 model, which is the dominant contribution to the clustering discrepancy between the two models. However, both models still overpredict the clustering at 0.1 < r < 10 Mpc h-1 for low-mass galaxies. This is because both models overpredict the number of satellites by 30 per cent in massive haloes than the data. We show that the Guo11 model could be slightly modified to simultaneously fit the stellar mass function and clusterings, but that cannot be easily achieved in the DLB07 model. The better agreement of DLB07 model with the data actually comes as a coincidence as it predicts too many low-mass central galaxies which are less clustered and thus brings down the total clustering. Finally, we show the predictions from the semi-analytical models of Kang et al. We find that this model can simultaneously fit the stellar mass function and galaxy clustering if the supernova feedback in satellite galaxies is stronger. We conclude that semi-analytical models are now able to solve the small-scales clustering problem, without invoking of any other new physics or changing the dark matter properties, such as the recent favoured warm dark matter.
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Cluster headache: clinical features and therapeutic options.
Gaul, Charly; Diener, Hans-Christoph; Müller, Oliver M
2011-08-01
Cluster headache is the most common type of trigemino-autonomic headache, affecting ca. 120 000 persons in Germany alone. The attacks of pain are in the periorbital area on one side, last 90 minutes on average, and are accompanied by trigemino-autonomic manifestations and restlessness. Most patients have episodic cluster headache; about 15% have chronic cluster headache, with greater impairment of their quality of life. The attacks often possess a circadian and seasonal rhythm. Selective literature review Oxygen inhalation and triptans are effective acute treatment for cluster attacks. First-line drugs for attack prophylaxis include verapamil and cortisone; alternatively, lithium and topiramate can be given. Short-term relief can be obtained by the subcutaneous infiltration of local anesthetics and steroids along the course of the greater occipital nerve, although most of the evidence in favor of this is not derived from randomized clinical trials. Patients whose pain is inadequately relieved by drug treatment can be offered newer, invasive treatments, such as deep brain stimulation in the hypothalamus (DBS) and bilateral occipital nerve stimulation (ONS). Pharmacotherapy for the treatment of acute attacks and for attack prophylaxis is effective in most patients. For the minority who do not gain adequate relief, newer invasive techniques are available in some referral centers. Definitive conclusions as to their value cannot yet be drawn from the available data.
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Li, Xin; Yang, Zhong-Zhi
2005-05-12
We present a potential model for Li(+)-water clusters based on a combination of the atom-bond electronegativity equalization and molecular mechanics (ABEEM/MM) that is to take ABEEM charges of the cation and all atoms, bonds, and lone pairs of water molecules into the intermolecular electrostatic interaction term in molecular mechanics. The model allows point charges on cationic site and seven sites of an ABEEM-7P water molecule to fluctuate responding to the cluster geometry. The water molecules in the first sphere of Li(+) are strongly structured and there is obvious charge transfer between the cation and the water molecules; therefore, the charge constraint on the ionic cluster includes the charged constraint on the Li(+) and the first-shell water molecules and the charge neutrality constraint on each water molecule in the external hydration shells. The newly constructed potential model based on ABEEM/MM is first applied to ionic clusters and reproduces gas-phase state properties of Li(+)(H(2)O)(n) (n = 1-6 and 8) including optimized geometries, ABEEM charges, binding energies, frequencies, and so on, which are in fair agreement with those measured by available experiments and calculated by ab initio methods. Prospects and benefits introduced by this potential model are pointed out.
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Volume shift and charge instability of simple-metal clusters
NASA Astrophysics Data System (ADS)
Brajczewska, M.; Vieira, A.; Fiolhais, C.; Perdew, J. P.
1996-12-01
Experiment indicates that small clusters show changes (mostly contractions) of the bond lengths with respect to bulk values. We use the stabilized jellium model to study the self-expansion and self-compression of spherical clusters (neutral or ionized) of simple metals. Results from Kohn - Sham density functional theory are presented for small clusters of Al and Na, including negatively-charged ones. We also examine the stability of clusters with respect to charging.
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NASA Astrophysics Data System (ADS)
Shinoda, Wataru; Hatanaka, Yuta; Hirakawa, Masashi; Okazaki, Susumu; Tsuzuki, Seiji; Ueno, Kazuhide; Watanabe, Masayoshi
2018-05-01
Equimolar mixtures of glymes and organic lithium salts are known to produce solvate ionic liquids, in which the stability of the [Li(glyme)]+ complex plays an important role in determining the ionic dynamics. Since these mixtures have attractive physicochemical properties for application as electrolytes, it is important to understand the dependence of the stability of the [Li(glyme)]+ complex on the ion dynamics. A series of microsecond molecular dynamics simulations has been conducted to investigate the dynamic properties of these solvate ionic liquids. Successful solvate ionic liquids with high stability of the [Li(glyme)]+ complex have been shown to have enhanced ion dynamics. Li-glyme pair exchange rarely occurs: its characteristic time is longer than that of ion diffusion by one or two orders of magnitude. Li-glyme pair exchange most likely occurs through cluster formation involving multiple [Li(glyme)]+ pairs. In this process, multiple exchanges likely take place in a concerted manner without the production of energetically unfavorable free glyme or free Li+ ions.
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Performance and Safety Evaluations of Moli Spinel Lithium-Ion Cells
NASA Technical Reports Server (NTRS)
Jevarajan, Judith; Cook, Joseph S.; Collins, Jacob
2005-01-01
The current spike obtained during the hard external short test is small (8.2 A) compared to those obtained from a LiCoO2 system (60 to 80 A). The simulated internal short did not result in an explosion or fire as it does with the LiCoO2 systems. The temperatures obtained during the heat-to-vent test are not very high compared to the cobaltate cells. The cells do not retain capacity very well, but the capacity can be recovered with cycling. The spinel cells are much safer under abuse conditions than the lithium-ion cells with other transition metal oxides.
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Failure mechanisms in lithium-ion batteries
NASA Astrophysics Data System (ADS)
Christensen, John Francis
Lithium-ion batteries have become one of the leading candidates for energy storage in electric and hybrid-electric vehicles due to their high energy and power densities. However, the life of this class of rechargeable cells is limited, and is usually considerably shorter than the requirement for an economically feasible alternative to the internal combustion engine. The goal of this research is to explore specific mechanisms for cell failure via mathematical modeling of phenomena that occur in a broad assortment of lithium-ion cells. The theoretical framework of the models presented here is general enough to be applicable to most lithium-ion cells and even electrochemical cells that fall outside the realm of lithium-ion technology, but the properties and parameters that are used are specific enough that quantitative predictions can be made. Specifically, models for passive-film growth at the electrode/electrolyte interface and for particle fracture are presented. In addition, we discuss a framework for describing and understanding various types of capacity fade. Finally, we optimize the design of a lithium-titanate based cell using an existing full-cell model and compare its performance to that of a graphite based cell. The passive-film model indicates that the extent of film growth and impedance rise in a cell should depend strongly upon the state of charge (SOC) at which a battery is stored. We further show that current efficiency increases with the rate at which a cell is charged, although the cycling range of the cell decreases as the current is raised due to the impedance of the film. The particle-fracture model elucidates the conditions under which both graphitic and lithium-manganese-oxide particles surpass their yield strength, at which point cracking is initiated and particle fragmentation may occur. Higher rates of charge and larger particle size generally lead to a higher likelihood of fracture, although this dependence is absent in materials that undergo a two-phase transition. Pressure diffusion and nonidealities embodied in solid-state diffusion and the kinetics of lithium insertion are included in the model, and are shown to have significant impact on the results. Variations in the thermodynamic factor with lithium content result in local SOCs at which the stress in the material is much higher than would be predicted for an ideal solution. The implications of these variations, including the possibility of selecting SOC windows for battery operation that minimize stress, are examined in detail. The high-rate performance of cells with lithium-titanate negative electrodes can be enhanced, relative to cells with graphitic negative electrodes, through the selection of active material of small particle size. The high potential of the lithium-titanate electrode prevents many of the undesirable side reactions that occur in graphitic electrodes, including passive-film formation and lithium deposition. We conclude that the lithium-titanate electrode is probably the more attractive candidate for hybrid-electric-vehicle and other high-power applications.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Ruiyi, Li; Tengyuan, Chen; Beibei, Sun
Graphical abstract: We developed a new Novel lithium titanate-graphene nanohybrid containing two graphene conductive frameworks. The unique architecture creates fast electron transfer and rapid mass transport of electrolyte. The hybrid electrode provides excellent electrochemical performances for lithium-ion batteries, including high specific capacity, outstanding rate capability and intriguing cycling stability. - Highlights: • We reported a new LTO-graphene nanohybrid containing two graphene conductive frameworks. • One graphene framework greatly improves the electrical conductivity of LTO crystal. • Another graphene framework enhances electrical conductivity of between LTO crystals and electrolyte transport. • The unique architecture creates big tap density, ultrafast electron transfermore » and rapid mass transport. • The hybrid electrode provides excellent electrochemical performance for lithium-ion batteries. - ABSTRACT: The paper reported the synthesis of lithium titanate(LTO)-graphene hybrid containing two graphene conductive frameworks (G@LTO@G). Tetrabutyl titanate and graphene were dispersed in tertbutanol and heated to reflux state by microwave irradiation. Followed by adding lithium acetate to produce LTO precursor/graphene (p-LTO/G). The resulting p-LTO/G offers homogeneous morphology and ultra small size. All graphene sheets were buried in the spherical agglomerates composed of primitive particles through the second agglomeration. The p-LTO/G was calcined to LTO@graphene (LTO@G). To obtain G@LTO@G, the LTO@G was further hybridized with graphene. The as-prepared G@LTO@G shows well-defined three-dimensional structure and hierarchical porous distribution. Its unique architecture creates big tap density, fast electron transfer and rapid electrolyte transport. As a result, the G@LTO@G provides high specific capacity (175.2 mA h g{sup −1} and 293.5 mA cm{sup −3}), outstanding rate capability (155.7 mAh g{sup −1} at 10C) and intriguing cycling stability (97.2% capacity retention at 5C after 1000 cycles)« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Croce, F.; D`Aprano, A.; Nanjundiah, C.
1996-01-01
In order to determine the solution properties of lithium tris(trifluoromethanesulfonyl) methide (LiMe) in water and the aprotic solvents acetonitrile (AN), propylene carbonate (PC), N,N-dimethylformamide (DMF), and nitromethane (MeNO{sub 2}), conductance measurements have been carried out at 25 C. Molar conductivities at infinite dilution ({Lambda}{degree}) and ion pair association constants (K{sub a}) were obtained analyzing the experimental data with the Fuoss-Hsia conductance equation using the expansion of Fernandez-Prini and Justice with and without inclusion of the Chen effect. The results show that according to the ability of the solvents to solvate lithium ion, ion-pair formation is small or nonexistent in solventsmore » with high donor number (water, PC, DMF, and AN) but fairly moderate in nitromethane. Single-ion molar conductivities at infinite dilution for ClO{sub 4}{sup {minus}}, AsF{sub 6}{sup {minus}}, PF{sub 6}{sup {minus}} CF{sub 3}SO{sub 3}{sup {minus}}, N(CF{sub 3}SO{sub 2}){sub 2}{sup {minus}}, and C(CF{sub 3}SO{sub 2}){sub 3}{sup {minus}} anions, obtained by combining these results with literature data, decrease as expected as the ionic radius increases, and with one exception are always greater than that of the lithium ion. This general trend does not, however, apply in water where the limiting ionic conductance of the lithium cation is greater than that of the methide anion. This anomalous behavior is attributed to significant solvation of the methide ion in water. Voltammetric measurements indicate high electrochemical stability of methide anion. Such anodic stability and the increase in the transference number of lithium ion in LiMe solutions strongly support the use of this electrolyte in high energy, high voltage lithium batteries.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Cuneo, M.E.; Adams, R.G.; Armijo, J.
The light ion fusion program is pursuing the development of a high brightness lithium ion beam on the SABRE accelerator at Sandia (6 MV, 0.25 MA). This will require the integration of at least three conditions: (1) an active, pre-formed, uniform lithium plasma ion source, (2) modification of the electron sheath distribution in the AK gap, and (3) mitigation of undesired electrode plasmas. These experiments represent the first attempt to combine these three conditions in a lithium ion diode. The primary goal is the production of a lithium beam with a micro-divergence at peak ion power of {le} 20 mrad,more » about half the previous value achieved on SABRE. A secondary goal is reduction of the impedance collapse rate. The primary approach is a laser-produced lithium plasma generated with 10 ns YAG laser illumination of LiAg films. Laser fluences of 0.5--1.0 J/cm{sup 2} appear to be satisfactory to generate a dense, highly ionized, low temperature plasma. An ohmically-generally, thin-film ion source is also being developed as a backup, longer term approach. Small-scale experiments are performed to study each ion source in detail, prior to fielding on the accelerator. Pre-formed anode plasmas allow the use of high magnetic fields (Vcrit/V {ge} 2) and limiters which slow the onset of a high beam divergence electromagnetic instability and slow impedance collapse. High magnetic fields will be achieved with 1.8 MJ capacitor banks. An extensive array of in-situ electrode cleaning techniques have been developed to limit parasitic ion loads and impedance collapse from electrode contaminant plasma formation. Advanced ion beam, electron sheath and spectroscopic AK gap diagnostics have also been developed.« less
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Diffusion of small molecules into medaka embryos improved by electroporation
2013-01-01
Background Diffusion of small molecules into fish embryos is essential for many experimental procedures in developmental biology and toxicology. Since we observed a weak uptake of lithium into medaka eggs we started a detailed analysis of its diffusion properties using small fluorescent molecules. Results Contrary to our expectations, not the rigid outer chorion but instead membrane systems surrounding the embryo/yolk turned out to be the limiting factor for diffusion into medaka eggs. The consequence is a bi-phasic uptake of small molecules first reaching the pervitelline space with a diffusion half-time in the range of a few minutes. This is followed by a slow second phase (half-time in the range of several hours) during which accumulation in the embryo/yolk takes place. Treatment with detergents improved the uptake, but strongly affected the internal distribution of the molecules. Testing electroporation we could establish conditions to overcome the diffusion barrier. Applying this method to lithium chloride we observed anterior truncations in medaka embryos in agreement with its proposed activation of Wnt signalling. Conclusions The diffusion of small molecules into medaka embryos is slow, caused by membrane systems underneath the chorion. These results have important implications for pharmacologic/toxicologic techniques like the fish embryo test, which therefore require extended incubation times in order to reach sufficient concentrations in the embryos. PMID:23815821
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Summary of Recent Developments in Primordial Nucleosynthesis.
Schramm, D N
1993-06-01
This paper summarizes the recent observational and theoretical results on Big Bang Nucleosynthesis. In particular, it is shown that the new Pop II (6)Li results strongly support the argument that the Spite Plateau lithium is a good estimate of the primordial value. The (6)Li is consistent with the Be and Be found in Pop II stars, assuming those elements are cosmic ray produced. The HST (2)D value tightens the (2)D arguments and the observation of the (3)He in planetary nebula strengthens the (3)He +(2)D argument as a lower bound on Ωb. The new low metalicity (4)He determinations slightly raise the best primordial (4)He number and thus make a better fit and avoid a potential problem. The quark-hadron inspired inhomogeneous calculations now unanimously agree that only relatively small variations in Ωb are possible vis-à-vis the homogeneous model; hence, the robustness of Ωb∼ 0.05 is now apparent. A comparison with the ROSAT cluster data is also shown to be consistent with the standard BBN model. Ωb∼ 1 seems to be definitely excluded, so, if Ω= 1, as some recent observations may hint, then non-baryonic dark matter is required.
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Mechanisms for sodium insertion in carbon materials
NASA Astrophysics Data System (ADS)
Stevens, David Andrew
2000-12-01
This thesis details the mechanisms for sodium insertion into different carbons using both electrochemical and vapour techniques. Room temperature electrochemical measurements were completed to examine the insertion and removal of sodium from soft (graphitizable) and nanoporous hard (non-graphitizable) carbons prepared by the heat treatment of organic precursors to a range of temperatures. The mechanisms identified from these studies were further investigated through a series of in situ x-ray scattering studies on operating electrochemical cells. The results obtained were then compared with x-ray scattering measurements on carbons after exposure to sodium vapour at 890C. This work is primarily driven by the aluminium industry's need to understand how sodium insertion causes carbon cathode blocks in aluminium reduction cells to swell. The results obtained are also of relevance to the lithium-ion battery field as they help to verify mechanisms proposed in the literature for lithium insertion into carbon hosts. Some carbons were also identified that could accommodate large amounts of sodium, making them attractive candidates for anodes in rechargeable sodium ion batteries. For soft carbons, the results showed that both sodium and lithium insert between approximately parallel carbon layers along the sloping voltage region of the electrochemical curves, increasing the average interlayer spacing. The sodium and lithium capacities decreased with increasing carbon heat treatment temperature. For the soft carbons studied, the sodium capacity was found to be consistently lower than the lithium capacity, implying that some lithium-accessible sites were unavailable for sodium insertion. The electrochemical profiles for the hard carbons also contained capacity along a sloping voltage region and, as with the soft carbons, this was shown to result from the insertion of sodium and lithium between approximately parallel carbon layers. In contrast to the soft carbons, however, the electrochemical profiles for the hard carbons also exhibited significant capacity along low voltage plateaus at chemical potentials close to the chemical potential of the metal. An in situ small angle x-ray scattering experimental method was therefore developed to examine changes in scattering from the nanopores during sodium and lithium insertion/removal. The results from this technique clearly showed that the low voltage plateau capacity resulted from the insertion of sodium and lithium into nanopores in the carbon.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Curotto, E., E-mail: curotto@arcadia.edu
2015-12-07
Structural optimizations, classical NVT ensemble, and variational Monte Carlo simulations of ion Stockmayer clusters parameterized to approximate the Li{sup +}(CH{sub 3}NO{sub 2}){sub n} (n = 1–20) systems are performed. The Metropolis algorithm enhanced by the parallel tempering strategy is used to measure internal energies and heat capacities, and a parallel version of the genetic algorithm is employed to obtain the most important minima. The first solvation sheath is octahedral and this feature remains the dominant theme in the structure of clusters with n ≥ 6. The first “magic number” is identified using the adiabatic solvent dissociation energy, and it marksmore » the completion of the second solvation layer for the lithium ion-nitromethane clusters. It corresponds to the n = 18 system, a solvated ion with the first sheath having octahedral symmetry, weakly bound to an eight-membered and a four-membered ring crowning a vertex of the octahedron. Variational Monte Carlo estimates of the adiabatic solvent dissociation energy reveal that quantum effects further enhance the stability of the n = 18 system relative to its neighbors.« less
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Lucas, Kirsten C; Hart, David A; Becker, Rolf W
2010-01-25
Lithium, a prophylactic drug for the treatment of bipolar disorder, is prescribed with caution due to its side effects, including renal damage. In this study porcine LLC-PK1 renal tubular cells were used to establish the direct toxicity of lithium on proximal cells and gain insights into the molecular mechanisms involved. In the presence of LiCl, cell proliferation exhibited insignificant decreases in a concentration-dependent manner, but once confluent, constant cell numbers were observed. Cell cycle studies indicated a small dose-dependent accumulation of cells in the G2/M stage after 24 h, as well as an increase in cells in the G0/G1 phase after treatment with 1-10 mM LiCl, but not at 20 mM LiCl. No evidence of apoptosis was observed based on cell morphology or DNA fragmentation studies, or evidence of protein expression changes for Bax, Bcl-2, and p53 proteins using immunocytochemistry. In addition caspases 3, 8 and 9 activity remained unaltered between control and lithium-treated cultures. To conclude, exposure to high concentrations of lithium did not result in overt toxic effects to LLC-PK1 renal cells, although LiCl did alter some aspects of cell behaviour, which could potentially influence function over time.
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NASA Astrophysics Data System (ADS)
Lim, Beomdu; Sung, Hwankyung; Kim, Jinyoung S.; Bessell, Michael S.; Hwang, Narae; Park, Byeong-Gon
2016-11-01
The timescale of cluster formation is an essential parameter in order to understand the formation process of star clusters. Pre-main sequence (PMS) stars in nearby young open clusters reveal a large spread in brightness. If the spread were considered to be a result of a real spread in age, the corresponding cluster formation timescale would be about 5-20 Myr. Hence it could be interpreted that star formation in an open cluster is prolonged for up to a few tens of Myr. However, difficulties in reddening correction, observational errors, and systematic uncertainties introduced by imperfect evolutionary models for PMS stars can result in an artificial age spread. Alternatively, we can utilize Li abundance as a relative age indicator of PMS star to determine the cluster formation timescale. The optical spectra of 134 PMS stars in NGC 2264 have been obtained with MMT/Hectochelle. The equivalent widths have been measured for 86 PMS stars with a detectable Li line (3500\\lt {T}{eff}[{{K}}]≤slant 6500). Li abundance under the condition of local thermodynamic equilibrium (LTE) was derived using the conventional curve of growth method. After correction for non-LTE effects, we find that the initial Li abundance of NGC 2264 is A({Li})=3.2+/- 0.2. From the distribution of the Li abundances, the underlying age spread of the visible PMS stars is estimated to be about 3-4 Myr and this, together with the presence of embedded populations in NGC 2264, suggests that the cluster formed on a timescale shorter than 5 Myr.
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NASA Astrophysics Data System (ADS)
Voges, Melanie; Beversdorff, Manfred; Willert, Chris; Krain, Hartmut
2007-10-01
Previous studies in our laboratory have reported that the chemical etch rate of a commercial photosensitive glass ceramic (FoturanTM, Schott Corp., Germany) in dilute hydrofluoric acid is strongly dependent on the incident laser irradiance during patterning at λ=266 nm and λ=355 nm. To help elucidate the underlying chemical and physical processes associated with the laser-induced variations in the chemical etch rate, several complimentary techniques were employed at various stages of the UV laser exposure and thermal treatment. X-ray diffraction (XRD) was used to identify the crystalline phases that are formed in Foturan following laser irradiation and annealing, and monitor the crystalline content as a function of laser irradiance at λ=266 nm and λ=355 nm. The XRD results indicate the nucleation of lithium metasilicate (Li2SiO3) crystals as the exclusive phase following laser irradiation and thermal treatment at temperatures not exceeding 605 °C. The XRD studies also show that the Li2SiO3 density increases with increasing laser irradiance and saturates at high laser irradiance. For our thermal treatment protocol, the average Li2SiO3 crystal diameters are 117.0±10.0 nm and 91.2±5.8 nm for λ=266 nm and λ=355 nm, respectively. Transmission electron microscopy (TEM) was utilized to examine the microscopic structural features of the lithium metasilicate crystals. The TEM results reveal that the growth of lithium metasilicate crystals proceeds dendritically, and produces Li2SiO3 crystals that are ˜700 1000 nm in length for saturation exposures. Optical transmission spectroscopy (OTS) was used to study the growth of metallic silver clusters that act as nucleation sites for the Li2SiO3 crystalline phase. The OTS results show that the (Ag0)x cluster concentration has a dependence on incident laser irradiance that is similar to the etch rate ratios and Li2SiO3 concentration. A comparison between the XRD and optical transmission results and our prior etch rate results show that the etch rate contrast and absolute etch rates are dictated by the Li2SiO3 concentration, which is in turn governed by the (Ag0)x cluster concentration. These results characterize the relationship between the laser exposure and chemical etch rate for Foturan, and permit a more detailed understanding of the photophysical processes that occur in the general class of photostructurable glass ceramic materials. Consequently, these results may also influence the laser processing of other photoactive materials.
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Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes.
Borodin, Oleg; Suo, Liumin; Gobet, Mallory; Ren, Xiaoming; Wang, Fei; Faraone, Antonio; Peng, Jing; Olguin, Marco; Schroeder, Marshall; Ding, Michael S; Gobrogge, Eric; von Wald Cresce, Arthur; Munoz, Stephen; Dura, Joseph A; Greenbaum, Steve; Wang, Chunsheng; Xu, Kang
2017-10-24
Using molecular dynamics simulations, small-angle neutron scattering, and a variety of spectroscopic techniques, we evaluated the ion solvation and transport behaviors in aqueous electrolytes containing bis(trifluoromethanesulfonyl)imide. We discovered that, at high salt concentrations (from 10 to 21 mol/kg), a disproportion of cation solvation occurs, leading to a liquid structure of heterogeneous domains with a characteristic length scale of 1 to 2 nm. This unusual nano-heterogeneity effectively decouples cations from the Coulombic traps of anions and provides a 3D percolating lithium-water network, via which 40% of the lithium cations are liberated for fast ion transport even in concentration ranges traditionally considered too viscous. Due to such percolation networks, superconcentrated aqueous electrolytes are characterized by a high lithium-transference number (0.73), which is key to supporting an assortment of battery chemistries at high rate. The in-depth understanding of this transport mechanism establishes guiding principles to the tailored design of future superconcentrated electrolyte systems.
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Modeling of lithium granule injection in NSTX using M3D-C1
DOE Office of Scientific and Technical Information (OSTI.GOV)
Fil, A.; Kolemen, E.; Ferraro, N.
In this paper, we present simulations of pedestal control by lithium granule injection (LGI) in NSTX. A model for small granule ablation has been implemented in the M3D-C1 code (Jardin et al 2012 Comput. Sci. Discovery 5 014002), allowing the simulation of realistic lithium granule injections. 2D and 3D simulations of Li injections in NSTX H-mode plasmas are performed and the effect of granule size, injection angle and velocity on the pedestal gradient increase is studied. The amplitude of the local pressure perturbation caused by the granules is found to be highly dependent on the solid granule size. Adjusting themore » granule injection velocity allows one to inject more particles at the pedestal top. 3D simulations show the destabilization of high order MHD modes whose amplitude is directly linked to the localized pressure perturbation, which is found to depend on the toroidal localization of the granule density source.« less
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NASA Astrophysics Data System (ADS)
Kim, Dong-Won; Sivakkumar, S. R.; MacFarlane, Douglas R.; Forsyth, Maria; Sun, Yang-Kook
A poly(3-methylthiophene) (PMT)/multi-walled carbon nanotube (CNT) composite is synthesized by in situ chemical polymerization. The PMT/CNT composite is used as an active cathode material in lithium metal polymer cells assembled with ionic liquid (IL) electrolytes. The IL electrolyte consists of 1-ethyl-3-methylimidazolium tetrafluoroborate (EMIBF 4) and LiBF 4. A small amount of vinylene carbonate is added to the IL electrolyte to prevent the reductive decomposition of the imidazolium cation in EMIBF 4. A porous poly(vinylidene fluoride- co-hexafluoropropylene) (P(VdF- co-HFP)) film is used as a polymer membrane for assembling the cells. Electrochemical properties of the PMT/CNT composite electrode in the IL electrolyte are evaluated and the effect of vinylene carbonate on the cycling performance of the lithium metal polymer cells is investigated. The cells assembled with a non-flammable IL electrolyte and a PMT/CNT composite cathode are promising candidates for high-voltage-power sources with enhanced safety.
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Metallic MoN layer and its application as anode for lithium-ion batteries
NASA Astrophysics Data System (ADS)
Zhang, Qiaoxuan; Ma, Jiachen; Lei, Ming; Quhe, Ruge
2018-04-01
Recently, two-dimensional (2D) metallic MoN was manufactured successfully in experiment. Its intrinsic properties remain to be explored theoretically, in depth. The intrinsic properties of a MoN monolayer are investigated by first-principles calculations. The distinct geometric properties of the outermost Mo and N surfaces are discovered. We predict an extremely high work function of 6.3 eV of the N surface, which indicates the great value of the 2D MoN for application in the semiconductor industry. We further explore the potential of 2D MoN as anode material for lithium-ion batteries. It is found that the adsorption energy of a single Li atom on an MoN surface can be as low as -4.04 eV. The small diffusion barriers (0.41 eV) and high theoretical maximum capacity (406 mAh · g-1 with the inclusion of multilayer adsorption) all imply an outstanding lithium-ion battery performance by 2D MoN.
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Modeling of lithium granule injection in NSTX using M3D-C1
Fil, A.; Kolemen, E.; Ferraro, N.; ...
2017-04-06
In this paper, we present simulations of pedestal control by lithium granule injection (LGI) in NSTX. A model for small granule ablation has been implemented in the M3D-C1 code (Jardin et al 2012 Comput. Sci. Discovery 5 014002), allowing the simulation of realistic lithium granule injections. 2D and 3D simulations of Li injections in NSTX H-mode plasmas are performed and the effect of granule size, injection angle and velocity on the pedestal gradient increase is studied. The amplitude of the local pressure perturbation caused by the granules is found to be highly dependent on the solid granule size. Adjusting themore » granule injection velocity allows one to inject more particles at the pedestal top. 3D simulations show the destabilization of high order MHD modes whose amplitude is directly linked to the localized pressure perturbation, which is found to depend on the toroidal localization of the granule density source.« less
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Sound controlled rotation of a cluster of small particles on an ultrasonically vibrating metal strip
NASA Astrophysics Data System (ADS)
Zhang, Xueyi; Zheng, Yun; Hu, Junhui
2008-01-01
We show that a vibrating metal strip, mechanically driven by an ultrasonic transducer, can rotate a cluster of small particles around a fixed point, and the diameter of the cluster of small particles can reach a stable value (steady diameter) for a given driving condition. The rotation is very stable when the vibration of the metal strip is appropriate. The revolution speed, its direction, and steady diameter of the particle cluster can be controlled by the operating frequency of the ultrasonic transducer. For shrimp eggs, a revolution speed up to 360rpm can be obtained.
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The elusive role of NbLi bound polaron energy in hopping charge transport in Fe : LiNbO3.
Guilbert, Laurent; Vittadello, Laura; Bazzan, Marco; Mhaouech, Imed; Messerschmidt, Simon; Imlau, M
2018-02-06
Charge transport due to small polarons hopping among defective (bound polarons) and regular (free polarons) sites is shown to depend in a non-trivial way from the value of the stabilization energy provided by the lattice distortion surrounding the charge carriers. This energy, normally not directly accessible for bound polarons by spectroscopic techniques, is here determined by a combination of experimental and numerical methods for the important case of small electron polarons bound to \\mathrm{Nb}_{\\mathrm{Li}} defects in the prototype ferroelectric oxide lithium niobate. Our findings provide an estimation of the \\mathrm{Nb}_{\\mathrm{Li}} polaron stabilization energy E_{GP}=\\unit[(0.75\\pm0.05)]{eV} and point out that in lithium niobate both free and bound polarons contributes to charge transport already at room temperature, explaining the fast decays of the light-induced bound polaron population observed by transient absorption spectroscopy. © 2018 IOP Publishing Ltd.
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Carvalho, Nathalia F; Pliego, Josefredo R
2015-10-28
Absolute single-ion solvation free energy is a very useful property for understanding solution phase chemistry. The real solvation free energy of an ion depends on its interaction with the solvent molecules and on the net potential inside the solute cavity. The tetraphenyl arsonium-tetraphenyl borate (TATB) assumption as well as the cluster-continuum quasichemical theory (CC-QCT) approach for Li(+) solvation allows access to a solvation scale excluding the net potential. We have determined this free energy scale investigating the solvation of the lithium ion in water (H2O), acetonitrile (CH3CN) and dimethyl sulfoxide (DMSO) solvents via the CC-QCT approach. Our calculations at the MP2 and MP4 levels with basis sets up to the QZVPP+diff quality, and including solvation of the clusters and solvent molecules by the dielectric continuum SMD method, predict the solvation free energy of Li(+) as -116.1, -120.6 and -123.6 kcal mol(-1) in H2O, CH3CN and DMSO solvents, respectively (1 mol L(-1) standard state). These values are compatible with the solvation free energy of the proton of -253.4, -253.2 and -261.1 kcal mol(-1) in H2O, CH3CN and DMSO solvents, respectively. Deviations from the experimental TATB scale are only 1.3 kcal mol(-1) in H2O and 1.8 kcal mol(-1) in DMSO solvents. However, in the case of CH3CN, the deviation reaches a value of 9.2 kcal mol(-1). The present study suggests that the experimental TATB scale is inconsistent for CH3CN. A total of 125 values of the solvation free energy of ions in these three solvents were obtained. These new data should be useful for the development of theoretical solvation models.
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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.
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NASA Technical Reports Server (NTRS)
Hung, Ching-Cheh
2000-01-01
Four carbon materials (C1, C2, C3, and C4) were tested electrochemically at the NASA Glenn Research Center at Lewis Field to determine their performance in lithium-ion batteries. They were formed as shown in the figure. This process caused very little carbon loss. Products C1 and C3 contained very little oxygen because of the final overnight heating at 540 C. Products C2 and C4, on the other hand, contained small amounts of basic oxide. The electrochemical test involved cycles of lithium intercalation and deintercalation using C/saturated LiI-50/50 (vol %) ethylene carbonate (EC) and dimethyl carbonate (DMC)/Li half cell. The cycling test, which is summarized in the table, resulted in three major conclusions. The capacity of the carbon with a basic oxide surface converges to a constant 1. value quickly (within 4 cycles), possibly because the oxide prevents solvent from entering the carbon structure and, therefore, prolongs the carbon s cycle life. Under certain conditions, the disordered carbon can store more lithium than its 2. precursor. These samples and their precursor can intercalate at 200 mA/g and deintercalate at 3. a rate of 2000 mA/g without significant capacity loss.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
ALAM,TODD M.
Monte Carlo simulations of phosphate tetrahedron connectivity distributions in alkali and alkaline earth phosphate glasses are reported. By utilizing a discrete bond model, the distribution of next-nearest neighbor connectivities between phosphate polyhedron for random, alternating and clustering bonding scenarios was evaluated as a function of the relative bond energy difference. The simulated distributions are compared to experimentally observed connectivities reported for solid-state two-dimensional exchange and double-quantum NMR experiments of phosphate glasses. These Monte Carlo simulations demonstrate that the polyhedron connectivity is best described by a random distribution in lithium phosphate and calcium phosphate glasses.
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Theoretical research program to study transition metal trimers and embedded clusters
NASA Technical Reports Server (NTRS)
Walch, S. P.
1984-01-01
Small transition metal clusters were studied at a high level of approximation, including all the valence electrons in the calculation and extensive electron correlation, in order to understand the electronic structure of these small metal clusters. By comparison of dimers, trimers, and possibly higher clusters, the information obtained was used to provide insights into the electronic structure of bulk transition metals. Small metal clusters are currently of considerable experimental interest and some information is becomming available both from matrix electron spin resonance studies and from gas phase spectroscopy. Collaboration between theorists and experimentalists is thus expected to be especially profitable at this time since there is some experimental information which can serve to guide the theoretical work.
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Power and money in cluster randomized trials: when is it worth measuring a covariate?
Moerbeek, Mirjam
2006-08-15
The power to detect a treatment effect in cluster randomized trials can be increased by increasing the number of clusters. An alternative is to include covariates into the regression model that relates treatment condition to outcome. In this paper, formulae are derived in order to evaluate both strategies on basis of their costs. It is shown that the strategy that uses covariates is more cost-efficient in detecting a treatment effect when the costs to measure these covariates are small and the correlation between the covariates and outcome is sufficiently large. The minimum required correlation depends on the cluster size, and the costs to recruit a cluster and to measure the covariate, relative to the costs to recruit a person. Measuring a covariate that varies at the person level only is recommended when cluster sizes are small and the costs to recruit and measure a cluster are large. Measuring a cluster level covariate is recommended when cluster sizes are large and the costs to recruit and measure a cluster are small. An illustrative example shows the use of the formulae in a practical setting. Copyright 2006 John Wiley & Sons, Ltd.
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NASA Technical Reports Server (NTRS)
Mighell, Kenneth J.; Sarajedini, Ata; French, Rica S.
1998-01-01
We present our analysis of archival Hubble Space Telescope Wide Field Planetary Camera 2 (WFPC2) observations in F45OW ( approximately B) and F555W (approximately V) of the intermediate-age populous star clusters NGC 121, NGC 339, NGC 361, NGC 416, and Kron 3 in the Small Magellanic Cloud. We use published photometry of two other SMC populous star clusters, Lindsay 1 and Lindsay 113, to investigate the age sequence of these seven populous star clusters in order to improve our understanding of the formation chronology of the SMC. We analyzed the V vs B-V and M(sub V) vs (B-V)(sub 0) color-magnitude diagrams of these populous Small Magellanic Cloud star clusters using a variety of techniques and determined their ages, metallicities, and reddenings. These new data enable us to improve the age-metallicity relation of star clusters in the Small Magellanic Cloud. In particular, we find that a closed-box continuous star-formation model does not reproduce the age-metallicity relation adequately. However, a theoretical model punctuated by bursts of star formation is in better agreement with the observational data presented herein.
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The Incorporation of Lithium Alloying Metals into Carbon Matrices for Lithium Ion Battery Anodes
NASA Astrophysics Data System (ADS)
Hays, Kevin A.
An increased interest in renewable energies and alternative fuels has led to recognition of the necessity of wide scale adoption of the electric vehicle. Automotive manufacturers have striven to produce an electric vehicle that can match the range of their petroleum-fueled counterparts. However, the state-of-the-art lithium ion batteries used to power the current offerings still do not come close to the necessary energy density. The energy and power densities of the lithium ion batteries must be increased significantly if they are going to make electric vehicles a viable option. The chemistry of the lithium ion battery, based on lithium cobalt oxide cathodes and graphite anodes, is limited by the amount of lithium the cathode can provide and the anode will accept. While these materials have proven themselves in portable electronics over the past two decades, plausible higher energy alternatives do exist. The focus is of this study is on anode materials that could achieve a capacity of more than 3 times greater than that of graphite anodes. The lithium alloying anode materials investigated and reported herein include tin, arsenic, and gallium arsenide. These metals were synthesized with nanoscale dimensions, improving their electrochemical and mechanical properties. Each exhibits their own benefits and challenges, but all display opportunities for incorporation in lithium ion batteries. Tin is incorporated in multilayer graphene nanoshells by introducing small amounts of metal in the core and, separately, on the outside of these spheres. Electrolyte decomposition on the anode limits cycle life of the tin cores, however, tin vii oxides introduced outside of the multilayer graphene nanoshells have greatly improved long term battery performance. Arsenic is a lithium alloying metal that has largely been ignored by the research community to date. One of the first long term battery performance tests of arsenic is reported in this thesis. Anodes were made from nanoscale arsenic particles that were synthesized on melt away carbon nanotubes by akalide reduction. The performance of these anodes proved sensitive to electrolyte composition, which was significantly improved by using fluorinated ethylene carbonate. Additionally, further gains in capacity retention can be made by limiting the loading voltage to 0.75 V vs lithium metal. The arsenic and melt away carbon nanotube composite was found to have excellent cycle life and capacity at high mass loading (80% arsenic) when the nanoparticles were directly synthesized on the melt away carbon nanotubes. Gallium arsenide is well known for its semiconducting properties, but its performance as in Li-ion battery anodes is first reported here. Gallium is a metal with a low melting point that has been touted as a possible self-healing material for lithium ion anodes. Alone, gallium proves to be unstable as a lithium ion battery anode, but when synthesized as gallium arsenide nanoparticles and mixed with melt away carbon nanotubes it can charge and discharge in a battery 100 times with approximately twice the capacity of graphite anodes. This first study of gallium arsenide shows dramatic cycle life improvements by using nanoscale rather that micron size gallium arsenide.
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Stability of Full Penetration, Flat Position Weld Pools
NASA Technical Reports Server (NTRS)
Nunes, Arthur C., Jr.; Coan, Al. B.
1999-01-01
The dynamics of the dropthrough distance of a full penetration, flat position weld pool is described. Close to incipient root side penetration the dropthrough is metastable, so that a small drop in power can cause a loss of penetration if not followed soon enough by a compensating rise in power. The SPA (Soft Plasma Arc) process with higher pressure on top of the weld pool loses penetration more quickly than the GTA (Gas Tungsten Arc) process. 2195 aluminum-lithium alloy with a lower surface tension loses penetration more quickly than 2219 aluminum alloy. An instance of loss of penetration of a SPA weld in 2195 aluminum-lithium alloy is discussed in the light of the model.
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Lack of small-scale clustering in 21-cm intensity maps crossed with 2dF galaxy densities at z ~ 0.08
NASA Astrophysics Data System (ADS)
Anderson, Christopher; Luciw, Nicholas; Li, Yi-Chao; Kuo, Cheng-Yu; Yadav, Jaswant; Masui, Kiyoshi; Chang, Tzu-Ching; Chen, Xuelei; Oppermann, Niels; Pen, Ue-Li; Timbie, Peter T.
2017-06-01
I report results from 21-cm intensity maps acquired from the Parkes radio telescope and cross-correlated with galaxy maps from the 2dF galaxy survey. The data span the redshift range 0.057
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Method and apparatus for detecting and/or imaging clusters of small scattering centers in the body
Perez-Mendez, V.; Sommer, F.G.
1982-07-13
An ultrasonic method and apparatus are provided for detecting and imaging clusters of small scattering centers in the breast wherein periodic pulses are applied to an ultrasound emitting transducer and projected into the body, thereafter being received by at least one receiving transducer positioned to receive scattering from the scattering center clusters. The signals are processed to provide an image showing cluster extent and location. 6 figs.
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Method and apparatus for detecting and/or imaging clusters of small scattering centers in the body
Perez-Mendez, Victor; Sommer, Frank G.
1982-01-01
An ultrasonic method and apparatus are provided for detecting and imaging clusters of small scattering centers in the breast wherein periodic pulses are applied to an ultrasound emitting transducer and projected into the body, thereafter being received by at least one receiving transducer positioned to receive scattering from the scattering center clusters. The signals are processed to provide an image showing cluster extent and location.
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Hot and solid gallium clusters: too small to melt.
Breaux, Gary A; Benirschke, Robert C; Sugai, Toshiki; Kinnear, Brian S; Jarrold, Martin F
2003-11-21
A novel multicollision induced dissociation scheme is employed to determine the energy content for mass-selected gallium cluster ions as a function of their temperature. Measurements were performed for Ga(+)(n) (n=17 39, and 40) over a 90-720 K temperature range. For Ga+39 and Ga+40 a broad maximum in the heat capacity-a signature of a melting transition for a small cluster-occurs at around 550 K. Thus small gallium clusters melt at substantially above the 302.9 K melting point of bulk gallium, in conflict with expectations that they will remain liquid to below 150 K. No melting transition is observed for Ga+17.
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NASA Astrophysics Data System (ADS)
Raghavan, Rahul
Novel materials for Li-ion batteries is one of the principle thrust areas for current research in energy storage, more so than most, considering its widespread use in portable electronic gadgets and plug-in electric and hybrid cars. One of the major limiting factors in a Li-ion battery's energy density is the low specific capacities of the active materials in the electrodes. In the search for high-performance anode materials for Li-ion batteries, many alternatives to carbonaceous materials have been studied. Both cubic and amorphous silicon can reversibly alloy with lithium and have a theoretical capacity of 3500 mAh/g, making silicon a potential high density anode material. However, a large volume expansion of 300% occurs due to changes in the structure during lithium insertion, often leading to pulverization of the silicon. To this end, a class of silicon based cage compounds called clathrates are studied for electrochemical reactivity with lithium. Silicon-clathrates consist of silicon covalently bonded in cage structures comprised of face sharing Si20, Si24 and/or Si28 clusters with guest ions occupying the interstitial positions in the polyhedra. Prior to this, silicon clathrates have been studied primarily for their superconducting and thermoelectric properties. In this work, the synthesis and electrochemical characterization of two categories of silicon clathrates - Type-I silicon clathrate with aluminum framework substitution and barium guest ions (Ba8AlxSi46-x) and Type-II silicon clathrate with sodium guest ions (Nax Si136), are explored. The Type-I clathrate, Ba8AlxSi46-x consists of an open framework of aluminium and silicon, with barium (guest) atoms occupying the interstitial positions. X-ray diffraction studies have shown that a crystalline phase of clathrate is obtained from synthesis, which is powdered to a fine particle size to be used as the anode material in a Li-ion battery. Electrochemical measurements of these type of clathrates have shown that capacities comparable to graphite can be obtained for up to 10 cycles and lower capacities can be obtained for up to 20 cycles. Unlike bulk silicon, the clathrate structure does not undergo excessive volume change upon lithium intercalation, and therefore, the crystal structure is morphologically stable over many cycles. X-ray diffraction of the clathrate after cycling showed that crystallinity is intact, indicating that the clathrate does not collapse during reversible intercalation with lithium ions. Electrochemical potential spectroscopy obtained from the cycling data showed that there is an absence of formation of lithium-silicide, which is the product of lithium alloying with diamond cubic silicon. Type II silicon clathrate, NaxSi136, consists of silicon making up the framework structure and sodium (guest) atoms occupying the interstitial spaces. These clathrates showed very high capacities during their first intercalation cycle, in the range of 3,500 mAh/g, but then deteriorated during subsequent cycles. X-ray diffraction after one cycle showed the absence of clathrate phase and the presence of lithium-silicide, indicating the disintegration of clathrate structure. This could explain the silicon-like cycling behavior of Type II clathrates.
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Haskins, Justin B; Bauschlicher, Charles W; Lawson, John W
2015-11-19
Density functional theory (DFT), density functional theory molecular dynamics (DFT-MD), and classical molecular dynamics using polarizable force fields (PFF-MD) are employed to evaluate the influence of Li(+) on the structure, transport, and electrochemical stability of three potential ionic liquid electrolytes: N-methyl-N-butylpyrrolidinium bis(trifluoromethanesulfonyl)imide ([pyr14][TFSI]), N-methyl-N-propylpyrrolidinium bis(fluorosulfonyl)imide ([pyr13][FSI]), and 1-ethyl-3-methylimidazolium boron tetrafluoride ([EMIM][BF4]). We characterize the Li(+) solvation shell through DFT computations of [Li(Anion)n]((n-1)-) clusters, DFT-MD simulations of isolated Li(+) in small ionic liquid systems, and PFF-MD simulations with high Li-doping levels in large ionic liquid systems. At low levels of Li-salt doping, highly stable solvation shells having two to three anions are seen in both [pyr14][TFSI] and [pyr13][FSI], whereas solvation shells with four anions dominate in [EMIM][BF4]. At higher levels of doping, we find the formation of complex Li-network structures that increase the frequency of four anion-coordinated solvation shells. A comparison of computational and experimental Raman spectra for a wide range of [Li(Anion)n]((n-1)-) clusters shows that our proposed structures are consistent with experiment. We then compute the ion diffusion coefficients and find measures from small-cell DFT-MD simulations to be the correct order of magnitude, but influenced by small system size and short simulation length. Correcting for these errors with complementary PFF-MD simulations, we find DFT-MD measures to be in close agreement with experiment. Finally, we compute electrochemical windows from DFT computations on isolated ions, interacting cation/anion pairs, and liquid-phase systems with Li-doping. For the molecular-level computations, we generally find the difference between ionization energy and electron affinity from isolated ions and interacting cation/anion pairs to provide upper and lower bounds, respectively, to experiment. In the liquid phase, we find the difference between the lowest unoccupied and highest occupied electronic levels in pure and hybrid functionals to provide lower and upper bounds, respectively, to experiment. Li-doping in the liquid-phase systems results in electrochemical windows little changed from the neat systems.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Not Available
Three solid-breeder water-cooled blanket concepts have been developed for ITER based on a multilayer configuration. The primary difference among the concepts is in the fabricated form of breeder and multiplier. All the concepts have beryllium for neutron multiplication and solid-breeder temperature control. The blanket design does not use helium gaps or insulator material to control the solid breeder temperature. Lithium oxide (Li{sub 2}O) and lithium zirconate (Li{sub 2}ZrO{sub 3}) are the primary and the backup breeder materials, respectively. The lithium-6 enrichment is 95%. The use of high lithium-6 enrichment reduces the solid breeder volume required in the blanket and consequentlymore » the total tritium inventory in the solid breeder material. Also, it increases the blanket capability to accommodate power variation. The multilayer blanket configuration can accommodate up to a factor of two change in the neutron wall loading without violating the different design guidelines. The blanket material forms are sintered products and packed bed of small pebbles. The first concept has a sintered product material (blocks) for both the beryllium multiplier and the solid breeder. The second concept, the common ITER blanket, uses a packed bed breeder and beryllium blocks. The last concept is similar to the first except for the first and the last beryllium zones. Two small layers of beryllium pebbles are located behind the first wall and the back of the last beryllium zone to reduce the total inventory of the beryllium material and to improve the blanket performance. The design philosophy adopted for the blanket is to produce the necessary tritium required for the ITER operation and to operate at power reactor conditions as much as possible. Also, the reliability and the safety aspects of the blanket are enhanced by using low-pressure water coolant and the separation of the tritium purge flow from the coolant system by several barriers.« less
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Modeling Co-Extruded Cathodes for High Energy Lithium-Ion Batteries
DOE Office of Scientific and Technical Information (OSTI.GOV)
Cobb, Corie Lynn
2016-06-01
Utilizing an existing macro-homogeneous porous electrode model developed by John Newman, this talk presents the potential energy density gains that can be realized in lithium-ion battery electrodes fabricated with co-extrusion (CoEx) technology. CoEx uses carefully engineered fluidic channels to cause multiple streams of dissimilar fluids to impart shape to one another. The result is a high-speed, continuous deposition process that can create fine linear structures much smaller than the smallest physical feature within the printhead. By eliminating the small channels necessary for conventional extrusion and injection processes, CoEx is able to deposit highly loaded and viscous pastes at high linemore » speeds under reasonable operating pressures. The CoEx process is capable of direct deposition of features as small as 10 μm with aspect ratios of 5 or greater, and print speeds > 80 ft/min. We conduct an analysis on two-dimensional cathode cross-sections in COMSOL and present the electrochemical performance results, including calculated volumetric energy capacity for Lithium Nickel Manganese Cobalt Oxide (NMC) co-extruded cathodes, in the presence of a lithium metal anode, polymer separator and ethylene carbonate–diethyl carbonate (EC:DEC) liquid electrolyte. The impact of structured electrodes on cell performance is investigated by varying the physical distribution of a fixed amount of cathode mass over a space of dimensions which can be fabricated by CoEx. By systematically varying the thickness and aspect ratio of the electrode structures, we present an optimal subset of geometries and design rules for co-extruded geometries. Modeling results demonstrate that NMC CoEx cathodes, on the order of 125-200 µm thick, can garner an improvement in material utilization and in turn capacity through the addition of fine width electrolyte channels or highly conductive electrode regions. We also present initial experimental results on CoEx NMC cathode structures.« less
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Magic Numbers in Small Iron Clusters: A First-Principles Study
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kim, Eunja; Mohrland, Andrew B.; Weck, Philippe F.
2014-10-03
We perform ab initio spin-polarized density functional calculations of Fen aggregates with n ≤ 17 atoms to reveal the origin of the observed magic numbers, which indicate particularly high stability of clusters with 7, 13 and 15 atoms. Our results clarify the controversy regarding the ground state geometry of clusters such as Fe5and indicate that magnetism plays an important role in determining the stability and magic numbers in small iron clusters.
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NASA Astrophysics Data System (ADS)
Boaretto, Nicola; Joost, Christine; Seyfried, Mona; Vezzù, Keti; Di Noto, Vito
2016-09-01
This report describes the synthesis and the properties of a series of polymer electrolytes, composed of a hybrid inorganic-organic matrix doped with LiTFSI. The matrix is based on ring-like oligo-siloxane clusters, bearing pendant, partially cross-linked, polyether chains. The dependency of the thermo-mechanic and of the transport properties on several structural parameters, such as polyether chains' length, cross-linkers' concentration, and salt concentration is studied. Altogether, the materials show good thermo-mechanical and electrochemical stabilities, with conductivities reaching, at best, 8·10-5 S cm-1 at 30 °C. In conclusion, the cell performances of one representative sample are shown. The scope of this report is to analyze the correlations between structure and properties in networked and hybrid polymer electrolytes. This could help the design of optimized polymer electrolytes for application in lithium metal batteries.
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On the Clustering of Europa's Small Craters
NASA Technical Reports Server (NTRS)
Bierhaus, E. B.; Chapman, C. R.; Merline, W. J.
2001-01-01
We analyze the spatial distribution of Europa's small craters and find that many are too tightly clustered to result from random, primary impacts. Additional information is contained in the original extended abstract.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Ben-Naim, Eli; Krapivsky, Paul
Here we generalize the ordinary aggregation process to allow for choice. In ordinary aggregation, two random clusters merge and form a larger aggregate. In our implementation of choice, a target cluster and two candidate clusters are randomly selected and the target cluster merges with the larger of the two candidate clusters.We study the long-time asymptotic behavior and find that as in ordinary aggregation, the size density adheres to the standard scaling form. However, aggregation with choice exhibits a number of different features. First, the density of the smallest clusters exhibits anomalous scaling. Second, both the small-size and the large-size tailsmore » of the density are overpopulated, at the expense of the density of moderate-size clusters. Finally, we also study the complementary case where the smaller candidate cluster participates in the aggregation process and find an abundance of moderate clusters at the expense of small and large clusters. Additionally, we investigate aggregation processes with choice among multiple candidate clusters and a symmetric implementation where the choice is between two pairs of clusters.« less
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Méndez-Morales, Trinidad; Carrete, Jesús; Bouzón-Capelo, Silvia; Pérez-Rodríguez, Martín; Cabeza, Óscar; Gallego, Luis J; Varela, Luis M
2013-03-21
Structural and dynamical properties of room-temperature ionic liquids containing the cation 1-butyl-3-methylimidazolium ([BMIM](+)) and three different anions (hexafluorophosphate, [PF6](-), tetrafluoroborate, [BF4](-), and bis(trifluoromethylsulfonyl)imide, [NTf2](-)) doped with several molar fractions of lithium salts with a common anion at 298.15 K and 1 atm were investigated by means of molecular dynamics simulations. The effect of the size of the salt cation was also analyzed by comparing these results with those for mixtures of [BMIM][PF6] with NaPF6. Lithium/sodium solvation and ionic mobilities were analyzed via the study of radial distribution functions, coordination numbers, cage autocorrelation functions, mean-square displacements (including the analysis of both ballistic and diffusive regimes), self-diffusion coefficients of all the ionic species, velocity and current autocorrelation functions, and ionic conductivity in all the ionic liquid/salt systems. We found that lithium and sodium cations are strongly coordinated in two different positions with the anion present in the mixture. Moreover, [Li](+) and [Na](+) cations were found to form bonded-like, long-lived aggregates with the anions in their first solvation shell, which act as very stable kinetic entities within which a marked rattling motion of salt ions takes place. With very long MD simulation runs, this phenomenon is proved to be on the basis of the decrease of self-diffusion coefficients and ionic conductivities previously reported in experimental and computational results.
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Alam, Todd M.; Jenkins, Janelle E.; Bolintineanu, Dan S.; Stevens, Mark J.; Frischknecht, Amalie L.; Buitrago, C. Francisco; Winey, Karen I.; Opper, Kathleen L.; Wagener, Kenneth B.
2012-01-01
The carboxylic acid proton and the lithium coordination environments for precise and random Li-neutralized polyethylene acrylic acid P(E-AA) ionomers were explored using high speed solid-state 1H and 7Li MAS NMR. While the 7Li NMR revealed only a single Li coordination environment, the chemical shift temperature variation was dependent on the precise or random nature of the P(E-AA) ionomer. The 1H MAS NMR revealed two different carboxylic acid proton environments in these materials. By utilizing 1H-7Li rotational echo double resonance (REDOR) MAS NMR experiments, it was demonstrated that the proton environments correspond to different average 1H-7Li distances, with the majority of the protonated carboxylic acids having a close through space contact with the Li. Molecular dynamics simulations suggest that the shortest 1H-7Li distance corresponds to un-neutralized carboxylic acids directly involved in the coordination environment of Li clusters. These solid-state NMR results show that heterogeneous structural motifs need to be included when developing descriptions of these ionomer materials.
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NASA Astrophysics Data System (ADS)
Friedland, Werner; Kundrat, Pavel; Schmitt, Elke
2016-07-01
Detailed understanding of the enhanced relative biological effectiveness (RBE) of ions, in particular at high linear energy transfer (LET) values, is needed to fully explore the radiation risk of manned space missions. It is generally accepted that the enhanced RBE of high-LET particles results from the DNA lesion patterns, in particular DNA double-strand breaks (DSB), due to the spatial clustering of energy deposits around their trajectories. In conventional experiments on biological effects of radiation types of diverse quality, however, clustering of energy deposition events on nanometer scale that is relevant for the induction and local complexity of DSB is inherently interlinked with regional (sub-)micrometer-scale DSB clustering along the particle tracks. Due to this limitation, the role of both (nano- and micrometer) scales on the induction of diverse biological endpoints cannot be frankly separated. To address this issue in a unique way, experiments at the ion microbeam SNAKE [1] and corresponding track-structure based model calculations of DSB induction and subsequent repair with the biophysical code PARTRAC [2] have been performed. In the experiments, hybrid human-hamster A_{L} cells were irradiated with 20 MeV (2.6 keV/μm) protons, 45 MeV (60 keV/μm) lithium ions or 55 MeV (310 keV/μm) carbon ions. The ions were either quasi-homogeneously distributed or focused to 0.5 x 1 μm^{2} spots on regular matrix patterns of 5.4 μm, 7.6 μm and 10.6 μm grid size, with pre-defined particle numbers per spot so as to deposit a mean dose of 1.7 Gy for all irradiation patterns. As expected, the induction of dicentrics by homogeneous irradiation increased with LET: lithium and carbon ions induced about two- and four-fold higher yields of dicentrics than protons. The induction of dicentrics is, however, affected by µm-scale, too: focusing 20 lithium ions or 451 protons per spot on a 10.6 μm grid induced two or three times more dicentrics, respectively, than a quasi-homogenous irradiation with these particles [3]. PARTRAC calculations of initial DNA damage showed that the sub-micrometer beam focusing of the ions in these experiments affects neither DSB yields nor local DSB complexity, but considerably enhances the formation of DSB fragments of 10 - 1000 kbp size [4], corresponding to DSB pairs in about 100 - 500 nm distance. Thus, the substantial impact of ion focusing on dicentric induction points out that nanoscale DNA damage clustering can explain only partly the increased RBE of high LET radiation regarding dicentric induction. The measured trends for dicentric induction as a function of grid size (or particle number per spot) were largely reproduced by the calculated induction of total chromosomal aberrations, whereas the calculation of dicentrics yielded apparent discrepancies, such as an overestimation of the focusing effect for protons and of the yield for quasi-homogeneous lithium ions [3]. Since this incongruity was found to be rather robust against model parameter variations, a more basic review of the chromosomal aberration model with in-depth testing of several hypotheses on the origin of misrejoining events of DNA ends has been started considering the reported experimental findings. The results of ongoing parameter studies will be presented at the meeting. Acknowledgement. This work was supported by the German Federal Ministry of Education and Research (Project 'LET-Verbund', Funding no. 02NUK031C). References [1] Schmid et al. 2012 Phys. Med. Biol. 57, 5889-5907 [2] Friedland et al. 2011 Mutat. Res. 711, 28-40 [3] Schmid et al. 2015 Mutat. Res. 793, 30-40 [4] Friedland et al. 2015 Radiat. Prot. Dosim. 166, 34-37
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Computational Design of Clusters for Catalysis
NASA Astrophysics Data System (ADS)
Jimenez-Izal, Elisa; Alexandrova, Anastassia N.
2018-04-01
When small clusters are studied in chemical physics or physical chemistry, one perhaps thinks of the fundamental aspects of cluster electronic structure, or precision spectroscopy in ultracold molecular beams. However, small clusters are also of interest in catalysis, where the cold ground state or an isolated cluster may not even be the right starting point. Instead, the big question is: What happens to cluster-based catalysts under real conditions of catalysis, such as high temperature and coverage with reagents? Myriads of metastable cluster states become accessible, the entire system is dynamic, and catalysis may be driven by rare sites present only under those conditions. Activity, selectivity, and stability are highly dependent on size, composition, shape, support, and environment. To probe and master cluster catalysis, sophisticated tools are being developed for precision synthesis, operando measurements, and multiscale modeling. This review intends to tell the messy story of clusters in catalysis.
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Li-doped MgO as catalysts for oxidative coupling of methane: A positron annihilation study
NASA Astrophysics Data System (ADS)
Dai, G. H.; Yan, Q. J.; Wang, Y.; Liu, Q. S.
1991-08-01
Magnesium oxides intentionally doped with lithium (with a maximum Li content of 40 tool%) for use as catalysts for oxidative coupling of methane were characterized by means of positron annihilation. The positron lifetime spectra, which could be reasonably well interpreted within the framework of the well-known trapping model, depend on the amount of Li doping of the MgO suggesting that positrons are trapped at dispersed small Li 2CO 3 precipitates. Very similar dependencies on lithium doping of the C 2 selectivity and the positron trapping rate ϰ imply an intimate relationship between the concentration of [Li] 0-centers (also referred to as [Li +O -] centers) and the selective activity of Li/MgO during catalytic reactions.
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Integration Issues of Cells into Battery Packs for Plug-in and Hybrid Electric Vehicles: Preprint
DOE Office of Scientific and Technical Information (OSTI.GOV)
Pesaran, A. A.; Kim, G. H.; Keyser, M.
2009-05-01
The main barriers to increased market share of hybrid electric vehicles (HEVs) and commercialization of plug-in HEVs are the cost, safety, and life of lithium ion batteries. Significant effort is being directed to address these issues for lithium ion cells. However, even the best cells may not perform as well when integrated into packs for vehicles because of the environment in which vehicles operate. This paper discusses mechanical, electrical, and thermal integration issues and vehicle interface issues that could impact the cost, life, and safety of the system. It also compares the advantages and disadvantages of using many small cellsmore » versus a few large cells and using prismatic cells versus cylindrical cells.« less
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A survey of advanced battery systems for space applications
NASA Technical Reports Server (NTRS)
Attia, Alan I.
1989-01-01
The results of a survey on advanced secondary battery systems for space applications are presented. The objectives were: to identify advanced battery systems capable of meeting the requirements of various types of space missions, with significant advantages over currently available batteries, to obtain an accurate estimate of the anticipated improvements of these advanced systems, and to obtain a consensus for the selection of systems most likely to yield the desired improvements. Few advanced systems are likely to exceed a specific energy of 150 Wh/kg and meet the additional requirements of safety and reliability within the next 15 years. The few that have this potential are: (1) regenerative fuel cells, both alkaline and solid polymer electrolyte (SPE) types for large power systems; (2) lithium-intercalatable cathodes, particularly the metal ozides intercalatable cathodes (MnO2 or CoO2), with applications limited to small spacecrafts requiring limited cycle life and low power levels; (3) lithium molten salt systems (e.g., LiAl-FeS2); and (4) Na/beta Alumina/Sulfur or metal chlorides cells. Likely technological advances that would enhance the performance of all the above systems are also identified, in particular: improved bifunctional oxygen electrodes; improved manufacturing technology for thin film lithium electrodes in combination with polymeric electrolytes; improved seals for the lithium molten salt cells; and improved ceramics for sodium/solid electrolyte cells.
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NASA Astrophysics Data System (ADS)
Kim, Jongsoon; Kim, Hyungsub; Myung, Seung-Taek; Yoo, Jung-Keun; Lee, Seongsu
2018-01-01
Mn-rich olivine LiFe0.3Mn0.7PO4 is homogenously encapsulated by an ∼3-nm-thick conductive nanolayer composed of the glassy lithium fluorophosphate through simple non-stoichiometric synthesis using additives of small amounts of LiF and a phosphorus source. The coating of the glassy lithium fluorophosphate nanolayer is clearly verified using transmission electron microscopy and X-ray photoelectron spectroscopy. It enables significant decrease in charge transfer resistance of LiFe0.3Mn0.7PO4 and improvement of its sluggish Li diffusion. At a rate of 10C, the LiFe0.3Mn0.7PO4 encapsulated by conductive glassy lithium fluorophosphate (LiFe0.3Mn0.7PO4-GLFP) electrode delivers a capacity of ∼130 mAh g-1, which is ∼77% of its theoretical capacity (∼170 mAh g-1) and ∼1.5 times higher than that of the pristine counterpart at 10C. Furthermore, LiFe0.3Mn0.7PO4-GLFP achieves outstanding cycle stability (∼75% retention of its initial capacity over 500 cycles at 1C). The proposed olivine LiFe0.3Mn0.7PO4-GLFP battery is thus expected to be a promising candidate for large-scale energy storage applications.
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Graphene composites as anode materials in lithium-ion batteries
NASA Astrophysics Data System (ADS)
Mazar Atabaki, M.; Kovacevic, R.
2013-03-01
Since the world of mobile phones and laptops has significantly altered by a big designer named Steve Jobs, the electronic industries have strived to prepare smaller, thinner and lower weight products. The giant electronic companies, therefore, compete in developing more efficient hardware such as batteries used inside the small metallic or polymeric frame. One of the most important materials in the production lines is the lithium-based batteries which is so famous for its ability in recharging as many times as a user needs. However, this is not an indication of being long lasted, as many of the electronic devices are frequently being used for a long time. The performance, chemistry, safety and above all cost of the lithium ion batteries should be considered when the design of the compounds are at the top concern of the engineers. To increase the efficiency of the batteries a combination of graphene and nanoparticles is recently introduced and it has shown to have enormous technological effect in enhancing the durability of the batteries. However, due to very high electronic conductivity, these materials can be thought of as preparing the anode electrode in the lithiumion battery. In this paper, the various approaches to characterize different types of graphene/nanoparticles and the process of preparing the anode for the lithium-ion batteries as well as their electrical properties are discussed.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Liu, Hua Kun, E-mail: hua@uow.edu.au
2013-12-15
Graphical abstract: Nanomaterials play important role in lithium ion batteries, supercapacitors, hydrogen storage and fuel cells. - Highlights: • Nanomaterials play important role for lithium rechargeable batteries. • Nanostructured materials increase the capacitance of supercapacitors. • Nanostructure improves the hydrogenation/dehydrogenation of hydrogen storage materials. • Nanomaterials enhance the electrocatalytic activity of the catalysts in fuel cells. - Abstract: There is tremendous worldwide interest in functional nanostructured materials, which are the advanced nanotechnology materials with internal or external dimensions on the order of nanometers. Their extremely small dimensions make these materials unique and promising for clean energy applications such as lithiummore » ion batteries, supercapacitors, hydrogen storage, fuel cells, and other applications. This paper will highlight the development of new approaches to study the relationships between the structure and the physical, chemical, and electrochemical properties of functional nanostructured materials. The Energy Materials Research Programme at the Institute for Superconducting and Electronic Materials, the University of Wollongong, has been focused on the synthesis, characterization, and applications of functional nanomaterials, including nanoparticles, nanotubes, nanowires, nanoporous materials, and nanocomposites. The emphases are placed on advanced nanotechnology, design, and control of the composition, morphology, nanostructure, and functionality of the nanomaterials, and on the subsequent applications of these materials to areas including lithium ion batteries, supercapacitors, hydrogen storage, and fuel cells.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Bhatia, Harsh; Gyulassy, Attila; Ong, Mitchell
2016-09-27
The performance of lithium-ion batteries is strongly influenced by the ionic conductivity of the electrolyte, which depends on the speed at which Li ions migrate across the cell and relates to their solvation structure. The choice of solvent can greatly impact, both, the solvation and diffusivity of Li ions. In this work, we present our application of the topological techniques to extract and predict such behavior in the data generated by the first-principles molecular dynamics simulation of Li ions in an important organic solvent -ethylene carbonate. More specifically, we use the scalar topology of the electron charge density field tomore » analyze the evolution of the solvation structures. This allows us to derive a parameter-free bond definition for lithium-oxygen bonds, to provide a quantitative measure for bond strength, and to understand the regions of influence of each atom in the simulation. This has provided new insights into how and under what conditions certain bonds may form and break. As a result, we can identify and, more importantly, predict, unstable configurations in solvation structures. This can be very useful in understanding when small changes to the atoms' movements can cause significantly different bond structures to evolve. Ultimately, this promises to allow scientists to explore lithium ion solvation and diffusion more systematically, with the aim of new insights and potentially accelerating the calculations themselves.« less
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Neutron Scattering Studies of the Hydration Structure of Li +
Mason, P. E.; Ansell, S.; Neilson, G. W.; ...
2015-01-05
New results derived from the experimental method of neutron diffraction and isotopic substitution (NDIS) are presented for the hydration structure of the lithium cation (Li +) in aqueous solutions of lithium chloride in heavy water (D 2O) at concentrations of 6, 3 and 1 molal and at 1.5 molal lithium sulphate. By introducing new and more accurate data reduction procedures than in our earlier studies (Howell and Neilson, (1996)), we find in the first hydration shell of Li +,~4.3(2) water molecules at 6 molal, 4.9(3) at 3 molal, 4.8(3) at 1 molal in the LiCl solutions, and 5.0(3) water moleculesmore » in the case of Li 2SO 4 solution. The general form of the first hydration shell is similar in all four solutions, with the correlations for Li-O and Li-D sited at 1.96 (0.02) Å and 2.58 (0.02) Å, respectively. The results resemble those presented in 1996 in terms of ion-water distances and local coordination, but the hydration number is significantly lower for the case at 1 molal than the 6.5 (1.0) given at that time. Thus, experimental and theoretical results now agree that lithium is hydrated by a small number of waters (4-5) in the nearest coordination shell.« less
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NASA Astrophysics Data System (ADS)
Sreejesh, M.; Shenoy, Sulakshana; Sridharan, Kishore; Kufian, D.; Arof, A. K.; Nagaraja, H. S.
2017-07-01
Electrochemical sensors and lithium-ion batteries are two important topics in electrochemistry that have attracted much attention owing to their extensive applications in enzyme-free biosensors and portable electronic devices. Herein, we report a simple hydrothermal approach for synthesizing composites of melt quenched vanadium oxide embedded on graphene oxide of equal proportion (MVGO50) for the fabrication of electrodes for nonenzymatic amperometic dopamine sensor and lithium-ion battery applications. The sensing performance of MVGO50 electrodes through chronoamperometry studies in 0.1 M PBS solution (at pH 7) over a wide range of dopamine concentration exhibited a highest sensitivity of 25.02 μA mM-1 cm-2 with the lowest detection limit of 0.07 μM. In addition, the selective sensing capability of MVGO50 was also tested through chronoamperometry studies by the addition of a very small concentration of dopamine (10 μM) in the presence of a fairly higher concentration of uric acid (10 mM) as the interfering species. Furthermore, the reversible lithium cycling properties of MVGO50 are evaluated by galvanostatic charge-discharge cycling studies. MVGO50 electrodes exhibited enhanced rate capacity of up to 200 mAhg-1 at a current of 0.1C rate and remained stable during cycling. These results indicate that MVGO composites are potential candidates for electrochemical device applications.
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NASA Astrophysics Data System (ADS)
Sitek, M.; Szymański, M. K.; Udalski, A.; Skowron, D. M.; Kostrzewa-Rutkowska, Z.; Skowron, J.; Karczmarek, P.; Cieślar, M.; Wyrzykowski, Ł.; Kozłowski, S.; Pietrukowicz, P.; Soszyński, I.; Mróz, P.; Pawlak, M.; Poleski, R.; Ulaczyk, K.
2017-12-01
The Magellanic System (MS) encompasses the nearest neighbors of the Milky Way, the Large (LMC) and Small (SMC) Magellanic Clouds, and the Magellanic Bridge (MBR). This system contains a diverse sample of star clusters. Their parameters, such as the spatial distribution, chemical composition and age distribution yield important information about the formation scenario of the whole Magellanic System. Using deep photometric maps compiled in the fourth phase of the Optical Gravitational Lensing Experiment (OGLE-IV) we present the most complete catalog of star clusters in the Magellanic System ever constructed from homogeneous, long time-scale photometric data. In this second paper of the series, we show the collection of star clusters found in the area of about 360 square degrees in the MBR and in the outer regions of the SMC. Our sample contains 198 visually identified star cluster candidates, 75 of which were not listed in any of the previously published catalogs. The new discoveries are mainly young small open clusters or clusters similar to associations.
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Hou, Guangmei; Ma, Xiaoxin; Sun, Qidi; Ai, Qing; Xu, Xiaoyan; Chen, Lina; Li, Deping; Chen, Jinghua; Zhong, Hai; Li, Yang; Xu, Zhibin; Si, Pengchao; Feng, Jinkui; Zhang, Lin; Ding, Fei; Ci, Lijie
2018-06-06
The electrode-electrolyte interface stability is a critical factor influencing cycle performance of All-solid-state lithium batteries (ASSLBs). Here, we propose a LiF- and Li 3 N-enriched artificial solid state electrolyte interphase (SEI) protective layer on metallic lithium (Li). The SEI layer can stabilize metallic Li anode and improve the interface compatibility at the Li anode side in ASSLBs. We also developed a Li 1.5 Al 0.5 Ge 1.5 (PO 4 ) 3 -poly(ethylene oxide) (LAGP-PEO) concrete structured composite solid electrolyte. The symmetric Li/LAGP-PEO/Li cells with SEI-protected Li anodes have been stably cycled with small polarization at a current density of 0.05 mA cm -2 at 50 °C for nearly 400 h. ASSLB-based on SEI-protected Li anode, LAGP-PEO electrolyte, and LiFePO 4 (LFP) cathode exhibits excellent cyclic stability with an initial discharge capacity of 147.2 mA h g -1 and a retention of 96% after 200 cycles.
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NASA Technical Reports Server (NTRS)
Tigelaar, Dean M.; Palker, Allyson E.; Meador, Mary Ann B.; Bennett, William R.
2008-01-01
A highly cross-linked polyimide-polyethylene oxide copolymer has been synthesized that is capable of holding large volumes of liquid component, simultaneously maintaining good dimensional stability. An amine end capped oligomer was made that was imidized in solution, followed by reaction with a triisocyanate in the presence of desired additives at ambient temperature. Polymer films are able to hold over 4 times their weight in room temperature ionic liquid RTIL or carbonate solvent. Electrolytes were studied that contained varying amounts of RTIL, lithium trifluoromethanesulfonimide LiTFSi, and alumina nanoparticles. Electrochemical stability of these electrolytes with lithium metal electrodes was studied by galvanic cycling and impedance spectroscopy. Improved cycling stability and decreased interfacial resistance were observed when increasing amounts of RTIL and LiTFSi were added. The addition of small amounts of alumina further decreased interfacial resistance by nearly an order of magnitude. During the course of the study, cycling stability increased from less than 3 to greater than 1000 h at 60 C and 0.25 mA/cm2 current density.
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Ritzberger, Christian; Apel, Elke; Höland, Wolfram; Peschke, Arnd; Rheinberger, Volker M.
2010-01-01
The main properties (mechanical, thermal and chemical) and clinical application for dental restoration are demonstrated for three types of glass-ceramics and sintered polycrystalline ceramic produced by Ivoclar Vivadent AG. Two types of glass-ceramics are derived from the leucite-type and the lithium disilicate-type. The third type of dental materials represents a ZrO2 ceramic. CAD/CAM technology is a procedure to manufacture dental ceramic restoration. Leucite-type glass-ceramics demonstrate high translucency, preferable optical/mechanical properties and an application as dental inlays, onlays and crowns. Based on an improvement of the mechanical parameters, specially the strength and toughness, the lithium disilicate glass-ceramics are used as crowns; applying a procedure to machine an intermediate product and producing the final glass-ceramic by an additional heat treatment. Small dental bridges of lithium disilicate glass-ceramic were fabricated using a molding technology. ZrO2 ceramics show high toughness and strength and were veneered with fluoroapatite glass-ceramic. Machining is possible with a porous intermediate product.
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NASA Astrophysics Data System (ADS)
Meddings, Nina; Owen, John R.; Garcia-Araez, Nuria
2017-10-01
Lithium ion conducting membranes are important to protect the lithium metal electrode and act as a barrier to crossover species such as polysulphides in Li-S systems, redox mediators in Li-O2 cells or dissolved cathode species or electrolyte oxidation products in high voltage Li-ion batteries. We present an in-situ method for measuring permeability of membranes to crossover redox species. The method employs a 'Swagelok' cell design equipped with a glassy carbon working electrode, in which redox species are placed initially in the counter electrode compartment only. Permeability through the membrane, which separates working and counter electrodes, is determined using a square wave voltammetry technique that allows the concentration of crossover redox species to be evaluated over time with very high precision. We test the method using a model and well-behaved electrochemical system to demonstrate its sensitivity, reproducibility and reliability relative to alternative approaches. This new method offers advantages in terms of small electrolyte volume, and simple, fast, quantitative and in-situ measurement.
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Infrared Emissivity of Tin upon Release of a 25 GPa Shock into a LiF Window
DOE Office of Scientific and Technical Information (OSTI.GOV)
Turley, W. D., Holtkamp, D. B., Marshall, B. R., Stevens, G. D., Veeser, L. R.
We measured the emissivity of a tin sample at its interface with a lithium-fluoride window upon release of a 25 GPa shock wave from the tin into the window. Measurements were made over four wavelength bands between 1.2 and 5.4 μm. Thermal emission backgrounds from the tin, glue, and lithium fluoride were successfully removed from the reflectance signals. Emissivity changes for the sample, which was initially nearly specular, were small except for the longest wavelength band, where uncertainties were high because of poor signal-to-noise ratio at that wavelength. A thin glue layer, which bonds the sample to the window, wasmore » found to heat from reverberations of the shock wave between the tin and the lithium fluoride. At approximately 3.4 μm the thermal emission from the glue was large compared to the tin, allowing a good estimate of the glue temperature from the thermal radiance. The glue appears to remain slightly colder than the tin, thereby minimizing heat conduction into or out of the tin immediately after the shock passage.« less
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Liang, Zhicong; Fan, Xiaofeng; Zheng, Weitao; Singh, David J
2017-05-24
Layered carbon is a likely anode material for Na-ion batteries (NIBs). Graphitic carbon has a low capacity of approximately 35 (mA h)/g due to the formation of NaC 64 . Using first-principles methods including van der Waals interactions, we analyze the adsorption of Na ions and clusters on graphene in the context of anodes. The interaction between Na ions and graphene is found to be weak. Small Na clusters are not stable on the surface of pristine graphene in the electrochemical environment of NIBs. However, we find that Na ions and clusters can be stored effectively on defected graphene that has double vacancies. In addition, the adsorption energy of small Na clusters near a double vacancy is found to decrease with increasing cluster size. With high concentrations of vacancies the capacity of Na on defective graphene is found to be as much as 10-30 times higher than that of graphitic carbon.
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Henry, David; Dymnicki, Allison B.; Mohatt, Nathaniel; Allen, James; Kelly, James G.
2016-01-01
Qualitative methods potentially add depth to prevention research, but can produce large amounts of complex data even with small samples. Studies conducted with culturally distinct samples often produce voluminous qualitative data, but may lack sufficient sample sizes for sophisticated quantitative analysis. Currently lacking in mixed methods research are methods allowing for more fully integrating qualitative and quantitative analysis techniques. Cluster analysis can be applied to coded qualitative data to clarify the findings of prevention studies by aiding efforts to reveal such things as the motives of participants for their actions and the reasons behind counterintuitive findings. By clustering groups of participants with similar profiles of codes in a quantitative analysis, cluster analysis can serve as a key component in mixed methods research. This article reports two studies. In the first study, we conduct simulations to test the accuracy of cluster assignment using three different clustering methods with binary data as produced when coding qualitative interviews. Results indicated that hierarchical clustering, K-Means clustering, and latent class analysis produced similar levels of accuracy with binary data, and that the accuracy of these methods did not decrease with samples as small as 50. Whereas the first study explores the feasibility of using common clustering methods with binary data, the second study provides a “real-world” example using data from a qualitative study of community leadership connected with a drug abuse prevention project. We discuss the implications of this approach for conducting prevention research, especially with small samples and culturally distinct communities. PMID:25946969
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Henry, David; Dymnicki, Allison B; Mohatt, Nathaniel; Allen, James; Kelly, James G
2015-10-01
Qualitative methods potentially add depth to prevention research but can produce large amounts of complex data even with small samples. Studies conducted with culturally distinct samples often produce voluminous qualitative data but may lack sufficient sample sizes for sophisticated quantitative analysis. Currently lacking in mixed-methods research are methods allowing for more fully integrating qualitative and quantitative analysis techniques. Cluster analysis can be applied to coded qualitative data to clarify the findings of prevention studies by aiding efforts to reveal such things as the motives of participants for their actions and the reasons behind counterintuitive findings. By clustering groups of participants with similar profiles of codes in a quantitative analysis, cluster analysis can serve as a key component in mixed-methods research. This article reports two studies. In the first study, we conduct simulations to test the accuracy of cluster assignment using three different clustering methods with binary data as produced when coding qualitative interviews. Results indicated that hierarchical clustering, K-means clustering, and latent class analysis produced similar levels of accuracy with binary data and that the accuracy of these methods did not decrease with samples as small as 50. Whereas the first study explores the feasibility of using common clustering methods with binary data, the second study provides a "real-world" example using data from a qualitative study of community leadership connected with a drug abuse prevention project. We discuss the implications of this approach for conducting prevention research, especially with small samples and culturally distinct communities.
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Thieme, Katrin; Avramov, Isak; Rüssel, Christian
2016-01-01
The addition of small amounts of niobium or tantalum oxide to lithium disilicate glass provokes a drastic decrease of the steady-state nucleation rates and the crystal growth velocities. The viscosity of the residual glassy matrix is considered as a function of the crystallization degree in the course of a non-isothermal crystallization. For simplification, a homogeneous distribution of the added oxides in the glass matrix is assumed. While the viscosity initially decreases, it significantly increases again for higher crystallization degrees hindering crystal growth. However, it was shown that the additives are enriched at the crystal interface. Several possible reasons for the inhibition of nucleation and growth kinetics such as viscosity, interfacial energy crystal/glassy phase, thermodynamic driving force or impingement rate are discussed. Since the crystallization front is blocked by the additives the impingement rate is decreased with increasing additive concentration. Since small concentrations of Nb2O5 and Ta2O5 have a drastic effect on the nucleation, these components should be enriched at the interface crystal/glass. This will only take place, if it leads to a decrease in the interfacial energy. Since this effect alone should result in an increase of the nucleation rate, it must be overcompensated by kinetic effects. PMID:27150844
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Stabilization of flat aromatic Si6 rings analogous to benzene: ab initio theoretical prediction.
Zdetsis, Aristides D
2007-12-07
It is shown by ab initio calculations, based on density functional (DFT/B3LYP), and high level coupled-cluster [CCSD(T)] and quadratic CI [QCISD(T)] methods, that flat aromatic silicon structures analogous to benzene (C6H6) can be stabilized in the presence of lithium. The resulting planar Si6Li6 structure is both stable and aromatic, sharing many key characteristics with benzene. To facilitate possible synthesis and characterization of these species, routes of formation with high exothermicity are suggested and several spectral properties (including optical absorption, infrared, and Raman) are calculated.
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Tunca, Zeliha; Ozerdem, Aysegul; Ceylan, Deniz; Yalçın, Yaprak; Can, Güneş; Resmi, Halil; Akan, Pınar; Ergör, Gül; Aydemir, Omer; Cengisiz, Cengiz; Kerim, Doyuran
2014-09-01
Brain-derived neurotrophic factor (BDNF) has been consistently reported to be decreased in mania or depression in bipolar disorders. Evidence suggests that Glial cell line-derived neurotrophic factor (GDNF) has a role in the pathogenesis of mood disorders. Whether GDNF and BDNF act in the same way across different episodes in bipolar disorders is unclear. BDNF and GDNF serum levels were measured simultaneously by enzyme-linked immunosorbent assay (ELISA) method in 96 patients diagnosed with bipolar disorder according to DSM-IV (37 euthymic, 33 manic, 26 depressed) in comparison to 61 healthy volunteers. SCID- I and SCID-non patient version were used for clinical evaluation of the patients and healthy volunteers respectively. Correlations between the two trophic factor levels, and medication dose, duration and serum levels of lithium or valproate were studied across different episodes of illness. Patients had significantly lower BDNF levels during mania and depression compared to euthymic patients and healthy controls. GDNF levels were not distinctive. However GDNF/BDNF ratio was higher in manic state compared to euthymia and healthy controls. Significant negative correlation was observed between BDNF and GDNF levels in euthymic patients. While BDNF levels correlated positively, GDNF levels correlated negatively with lithium levels. Regression analysis confirmed that lithium levels predicted only GDNF levels positively in mania, and negatively in euthymia. Small sample size in different episodes and drug-free patients was the limitation of thestudy. Current data suggests that lithium exerts its therapeutic action by an inverse effect on BDNF and GDNF levels, possibly by up-regulating BDNF and down-regulating GDNF to achieve euthymia. Copyright © 2014 Elsevier B.V. All rights reserved.
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Chen, Lin; Liu, Yuzi; Zhang, Fan; Liu, Caihong; Shaw, Leon L
2015-11-25
The lithium-sulfur (Li-S) battery is a great alternative to the state-of-the-art lithium ion batteries due to its high energy density. However, low utilization of active materials, the insulating nature of sulfur or lithium sulfide (Li2S), and polysulfide dissolution in organic liquid electrolyte lead to low initial capacity and fast performance degradation. Herein, we propose a facile and viable approach to address these issues. This new approach entails synthesis of Li2S/carbon black (Li2S/CB) cores encapsulated by a nitrogen-doped carbon shell with polyvinylpyrrolidone (PVP) assistance. Combining energy-filtered transmission electron microscopy (EFTEM) elemental mappings, XPS and FTIR measurements, it is confirmed that the as-synthesized material has a structure of a Li2S/CB core with a nitrogen-doped carbon shell (denoted as Li2S/CB@NC). The Li2S/CB@NC cathode yields an exceptionally high initial capacity of 1020 mAh/g based on Li2S mass at 0.1 C with stable Coulombic efficiency of 99.7% over 200 cycles. Also, cycling performance shows the capacity decay per cycle as small as 0.17%. Most importantly, to further understand the materials for battery applications, field emission transmission electron microscopy (FETEM) and elemental mapping tests without exposure to air for Li2S samples in cycled cells are reported. Along with the first ever FETEM and field emission scanning electron microscopy (FESEM) investigations of cycled batteries, Li2S/CB@NC cathode demonstrates the capability of robust core-shell nanostructures for different rates and improved capacity retention, revealing Li2S/CB@NC designed here as an outstanding system for high-performance lithium-sulfur batteries.
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2004-01-01
ion battery pack sized for endurance speed. The flexible optimization routine allows relative importance to be assigned between the use of gasoline...simulation results are provided. The two-point conceptual design includes an internal combustion engine sized for cruise and an electric motor and lithium
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2013-08-15
DR. BINAYAK PANDA LOADS A SAMPLE IN THE IMS-6F SECONDARY ION MASS SPECTROSCOPE’S ULTRA HIGH VACUUM CHAMBER. IT IS CAPABLE OF ANALYZING VERY LIGHT ELEMENTS SUCH AS HYDROGEN AND LITHIUM IN ALLOYS. IT CAN ALSO ANALYZE VERY SMALL QUANTITIES OF IMPURITIES IN MATERIALS AT PARTS PER MILLION LEVELS, AND DETERMINE ISOTOPE RATIOS OF ELEMENTS, ALL IN SOLID SAMPLES.
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Cathodoluminescence and Photoemission of Doped Lithium Tetraborate
2011-03-01
7Li B O ) crystals are being developed for possible use in solid state neutron detectors . Already used in thermoluminescent dosimeters, enriched 2 4...Page 1. Detector Conversion Reactions [5...wide use applications. [1] The ideal neutron detector would either be hand held or small enough to be used at ports of embarkation or attached to
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Mission Applicability Assessment of Integrated Power Components and Systems
NASA Technical Reports Server (NTRS)
Raffaelle, R. P.; Hepp, A. F.; Landis, G. A.; Hoffman, D. J.
2002-01-01
The need for smaller lightweight autonomous power systems has recently increased with the increasing focus on micro- and nanosatellites. Small area high-efficiency thin film batteries and solar cells are an attractive choice for such applications. The NASA Glenn Research Center, Johns Hopkins Applied Physics Laboratory, Lithium Power Technologies, MicroSat Systems, and others, have been working on the development of autonomous monolithic packages combining these elements or what are called integrated power supplies (IPS). These supplies can be combined with individual satellite components and are capable of providing continuous power even under intermittent illumination associated with a spinning or Earth orbiting satellite. This paper discusses the space mission applicability, benefits, and current development efforts associated with integrated power supply components and systems. The characteristics and several mission concepts for an IPS that combines thin-film photovoltaic power generation with thin-film lithium ion energy storage are described. Based on this preliminary assessment, it is concluded that the most likely and beneficial application of an IPS will be for small "nanosatellites" or in specialized applications serving as a decentralized or as a distributed power source or uninterruptible power supply.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Dahiya, M. S.; Khasa, S., E-mail: skhasa@yahoo.com; Yadav, Arti
2016-05-23
Lithium bismuth borate glasses containing different amounts of cobalt and iron oxides having chemical composition xFe{sub 2}O{sub 3}•(20-x)CoO•30Li{sub 2}O•10Bi{sub 2}O{sub 3}•40B{sub 2}O{sub 3} (x = 0, 5, 10, 15 and 20 mol% abbreviated as CFLBB1-5 respectively) prepared via melt quench technique have been investigated for their dc electrical conductivity. The amorphous nature of prepared glasses has been confirmed through X-ray diffraction measurements. The dc electrical conductivity has been analyzed by applying Mott’s small polaron hopping model. Activation energies corresponding to lower and higher temperature region have been evaluated. The iron ion concentration (N), mean spacing between iron ions (R) and polaronmore » radius (R{sub p}) has been evaluated using the values of phonon radius (R{sub ph}) and Debye temperature (θ{sub D}). The glass sample without iron (CFLBB1) shows ionic conductivity but the incorporation of iron in the glass matrix results in the appearance of electronic conductivity.« less
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VizieR Online Data Catalog: Pleiades members stellar properties (Somers+, 2017)
NASA Astrophysics Data System (ADS)
Somers, G.; Stassun, K. G.
2018-04-01
We began with the newly assembled catalog of literature lithium measurements reported by Barrado et al. (2016, J/A+A/596/A113), who accepted only stars with membership probability >0.75. A small number of Pleiads lie behind an HI cloud, and are thus far more extincted than the rest (e.g., Gordon & Arny 1984AJ.....89..672G); for simplicity, we discard these members. We then cross-correlated this sample with the famous UBV photometric catalog of Johnson & Mitchell (1958ApJ...128...31J), who produced homogeneous photometry for a large sample of Pleiades members. We further selected stars with measured rotation rates, either from the HATNet collaboration (Hartman et al. 2010, J/MNRAS/408/475), or the recent analysis of K2 data (Rebull et al. 2016, J/AJ/152/113, J/AJ/152/114; Stauffer et al. 2016, J/AJ/152/115), preferring the latter for joint detections. Finally, we queried VizieR (http://vizier.u-strasbg.fr/) to obtain KS-band magnitudes from the Two-Micron All-Sky Survey (2MASS) catalog (Skrutskie et al. 2006, Cat. VII/233), which detected every star in our reduced sample. These criteria produced a total of 83 high-probability cluster members, stretching from early-F to late-K type. (3 data files).
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Effect of dose and size on defect engineering in carbon cluster implanted silicon wafers
NASA Astrophysics Data System (ADS)
Okuyama, Ryosuke; Masada, Ayumi; Shigematsu, Satoshi; Kadono, Takeshi; Hirose, Ryo; Koga, Yoshihiro; Okuda, Hidehiko; Kurita, Kazunari
2018-01-01
Carbon-cluster-ion-implanted defects were investigated by high-resolution cross-sectional transmission electron microscopy toward achieving high-performance CMOS image sensors. We revealed that implantation damage formation in the silicon wafer bulk significantly differs between carbon-cluster and monomer ions after implantation. After epitaxial growth, small and large defects were observed in the implanted region of carbon clusters. The electron diffraction pattern of both small and large defects exhibits that from bulk crystalline silicon in the implanted region. On the one hand, we assumed that the silicon carbide structure was not formed in the implanted region, and small defects formed because of the complex of carbon and interstitial silicon. On the other hand, large defects were hypothesized to originate from the recrystallization of the amorphous layer formed by high-dose carbon-cluster implantation. These defects are considered to contribute to the powerful gettering capability required for high-performance CMOS image sensors.
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Olovnikov, Ivan; Abramov, Yuri; Kalmykova, Alla
2014-01-01
The control of transposable element (TE) activity in germ cells provides genome integrity over generations. A distinct small RNA–mediated pathway utilizing Piwi-interacting RNAs (piRNAs) suppresses TE expression in gonads of metazoans. In the fly, primary piRNAs derive from so-called piRNA clusters, which are enriched in damaged repeated sequences. These piRNAs launch a cycle of TE and piRNA cluster transcript cleavages resulting in the amplification of piRNA and TE silencing. Using genome-wide comparison of TE insertions and ovarian small RNA libraries from two Drosophila strains, we found that individual TEs inserted into euchromatic loci form novel dual-stranded piRNA clusters. Formation of the piRNA-generating loci by active individual TEs provides a more potent silencing response to the TE expansion. Like all piRNA clusters, individual TEs are also capable of triggering the production of endogenous small interfering (endo-si) RNAs. Small RNA production by individual TEs spreads into the flanking genomic regions including coding cellular genes. We show that formation of TE-associated small RNA clusters can down-regulate expression of nearby genes in ovaries. Integration of TEs into the 3′ untranslated region of actively transcribed genes induces piRNA production towards the 3′-end of transcripts, causing the appearance of genic piRNA clusters, a phenomenon that has been reported in different organisms. These data suggest a significant role of TE-associated small RNAs in the evolution of regulatory networks in the germline. PMID:24516406
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Kinetics of Aggregation with Choice
Ben-Naim, Eli; Krapivsky, Paul
2016-12-01
Here we generalize the ordinary aggregation process to allow for choice. In ordinary aggregation, two random clusters merge and form a larger aggregate. In our implementation of choice, a target cluster and two candidate clusters are randomly selected and the target cluster merges with the larger of the two candidate clusters.We study the long-time asymptotic behavior and find that as in ordinary aggregation, the size density adheres to the standard scaling form. However, aggregation with choice exhibits a number of different features. First, the density of the smallest clusters exhibits anomalous scaling. Second, both the small-size and the large-size tailsmore » of the density are overpopulated, at the expense of the density of moderate-size clusters. Finally, we also study the complementary case where the smaller candidate cluster participates in the aggregation process and find an abundance of moderate clusters at the expense of small and large clusters. Additionally, we investigate aggregation processes with choice among multiple candidate clusters and a symmetric implementation where the choice is between two pairs of clusters.« less
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Hydrogen, lithium, and lithium hydride production
Brown, Sam W.; Spencer, Larry S.; Phillips, Michael R.; Powell, G. Louis; Campbell, Peggy J.
2017-06-20
A method is provided for extracting hydrogen from lithium hydride. The method includes (a) heating lithium hydride to form liquid-phase lithium hydride; (b) extracting hydrogen from the liquid-phase lithium hydride, leaving residual liquid-phase lithium metal; (c) hydriding the residual liquid-phase lithium metal to form refined lithium hydride; and repeating steps (a) and (b) on the refined lithium hydride.
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OGLE Collection of Star Clusters. New Objects in the Outskirts of the Large Magellanic Cloud
NASA Astrophysics Data System (ADS)
Sitek, M.; Szymański, M. K.; Skowron, D. M.; Udalski, A.; Kostrzewa-Rutkowska, Z.; Skowron, J.; Karczmarek, P.; Cieślar, M.; Wyrzykowski, Ł.; Kozłowski, S.; Pietrukowicz, P.; Soszyński, I.; Mróz, P.; Pawlak, M.; Poleski, R.; Ulaczyk, K.
2016-09-01
The Magellanic System (MS), consisting of the Large Magellanic Cloud (LMC), the Small Magellanic Cloud (SMC) and the Magellanic Bridge (MBR), contains diverse sample of star clusters. Their spatial distribution, ages and chemical abundances may provide important information about the history of formation of the whole System. We use deep photometric maps derived from the images collected during the fourth phase of the Optical Gravitational Lensing Experiment (OGLE-IV) to construct the most complete catalog of star clusters in the Large Magellanic Cloud using the homogeneous photometric data. In this paper we present the collection of star clusters found in the area of about 225 square degrees in the outer regions of the LMC. Our sample contains 679 visually identified star cluster candidates, 226 of which were not listed in any of the previously published catalogs. The new clusters are mainly young small open clusters or clusters similar to associations.
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1980-11-01
Ao-A093 950 NORTHWESTERN UNIV EVANSTON IL DEPT OF M4ECHANICAL ND-ETC F/S 7/4 INVESTIGATION OF 1ETAL AND METAL OXIDE CLUSTERS S1ALL ENOUGH TO--ETC(U...34 " 18. SUPPLEMENTARY NOTES 19. KEY WORDS (Continue on reveroe side if necessary snd Identify by block number) Clusters , Nucleation, Molecular Beam, Free...contract a variety of techniques have been employed to study the properties of small atomic and molecular clusters formed in the gas phase via
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Ultra-small rhenium clusters supported on graphene.
Miramontes, Orlando; Bonafé, Franco; Santiago, Ulises; Larios-Rodriguez, Eduardo; Velázquez-Salazar, Jesús J; Mariscal, Marcelo M; Yacaman, Miguel José
2015-03-28
The adsorption of very small rhenium clusters (2-13 atoms) supported on graphene was studied by high-angle annular dark field-scanning transmission electron microscopy (HAADF-STEM). The atomic structure of the clusters was fully resolved with the aid of density functional theory calculations and STEM simulations. It was found that octahedral and tetrahedral structures work as seeds to obtain more complex morphologies. Finally, a detailed analysis of the electronic structure suggested that a higher catalytic effect can be expected in Re clusters when adsorbed on graphene than in isolated ones.
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Ultra-small rhenium clusters supported on graphene
Miramontes, Orlando; Bonafé, Franco; Santiago, Ulises; Larios-Rodriguez, Eduardo; Velázquez-Salazar, Jesús J.; Mariscal, Marcelo M.; Yacaman, Miguel José
2015-01-01
The adsorption of very small rhenium clusters (2 – 13 atoms) supported on graphene was studied with high annular dark field - scanning transmission electron microscopy (HAADF-STEM). The atomic structure of the clusters was fully resolved with the aid of density functional calculations and STEM simulations. It was found that octahedral and tetrahedral structures work as seeds to obtain more complex morphologies. Finally, a detailed analysis of the electronic structure suggested that a higher catalytic effect can be expected in Re clusters when adsorbed on graphene than in isolated ones. PMID:25721176
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Fixing the Big Bang Theory's Lithium Problem
NASA Astrophysics Data System (ADS)
Kohler, Susanna
2017-02-01
How did our universe come into being? The Big Bang theory is a widely accepted and highly successful cosmological model of the universe, but it does introduce one puzzle: the cosmological lithium problem. Have scientists now found a solution?Too Much LithiumIn the Big Bang theory, the universe expanded rapidly from a very high-density and high-temperature state dominated by radiation. This theory has been validated again and again: the discovery of the cosmic microwave background radiation and observations of the large-scale structure of the universe both beautifully support the Big Bang theory, for instance. But one pesky trouble-spot remains: the abundance of lithium.The arrows show the primary reactions involved in Big Bang nucleosynthesis, and their flux ratios, as predicted by the authors model, are given on the right. Synthesizing primordial elements is complicated! [Hou et al. 2017]According to Big Bang nucleosynthesis theory, primordial nucleosynthesis ran wild during the first half hour of the universes existence. This produced most of the universes helium and small amounts of other light nuclides, including deuterium and lithium.But while predictions match the observed primordial deuterium and helium abundances, Big Bang nucleosynthesis theory overpredicts the abundance of primordial lithium by about a factor of three. This inconsistency is known as the cosmological lithium problem and attempts to resolve it using conventional astrophysics and nuclear physics over the past few decades have not been successful.In a recent publicationled by Suqing Hou (Institute of Modern Physics, Chinese Academy of Sciences) and advisorJianjun He (Institute of Modern Physics National Astronomical Observatories, Chinese Academy of Sciences), however, a team of scientists has proposed an elegant solution to this problem.Time and temperature evolution of the abundances of primordial light elements during the beginning of the universe. The authors model (dotted lines) successfully predicts a lower abundance of the beryllium isotope which eventually decays into lithium relative to the classical Maxwell-Boltzmann distribution (solid lines), without changing the predicted abundances of deuterium or helium. [Hou et al. 2017]Questioning StatisticsHou and collaborators questioned a key assumption in Big Bang nucleosynthesis theory: that the nuclei involved in the process are all in thermodynamic equilibrium, and their velocities which determine the thermonuclear reaction rates are described by the classical Maxwell-Boltzmann distribution.But do nuclei still obey this classical distribution in the extremely complex, fast-expanding Big Bang hot plasma? Hou and collaborators propose that the lithium nuclei dont, and that they must instead be described by a slightly modified version of the classical distribution, accounted for using whats known as non-extensive statistics.The authors show that using the modified velocity distributions described by these statistics, they can successfully predict the observed primordial abundances of deuterium, helium, and lithium simultaneously. If this solution to the cosmological lithium problem is correct, the Big Bang theory is now one step closer to fully describing the formation of our universe.CitationS. Q. Hou et al 2017 ApJ 834 165. doi:10.3847/1538-4357/834/2/165
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USDA-ARS?s Scientific Manuscript database
An intronless cluster of three class I small heat shock protein (sHSP) chaperone genes, Sl17.6, Sl20.0 and Sl20.1, resident on the short arm of chromosome 6 in tomato, was previously characterized (Goyal et al., 2012). This shsp chaperone gene cluster was found decorated with cis sequences known to ...
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The WIYN Open Cluster Study: A 15-Year Report
NASA Astrophysics Data System (ADS)
Mathieu, Robert D.; WOCS Collaboration
2013-06-01
The WIYN 3.5m telescope combines large aperture, wide field of view and superb image quality. The WIYN consortium includes investigators in numerous areas of open cluster research. The combination spawned the WIYN Open Cluster Study (WOCS) over a decade ago, with the goals of producing 1) comprehensive photometric, astrometric and spectroscopic data for new fundamental open clusters and 2) addressing key astrophysical problems with these data. The set of core WOCS open clusters spans age and metallicity. Low reddening, solar proximity and richness were also desirable features in selecting core open clusters. More than 50 WIYN Open Cluster Study papers have been published in refereed journals. Highlights include: deep and wide-field photometry of NGC 188, NGC 2168 (M35), and NGC 6819 (WOCS I, II, XI and LII); deep and wide-field proper-motion studies of the old open clusters NGC 188, NGC 2682 (M67) and NGC 6791 (WOCS XVII, XXXIII and XLVI); comprehensive radial-velocity surveys of NGC 188, NGC 2168 and NGC 6819 (WOCS XXXII, XXIV, and XXXVIII); metallicity and lithium abundances in NGC 2168 (WOCS V); comprehensive definition of the hard-binary populations of NGC 188 and NGC 2168 (WOCS XXII and XLVIII); rotation period distributions in NGC 1039 (M34) and NGC 2168 (WOCS XXXV, XLIII, and XLV); study of chromospheric activity in NGC 2682 (WOCS XVIII); photometric variability surveys in NGC 188 and NGC 2682 (IX and XV); new Bayesian techniques for determination of cluster parameters (WOCS XXIII); a new infrared age-diagnostic for open clusters (WOCS XL); theoretical studies of stellar rotation (WOCS XIII and XIV); sophisticated N-body simulations of NGC 188 (WOCS LI); and the discovery of a high binary frequency and white dwarf companions among NGC 188 blue stragglers. While the WIYN 3.5m telescope remains at its heart, today the WIYN Open Cluster Study collaboration extends beyond both the WIYN observatory and consortium, and continues as a vital and productive exploration into these fundamental stellar systems. Publication list can be found at http://www.astro.ufl.edu ata/wocs/pubs.html. The WIYN Open Cluster Study has been continuously supported by grants from the National Science Foundation.
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Cluster-to-cluster transformation among Au6, Au8 and Au11 nanoclusters.
Ren, Xiuqing; Fu, Junhong; Lin, Xinzhang; Fu, Xuemei; Yan, Jinghui; Wu, Ren'an; Liu, Chao; Huang, Jiahui
2018-05-22
We present the cluster-to-cluster transformations among three gold nanoclusters, [Au6(dppp)4]2+ (Au6), [Au8(dppp)4Cl2]2+ (Au8) and [Au11(dppp)5]3+ (Au11). The conversion process follows a rule that states that the transformation of a small cluster to a large cluster is achieved through an oxidation process with an oxidizing agent (H2O2) or with heating, while the conversion of a large cluster to a small one occurs through a reduction process with a reducing agent (NaBH4). All the reactions were monitored using UV-Vis spectroscopy and ESI-MS. This work may provide an alternative approach to the synthesis of novel gold nanoclusters and a further understanding of the structural transformation relationship of gold nanoclusters.
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Quasi-planar elemental clusters in pair interactions approximation
NASA Astrophysics Data System (ADS)
Chkhartishvili, Levan
2016-01-01
The pair-interactions approximation, when applied to describe elemental clusters, only takes into account bonding between neighboring atoms. According to this approach, isomers of wrapped forms of 2D clusters - nanotubular and fullerene-like structures - and truly 3D clusters, are generally expected to be more stable than their quasi-planar counterparts. This is because quasi-planar clusters contain more peripheral atoms with dangling bonds and, correspondingly, fewer atoms with saturated bonds. However, the differences in coordination numbers between central and peripheral atoms lead to the polarization of bonds. The related corrections to the molar binding energy can make small, quasi-planar clusters more stable than their 2D wrapped allotropes and 3D isomers. The present work provides a general theoretical frame for studying the relative stability of small elemental clusters within the pair interactions approximation.
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Zhang, Wang; Pal, Sumanta K.; Liu, Xueli; Yang, Chunmei; Allahabadi, Sachin; Bhanji, Shaira; Figlin, Robert A.; Yu, Hua; Reckamp, Karen L.
2013-01-01
Background This study aimed to understand the role of myeloid cell clusters in uninvolved regional lymph nodes from early stage non-small cell lung cancer patients. Methods Uninvolved regional lymph node sections from 67 patients with stage I–III resected non-small cell lung cancer were immunostained to detect myeloid clusters, STAT3 activity and occult metastasis. Anthracosis intensity, myeloid cluster infiltration associated with anthracosis and pSTAT3 level were scored and correlated with patient survival. Multivariate Cox regression analysis was performed with prognostic variables. Human macrophages were used for in vitro nicotine treatment. Results CD68+ myeloid clusters associated with anthracosis and with an immunosuppressive and metastasis-promoting phenotype and elevated overall STAT3 activity were observed in uninvolved lymph nodes. In patients with a smoking history, myeloid cluster score significantly correlated with anthracosis intensity and pSTAT3 level (P<0.01). Nicotine activated STAT3 in macrophages in long-term culture. CD68+ myeloid clusters correlated and colocalized with occult metastasis. Myeloid cluster score was an independent prognostic factor (P = 0.049) and was associated with survival by Kaplan-Maier estimate in patients with a history of smoking (P = 0.055). The combination of myeloid cluster score with either lymph node stage or pSTAT3 level defined two populations with a significant difference in survival (P = 0.024 and P = 0.004, respectively). Conclusions Myeloid clusters facilitate a pro-metastatic microenvironment in uninvolved regional lymph nodes and associate with occult metastasis in early stage non-small cell lung cancer. Myeloid cluster score is an independent prognostic factor for survival in patients with a history of smoking, and may present a novel method to inform therapy choices in the adjuvant setting. Further validation studies are warranted. PMID:23717691
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Hydrogen, lithium, and lithium hydride production
Brown, Sam W; Spencer, Larry S; Phillips, Michael R; Powell, G. Louis; Campbell, Peggy J
2014-03-25
A method of producing high purity lithium metal is provided, where gaseous-phase lithium metal is extracted from lithium hydride and condensed to form solid high purity lithium metal. The high purity lithium metal may be hydrided to provide high purity lithium hydride.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Varghese, Jithin J.; Mushrif, Samir H., E-mail: shmushrif@ntu.edu.sg
Small metal clusters exhibit unique size and morphology dependent catalytic activity. The search for alternate minimum energy pathways and catalysts to transform methane to more useful chemicals and carbon nanomaterials led us to investigate collision induced dissociation of methane on small Cu clusters. We report here for the first time, the free energy barriers for the collision induced activation, dissociation, and coupling of methane on small Cu clusters (Cu{sub n} where n = 2–12) using ab initio molecular dynamics and metadynamics simulations. The collision induced activation of the stretching and bending vibrations of methane significantly reduces the free energy barriermore » for its dissociation. Increase in the cluster size reduces the barrier for dissociation of methane due to the corresponding increase in delocalisation of electron density within the cluster, as demonstrated using the electron localisation function topology analysis. This enables higher probability of favourable alignment of the C–H stretching vibration of methane towards regions of high electron density within the cluster and makes higher number of sites available for the chemisorption of CH{sub 3} and H upon dissociation. These characteristics contribute in lowering the barrier for dissociation of methane. Distortion and reorganisation of cluster geometry due to high temperature collision dynamics disturb electron delocalisation within them and increase the barrier for dissociation. Coupling reactions of CH{sub x} (x = 1–3) species and recombination of H with CH{sub x} have free energy barriers significantly lower than complete dehydrogenation of methane to carbon. Thus, competition favours the former reactions at high hydrogen saturation on the clusters.« less
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Predicting vacancy-mediated diffusion of interstitial solutes in α -Fe
NASA Astrophysics Data System (ADS)
Barouh, Caroline; Schuler, Thomas; Fu, Chu-Chun; Jourdan, Thomas
2015-09-01
Based on a systematic first-principles study, the lowest-energy migration mechanisms and barriers for small vacancy-solute clusters (VnXm ) are determined in α -Fe for carbon, nitrogen, and oxygen, which are the most frequent interstitial solutes in several transition metals. We show that the dominant clusters present at thermal equilibrium (V X and V X2 ) have very reduced mobility compared to isolated solutes, while clusters composed of a solute bound to a small vacancy cluster may be significantly more mobile. In particular, V3X is found to be the fastest cluster for all three solutes. This result relies on the large diffusivity of the most compact trivacancy in a bcc lattice. Therefore, it may also be expected for interstitial solutes in other bcc metals. In the case of iron, we find that V3X may be as fast as or even more mobile than an interstitial solute. At variance with common assumptions, the trapping of interstitial solutes by vacancies does not necessarily decrease the mobility of the solute. Additionally, cluster dynamics simulations are performed considering a simple iron system with supersaturation of vacancies, in order to investigate the impacts of small mobile vacancy-solute clusters on properties such as the transport of solute and the cluster size distributions.
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NASA Astrophysics Data System (ADS)
Peter, Tilo; Polonskyi, Oleksandr; Gojdka, Björn; Mohammad Ahadi, Amir; Strunskus, Thomas; Zaporojtchenko, Vladimir; Biederman, Hynek; Faupel, Franz
2012-12-01
We quantitatively assessed the influence of reactive gases on the formation processes of transition metal clusters in a gas aggregation cluster source. A cluster source based on a 2 in. magnetron is used to study the production rate of titanium and cobalt clusters. Argon served as working gas for the DC magnetron discharge, and a small amount of reactive gas (oxygen and nitrogen) is added to promote reactive cluster formation. We found that the cluster production rate depends strongly on the reactive gas concentration for very small amounts of reactive gas (less than 0.1% of total working gas), and no cluster formation takes place in the absence of reactive species. The influence of discharge power, reactive gas concentration, and working gas pressure are investigated using a quartz micro balance in a time resolved manner. The strong influence of reactive gas is explained by a more efficient formation of nucleation seeds for metal-oxide or nitride than for pure metal.
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Mass Distribution in Galaxy Cluster Cores
DOE Office of Scientific and Technical Information (OSTI.GOV)
Hogan, M. T.; McNamara, B. R.; Pulido, F.
Many processes within galaxy clusters, such as those believed to govern the onset of thermally unstable cooling and active galactic nucleus feedback, are dependent upon local dynamical timescales. However, accurate mapping of the mass distribution within individual clusters is challenging, particularly toward cluster centers where the total mass budget has substantial radially dependent contributions from the stellar ( M {sub *}), gas ( M {sub gas}), and dark matter ( M {sub DM}) components. In this paper we use a small sample of galaxy clusters with deep Chandra observations and good ancillary tracers of their gravitating mass at both largemore » and small radii to develop a method for determining mass profiles that span a wide radial range and extend down into the central galaxy. We also consider potential observational pitfalls in understanding cooling in hot cluster atmospheres, and find tentative evidence for a relationship between the radial extent of cooling X-ray gas and nebular H α emission in cool-core clusters. At large radii the entropy profiles of our clusters agree with the baseline power law of K ∝ r {sup 1.1} expected from gravity alone. At smaller radii our entropy profiles become shallower but continue with a power law of the form K ∝ r {sup 0.67} down to our resolution limit. Among this small sample of cool-core clusters we therefore find no support for the existence of a central flat “entropy floor.”.« less
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Li, Peng; Redden, David T.
2014-01-01
SUMMARY The sandwich estimator in generalized estimating equations (GEE) approach underestimates the true variance in small samples and consequently results in inflated type I error rates in hypothesis testing. This fact limits the application of the GEE in cluster-randomized trials (CRTs) with few clusters. Under various CRT scenarios with correlated binary outcomes, we evaluate the small sample properties of the GEE Wald tests using bias-corrected sandwich estimators. Our results suggest that the GEE Wald z test should be avoided in the analyses of CRTs with few clusters even when bias-corrected sandwich estimators are used. With t-distribution approximation, the Kauermann and Carroll (KC)-correction can keep the test size to nominal levels even when the number of clusters is as low as 10, and is robust to the moderate variation of the cluster sizes. However, in cases with large variations in cluster sizes, the Fay and Graubard (FG)-correction should be used instead. Furthermore, we derive a formula to calculate the power and minimum total number of clusters one needs using the t test and KC-correction for the CRTs with binary outcomes. The power levels as predicted by the proposed formula agree well with the empirical powers from the simulations. The proposed methods are illustrated using real CRT data. We conclude that with appropriate control of type I error rates under small sample sizes, we recommend the use of GEE approach in CRTs with binary outcomes due to fewer assumptions and robustness to the misspecification of the covariance structure. PMID:25345738
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Focus-based filtering + clustering technique for power-law networks with small world phenomenon
NASA Astrophysics Data System (ADS)
Boutin, François; Thièvre, Jérôme; Hascoët, Mountaz
2006-01-01
Realistic interaction networks usually present two main properties: a power-law degree distribution and a small world behavior. Few nodes are linked to many nodes and adjacent nodes are likely to share common neighbors. Moreover, graph structure usually presents a dense core that is difficult to explore with classical filtering and clustering techniques. In this paper, we propose a new filtering technique accounting for a user-focus. This technique extracts a tree-like graph with also power-law degree distribution and small world behavior. Resulting structure is easily drawn with classical force-directed drawing algorithms. It is also quickly clustered and displayed into a multi-level silhouette tree (MuSi-Tree) from any user-focus. We built a new graph filtering + clustering + drawing API and report a case study.
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Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS.
Zhang, Yanyan; Su, Mao; Yu, Xiaofei; Zhou, Yufan; Wang, Jungang; Cao, Ruiguo; Xu, Wu; Wang, Chongmin; Baer, Donald R; Borodin, Oleg; Xu, Kang; Wang, Yanting; Wang, Xue-Lin; Xu, Zhijie; Wang, Fuyi; Zhu, Zihua
2018-03-06
Ion-solvent interactions in nonaqueous electrolytes are of fundamental interest and practical importance, yet debates regarding ion preferential solvation and coordination numbers persist. In this work, in situ liquid SIMS was used to examine ion-solvent interactions in three representative electrolytes, i.e., lithium hexafluorophosphate (LiPF 6 ) at 1.0 M in ethylene carbonate (EC)-dimethyl carbonate (DMC) and lithium bis(fluorosulfonyl)imide (LiFSI) at both low (1.0 M) and high (4.0 M) concentrations in 1,2-dimethoxyethane (DME). In the positive ion mode, solid molecular evidence strongly supports the preferential solvation of Li + by EC. Besides, from the negative spectra, we also found that PF 6 - forms association with EC, which has been neglected by previous studies due to the relatively weak interaction. In both LiFSI in DME electrolytes, however, no evidence shows that FSI - is associated with DME. Furthermore, strong salt ion cluster signals were observed in the 1.0 M LiPF 6 in EC-DMC electrolyte, suggesting that a significant amount of Li + ions stay in the vicinity of anions. In sharp comparison, weak ion cluster signals were detected in dilute LiFSI in DME electrolyte, suggesting most ions are well separated, in agreement with our molecular dynamics simulation results. These findings indicate that with virtues of little bias on detecting positive and negative ions and the capability of directly analyzing concentrated electrolytes, in situ liquid SIMS is a powerful tool that can provide key evidence for improved understanding on the ion-solvent interactions in nonaqueous electrolytes. Therefore, we anticipate wide applications of in situ liquid SIMS on investigations of various ion-solvent interactions in the near future.
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Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, Yanyan; Su, Mao; Yu, Xiaofei
2018-02-06
Ion-solvent interactions in non-aqueous electrolytes are of fundamental interest and practical importance, yet debates regarding ion preferential solvation and coordination numbers persist. In this work, in situ liquid SIMS was used to examine ion-solvent interactions in three representative electrolytes, i.e., lithium hexafluorophosphate (LiPF6) at 1.0 M in ethylene carbonate (EC)-dimethyl carbonate (DMC), and lithium bis(fluorosulfonyl)imide (LiFSI) at both low (1.0 M) and high (4.0 M) concentrations in 1,2-dimethoxyethane (DME). In the positive ion mode, solid molecular evidence strongly supports the preferential solvation of Li+ by EC. Besides, from the negative spectra, we also found that PF6- forms association with EC,more » which has been neglected by previous studies due to the relatively weak interaction. While in both LiFSI in DME electrolytes, no evidence shows that FSI- is associated with DME. Furthermore, strong salt ion cluster signals were observed in the 1.0 M LiPF6 in EC-DMC electrolyte, suggesting that a significant amount of Li+ ions stay in vicinity of anions. In sharp comparison, weak ion cluster signals were detected in dilute LiFSI in DME electrolyte, suggesting most ions are well separated, in agreement with our molecular dynamics (MD) simulation results. These findings indicate that with virtues of little bias on detecting positive and negative ions and the capability of directly analyzing concentrated electrolytes, in situ liquid SIMS is a powerful tool that can provide key evidence for improved understanding on the ion-solvent interactions in non-aqueous electrolytes. Therefore, we anticipate wide applications of in situ liquid SIMS on investigations of various ion-solvent interactions in the near future.« less
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NASA Technical Reports Server (NTRS)
Carlberg, Joleen K.; Cunha, Katia; Smith, Verne V.
2016-01-01
The temperature distribution of field Li-rich red giants suggests the presence of a population of Li-rich red clump (RC) stars. One proposed explanation for this population is that all stars with masses near 2 solar mass experience a shortlived phase of Li-richness at the onset of core He-burning. Many of these stars have low C-12/C-13, a signature of deep mixing that is presumably associated with the Li regeneration. To test this purported mechanism of Li enrichment, we measured abundances in 38 RC stars and 6 red giant branch (RGB) stars in four open clusters selected to have RC masses near 2 solar mass. We find six Li-rich stars (A(Li) greater than or equal to 1.50 dex) of which only two may be RC stars. None of the RC stars have Li exceeding the levels observed in the RGB stars, but given the brevity of the suggested Li-rich phase and the modest sample size, it is probable that stars with larger Li-enrichments were missed simply by chance. However, we find very few stars in our sample with low C-12/C-13. Such low C-12/C-13, seen in many field Li-rich stars, should persist even after lithium has returned to normal low levels. Thus, if Li synthesis during the He flash occurs, it is a rare, but potentially long-lived occurrence rather than a short-lived phase for all stars. We estimate a conservative upper limit of the fraction of stars going through a Li-rich phase to be less than 47%, based on stars that have low C-12/C-13 for their observed A(Li).
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Chen, Yuejiao; Qu, Baihua; Hu, Lingling; Xu, Zhi; Li, Qiuhong; Wang, Taihong
2013-10-21
A facile hydrothermal method is developed for large-scale production of three-dimensional (3D) hierarchical porous nickel cobaltate nanowire cluster arrays derived from nanosheet arrays with robust adhesion on Ni foam. Based on the morphology evolution upon reaction time, a possible formation process is proposed. The role of NH4F in formation of the structure has also been investigated based on different NH4F amounts. This unique structure significantly enhances the electroactive surface areas of the NiCo2O4 arrays, leading to better interfacial/chemical distributions at the nanoscale, fast ion and electron transfer and good strain accommodation. Thus, when it is used for supercapacitor testing, a specific capacitance of 1069 F g(-1) at a very high current density of 100 A g(-1) was obtained. Even after more than 10,000 cycles at various large current densities, a capacitance of 2000 F g(-1) at 10 A g(-1) with 93.8% retention can be achieved. It also exhibits a high-power density (26.1 kW kg(-1)) at a discharge current density of 80 A g(-1). When used as an anode material for lithium-ion batteries (LIBs), it presents a high reversible capacity of 976 mA h g(-1) at a rate of 200 mA g(-1) with good cycling stability and rate capability. This array material is rarely used as an anode material. Our results show that this unique 3D hierarchical porous nickel cobaltite is promising for electrochemical energy applications.
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Investigation of Ion–Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, Yanyan; Su, Mao; Yu, Xiaofei
Ion-solvent interactions in non-aqueous electrolytes are of fundamental interest and practical importance, yet debates regarding ion preferential solvation and coordination numbers persist. In this work, in situ liquid SIMS was used to examine ion-solvent interactions in three representative electrolytes, i.e., lithium hexafluorophosphate (LiPF6) at 1.0 M in ethylene carbonate (EC)-dimethyl carbonate (DMC), and lithium bis(fluorosulfonyl)imide (LiFSI) at both low (1.0 M) and high (4.0 M) concentrations in 1,2-dimethoxyethane (DME). In the positive ion mode, solid molecular evidence strongly supports the preferential solvation of Li+ by EC. Besides, from the negative spectra, we also found that PF6- forms association with EC,more » which has been neglected by previous studies due to the relatively weak interaction. While in both LiFSI in DME electrolytes, no evidence shows that FSI- is associated with DME. Furthermore, strong salt ion cluster signals were observed in the 1.0 M LiPF6 in EC-DMC electrolyte, suggesting that a significant amount of Li+ ions stay in vicinity of anions. In sharp comparison, weak ion cluster signals were detected in dilute LiFSI in DME electrolyte, suggesting most ions are well separated, in agreement with our molecular dynamics (MD) simulation results. These findings indicate that with virtues of little bias on detecting positive and negative ions and the capability of directly analyzing concentrated electrolytes, in situ liquid SIMS is a powerful tool that can provide key evidence for improved understanding on the ion-solvent interactions in non-aqueous electrolytes. Therefore, we anticipate wide applications of in situ liquid SIMS on investigations of various ion-solvent interactions in the near future.« less
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On-Orbit Demonstration of a Lithium-Ion Capacitor and Thin-Film Multijunction Solar Cells
NASA Astrophysics Data System (ADS)
Kukita, Akio; Takahashi, Masato; Shimazaki, Kazunori; Kobayashi, Yuki; Sakai, Tomohiko; Toyota, Hiroyuki; Takahashi, Yu; Murashima, Mio; Uno, Masatoshi; Imaizumi, Mitsuru
2014-08-01
This paper describes an on-orbit demonstration of the Next-generation Small Satellite Instrument for Electric power systems (NESSIE) on which an aluminum- laminated lithium-ion capacitor (LIC) and a lightweight solar panel called KKM-PNL, which has space solar sheets using thin-film multijunction solar cells, were installed. The flight data examined in this paper covers a period of 143 days from launch. We verified the integrity of an LIC constructed using a simple and lightweight mounting method: no significant capacitance reduction was observed. We also confirmed that inverted metamorphic multijunction triple-junction thin-film solar cells used for evaluation were healthy at 143 days after launch, because their degradation almost matched the degradation predictions for dual-junction thin-film solar cells.
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NASA Astrophysics Data System (ADS)
Raccichini, Rinaldo; Varzi, Alberto; Chakravadhanula, Venkata Sai Kiran; Kübel, Christian; Balducci, Andrea; Passerini, Stefano
2015-05-01
The electrochemical properties of graphene are strongly depending on its synthesis. Between the different methods proposed so far, liquid phase exfoliation turns out to be a promising method for the production of graphene. Unfortunately, the low yield of this technique, in term of solid material obtained, still limit its use to small scale applications. In this article we propose a low cost and environmentally friendly method for producing multilayer crystalline graphene with high yield. Such innovative approach, involving an improved ionic liquid assisted, microwave exfoliation of expanded graphite, allows the production of graphene with advanced lithium ion storage performance, for the first time, at low temperatures (<0 °C), as low as -30 °C, with respect to commercially available graphite.
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NASA Astrophysics Data System (ADS)
Zhang, Yan; Duan, Xiaoyong; Wang, Jie; Wang, Congwei; Wang, Junying; Wang, Jianlong; Wang, Junzhong
2018-02-01
Lithium-sulfur battery receives intense attention owing to its high theoretical energy density. However, poor electrical conductivity of sulfur and poor cycle stability of the battery hinder its application. Here, we report that graphene microsheets prepared from microcrystalline graphite minerals by an electrochemical & mechanical approach work as a special conductive support to load sulfur as the cathode of lithium-sulfur battery. The graphene microsheets have the features of excellent conductivity and low defect, small sheet sizes of <1 μm2 and ≤6 atomic layers as well as natural silicate residue covered. Li-S batteries of graphene microsheets/S as cathode exhibit long-term cyclability and high coulombic efficiency. At 1 C for 2000 cycles, average coulombic efficiency of 99.7% is reached.
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In-vivo measurement of lithium in the brain and other organs
Vartsky, David; Wielopolski, Lucian; LoMonte, Anthony F.; Ellis, Kenneth J.; Cohn, Stanton H.
1985-01-01
The lithium used clinically and distributed in organs such as the brain or idney of humans and other exhaling animals is determined in-vivo by means of neutron radiation and measuring in the exhaled air elemental tritiated hydrogen released from the tritium reaction by the reaction .sup.6 Li(n,.alpha.)T. The tritium atoms so released are transformed in part in the surrounding aqueous solution to form gaseous tritiated hydrogen which has a small solubility in body tissues and liquids and thus appears quickly in the breath. After a recipient fasts and is irradiated with neutrons, the air exhaled in the breath for a given time after irradiation is captured and processed to remove water, isolate hydrogen and measure the tritiated hydrogen with a gaseous organ-methane counter.
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Zhao, Hui; Du, Allen; Ling, Min; ...
2016-05-10
The state-of-the-art graphite anode containing a small portion of silicon represents a promising way of applying high-capacity alloy anode in the next generation high energy density lithium-ion batteries. The conductive polymeric binders developed for Si anodes proved to be an effective binder for this graphite/nanoSi composite electrode. Without any acetylene black conductive additives in the electrode, a high areal capacity of above 2.5 mAh/cm 2 is achieved during long-term cycling over 100 cycles. Finally, this conductive polymer-enabled graphite/nanoSi composite electrode exhibits high specific capacity and high 1 st cycle efficiency, which is a significant progress toward commercial application of Simore » anodes.« less
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LiCoO2 and SnO2 Thin Film Electrodes for Lithium-Ion Battery Applications
NASA Technical Reports Server (NTRS)
Maranchi, Jeffrey P.; Hepp, Aloysius F.; Kumta, Prashant N.
2004-01-01
There is an increasing need for small dimension, ultra-lightweight, portable power supplies due to the miniaturization of consumer electronic devices. Rechargeable thin film lithium-ion batteries have the potential to fulfill the growing demands for micro-energy storage devices. However, rechargeable battery technology and fabrication processes have not kept paced with the advances made in device technology. Economical fabrication methods lending excellent microstructural and compositional control in the thin film battery electrodes have yet to be fully developed. In this study, spin coating has been used to demonstrate the flexibility of the approach to produce both anode (SnO2) and cathode (LiCoO2) thin films. Results on the microstructure crystal structure and electrochemical properties of the thin film electrodes are described and discussed.
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Tang, Yakun; Liu, Lang; Zhao, Hongyang; Zhang, Yue; Kong, Ling Bing; Gao, Shasha; Li, Xiaohui; Wang, Lei; Jia, Dianzeng
2018-06-20
Hybrid nanotubes of cation disordered rock salt structured Li 2 FeTiO 4 nanoparticles embedded in porous CNTs were developed. Such unique hybrids with continuous 3D electron transportation paths and isolated small particles have been shown to be an ideal architecture that brought out enhanced electrochemical performances. Meanwhile, they exhibited improved extrinsic capacitive characteristics. In addition, we demonstrate a successful example to use cathode active material as anode for lithium-ion batteries (LIBs). More importantly, our hybrids had much superior electrochemical performances than most of the reported Li 4 Ti 5 O 12 -based nanocomposites. Therefore, it is concluded that Li 2 FeTiO 4 can be a prospective anode material for LIBs.
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Electromobility concept for racing cars based on lithium-ion batteries and supercapacitors
NASA Astrophysics Data System (ADS)
Frenzel, B.; Kurzweil, P.; Rönnebeck, H.
For the construction of an all-electric race car, all aspects from engineering design over cost estimation up to the road capability are illuminated. From the most promising batteries for electric vehicle propulsion, the state-of-the art and commercial availability of lithium-ion secondary batteries is critically discussed with respect to cycle-life and unfavorable charge-discharge conditions. A market-overview is given with respect to a small electric car. Different combinations of electric motors and a recuperation system have been investigated. Weight aspects of central drive systems were considered and compared with decentralized wheel-hub drives. As a result, a centralized high-speed drive train based on a permanent-magnet synchronous engine with high-energy magnets seems to be superior due to limited space for assembly.
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Stability and minimum size of colloidal clusters on a liquid-air interface.
Pergamenshchik, V M
2012-02-01
A vertical force applied to each of two colloids, trapped at a liquid-air interface, induces their logarithmic pairwise attraction. I recently showed [Phys. Rev. E 79, 011407 (2009)] that in clusters of size R much larger than the capillary length λ, the attraction changes to that of a power law and is much stronger due to a many-body effect, and I derived two equations that describe the equilibrium coarse-grained meniscus profile and colloid density in such clusters. In this paper, this theory is shown also to describe small clusters with R≪ λ provided the number N of colloids therein is sufficiently large. An analytical solution for a small circular cluster with an arbitrary short-range power-law pairwise repulsion is found. The energy of a cluster is obtained as a function of its radius R and colloid number N. As in large clusters, the attraction force and energy universally scale with the distance L between colloids as L(-3) and L(-2), respectively, for any repulsion forces. The states of an equilibrium cluster, predicted by the theory, are shown to be stable with respect to small perturbations of the meniscus profile and colloid density. The minimum number of colloids in a circular cluster, which sustains the thermal motion, is estimated. For standard parameters, it can be very modest, e.g., in the range 20-200, which is in line with experimental findings on reversible clusterization on a liquid-air interface. © 2012 American Physical Society
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Small traveling clusters in attractive and repulsive Hamiltonian mean-field models.
Barré, Julien; Yamaguchi, Yoshiyuki Y
2009-03-01
Long-lasting small traveling clusters are studied in the Hamiltonian mean-field model by comparing between attractive and repulsive interactions. Nonlinear Landau damping theory predicts that a Gaussian momentum distribution on a spatially homogeneous background permits the existence of traveling clusters in the repulsive case, as in plasma systems, but not in the attractive case. Nevertheless, extending the analysis to a two-parameter family of momentum distributions of Fermi-Dirac type, we theoretically predict the existence of traveling clusters in the attractive case; these findings are confirmed by direct N -body numerical simulations. The parameter region with the traveling clusters is much reduced in the attractive case with respect to the repulsive case.
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Clustering of water molecules in ultramicroporous carbon: In-situ small-angle neutron scattering
Bahadur, Jitendra; Contescu, Cristian I.; Rai, Durgesh K.; ...
2016-10-19
The adsorption of water is central to most of the applications of microporous carbon as adsorbent material. We report early kinetics of water adsorption in the microporous carbon using in-situ small-angle neutron scattering. It is observed that adsorption of water occurs via cluster formation of molecules. Interestingly, the cluster size remains constant throughout the adsorption process whereas number density of clusters increases with time. The role of surface chemistry of microporous carbon on the early kinetics of adsorption process was also investigated. Lastly, the present study provides direct experimental evidence for cluster assisted adsorption of water molecules in microporous carbonmore » (Do-Do model).« less
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77 FR 21714 - Hazardous Materials: Transportation of Lithium Batteries
Federal Register 2010, 2011, 2012, 2013, 2014
2012-04-11
... and configurations of lithium batteries: 1. Lithium ion batteries (PI 965). 2. Lithium ion batteries packed with equipment (PI 966). 3. Lithium ion batteries contained in equipment (PI 967). 4. Lithium... requirements including package weight limits (10 kg for lithium ion cells and batteries and 2.5 kg for lithium...
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Logan, B.G.
A recently completed two-year study of a commercial tandem mirror reactor design (Mirror Advanced Reactor Study (MARS)) is briefly reviewed. The end plugs are designed for trapped particle stability, MHD ballooning, balanced geodesic curvature, and small radial electric fields in the central cell. New technologies such as lithium-lead blankets, 24T hybrid coils, gridless direct converters and plasma halo vacuum pumps are highlighted.
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On Infrared Excesses Associated with Li-Rich K Giants
NASA Technical Reports Server (NTRS)
Rebull, Luisa M.; Carlberg, Joleen K.; Gibbs, John C.; Deeb, J. Elin; Larsen, Estefania; Black, David V.; Altepeter, Shailyn; Bucksbee, Ethan; Cashen, Sarah; Clarke, Matthew;
2015-01-01
Infrared (IR) excesses around K-type red giants (RGs) have previously been discovered using Infrared Astronomy Satellite (IRAS) data, and past studies have suggested a link between RGs with overabundant lithium and IR excesses, implying the ejection of circumstellar shells or disks. We revisit the question of IR excesses around RGs using higher spatial resolution IR data, primarily from the Wide-field Infrared Survey Explorer. Our goal was to elucidate the link between three unusual RG properties: fast rotation, enriched lithium, and IR excess. Our sample of RGs includes those with previous IR detections, a sample with well-defined rotation and lithium abundance measurements with no previous IR measurements, and a large sample of RGs asserted to be lithium-rich in the literature; we have 316 targets thought to be K giants, about 40% of which we take to be Li-rich. In 24 cases with previous detections of IR excess at low spatial resolution, we believe that source confusion is playing a role, in that either (a) the source that is bright in the optical is not responsible for the IR flux, or (b) there is more than one source responsible for the IR flux as measured in IRAS. We looked for IR excesses in the remaining sources, identifying 28 that have significant IR excesses by approximately 20 micrometers (with possible excesses for 2 additional sources). There appears to be an intriguing correlation in that the largest IR excesses are all in Li-rich K giants, though very few lithium-rich K giants have IR excesses (large or small). These largest IR excesses also tend to be found in the fastest rotators. There is no correlation of IR excess with the carbon isotopic ratio, 12C/13C. IR excesses by 20 micrometers, though relatively rare, are at least twice as common among our sample of lithium-rich K giants. If dust shell production is a common by-product of Li enrichment mechanisms, these observations suggest that the IR excess stage is very short-lived, which is supported by theoretical calculations. Conversely, the lithium-enrichment mechanism may only occasionally produce dust, and an additional parameter (e.g., rotation) may control whether or not a shell is ejected.
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Boronat, Mercedes; Leyva-Pérez, Antonio; Corma, Avelino
2014-03-18
Particle size is one of the key parameters determining the unexpected catalytic activity of gold, with reactivity improving as the particle gets smaller. While this is valid in the 1-5 nm range, chemists are now investigating the influence of particle size in the subnanometer regime. This is due to recent advances in both characterization techniques and synthetic routes capable of stabilizing these size-controlled gold clusters. Researchers reported in early studies that small clusters or aggregates of a few atoms can be extremely active in some reactions, while 1-2 nm nanoparticles are catalytically more efficient for other reactions. Furthermore, the possibility that small gold clusters generated in situ from gold salts or complexes could be the real active species in homogeneous gold-catalyzed organic reactions should be considered. In this Account, we address two questions. First, what is the origin of the enhanced reactivity of gold clusters on the subnanometer scale? And second, how can we predict the reactions where small clusters should work better than larger nanoparticles? Both geometric factors and electronic or quantum size effects become important in the subnanometer regime. Geometric reasons play a key role in hydrogenation reactions, where only accessible low coordinated neutral Au atoms are needed to dissociate H2. The quantum size effects of gold clusters are important as well, as clusters formed by only a few atoms have discrete molecule-like electronic states and their chemical reactivity is related to interactions between the cluster's frontier molecular orbitals and those of the reactant molecules. From first principles calculations, we predict an enhanced reactivity of small planar clusters for reactions involving activation of CC multiple bonds in alkenes and alkynes through Lewis acid-base interactions, and a better catalytic performance of 3D gold nanoparticles in redox reactions involving bond dissociation by oxidative addition and new bond formation by reductive elimination. In oxidation reactions with molecular O2, initial dissociation of O2 into basic oxygen atoms would be more effectively catalyzed by gold nanoparticles of ∼1 nm diameter. In contrast, small planar clusters should be more active for reactions following a radical pathway involving peroxo or hydroperoxo intermediates. We have experimentally confirmed these predictions for a series of Lewis acid and oxidation reactions catalyzed by gold clusters and nanoparticles either in solution or supported on solid carriers.
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Patel, Lara A; Kindt, James T
2017-03-14
We introduce a global fitting analysis method to obtain free energies of association of noncovalent molecular clusters using equilibrated cluster size distributions from unbiased constant-temperature molecular dynamics (MD) simulations. Because the systems simulated are small enough that the law of mass action does not describe the aggregation statistics, the method relies on iteratively determining a set of cluster free energies that, using appropriately weighted sums over all possible partitions of N monomers into clusters, produces the best-fit size distribution. The quality of these fits can be used as an objective measure of self-consistency to optimize the cutoff distance that determines how clusters are defined. To showcase the method, we have simulated a united-atom model of methyl tert-butyl ether (MTBE) in the vapor phase and in explicit water solution over a range of system sizes (up to 95 MTBE in the vapor phase and 60 MTBE in the aqueous phase) and concentrations at 273 K. The resulting size-dependent cluster free energy functions follow a form derived from classical nucleation theory (CNT) quite well over the full range of cluster sizes, although deviations are more pronounced for small cluster sizes. The CNT fit to cluster free energies yielded surface tensions that were in both cases lower than those for the simulated planar interfaces. We use a simple model to derive a condition for minimizing non-ideal effects on cluster size distributions and show that the cutoff distance that yields the best global fit is consistent with this condition.
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Protective lithium ion conducting ceramic coating for lithium metal anodes and associate method
Bates, John B.
1994-01-01
A battery structure including a cathode, a lithium metal anode and an electrolyte disposed between the lithium anode and the cathode utilizes a thin-film layer of lithium phosphorus oxynitride overlying so as to coat the lithium anode and thereby separate the lithium anode from the electrolyte. If desired, a preliminary layer of lithium nitride may be coated upon the lithium anode before the lithium phosphorous oxynitride is, in turn, coated upon the lithium anode so that the separation of the anode and the electrolyte is further enhanced. By coating the lithium anode with this material lay-up, the life of the battery is lengthened and the performance of the battery is enhanced.
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Pinske, Constanze; Sawers, R. Gary
2012-01-01
During anaerobic growth Escherichia coli synthesizes two membrane-associated hydrogen-oxidizing [NiFe]-hydrogenases, termed hydrogenase 1 and hydrogenase 2. Each enzyme comprises a catalytic subunit containing the [NiFe] cofactor, an electron-transferring small subunit with a particular complement of [Fe-S] (iron-sulfur) clusters and a membrane-anchor subunit. How the [Fe-S] clusters are delivered to the small subunit of these enzymes is unclear. A-type carrier (ATC) proteins of the Isc (iron-sulfur-cluster) and Suf (sulfur mobilization) [Fe-S] cluster biogenesis pathways are proposed to traffic pre-formed [Fe-S] clusters to apoprotein targets. Mutants that could not synthesize SufA had active hydrogenase 1 and hydrogenase 2 enzymes, thus demonstrating that the Suf machinery is not required for hydrogenase maturation. In contrast, mutants devoid of the IscA, ErpA or IscU proteins of the Isc machinery had no detectable hydrogenase 1 or 2 activities. Lack of activity of both enzymes correlated with the absence of the respective [Fe-S]-cluster-containing small subunit, which was apparently rapidly degraded. During biosynthesis the hydrogenase large subunits receive their [NiFe] cofactor from the Hyp maturation machinery. Subsequent to cofactor insertion a specific C-terminal processing step occurs before association of the large subunit with the small subunit. This processing step is independent of small subunit maturation. Using western blotting experiments it could be shown that although the amount of each hydrogenase large subunit was strongly reduced in the iscA and erpA mutants, some maturation of the large subunit still occurred. Moreover, in contrast to the situation in Isc-proficient strains, these processed large subunits were not membrane-associated. Taken together, our findings demonstrate that both IscA and ErpA are required for [Fe-S] cluster delivery to the small subunits of the hydrogen-oxidizing hydrogenases; however, delivery of the Fe atom to the active site might have different requirements. PMID:22363723
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Brain Structural Effects of Psychopharmacological Treatment in Bipolar Disorder
McDonald, Colm
2015-01-01
Bipolar disorder is associated with subtle neuroanatomical deficits including lateral ventricular enlargement, grey matter deficits incorporating limbic system structures, and distributed white matter pathophysiology. Substantial heterogeneity has been identified by structural neuroimaging studies to date and differential psychotropic medication use is potentially a substantial contributor to this. This selective review of structural neuroimaging and diffusion tensor imaging studies considers evidence that lithium, mood stabilisers, antipsychotic medication and antidepressant medications are associated with neuroanatomical variation. Most studies are negative and suffer from methodological weaknesses in terms of directly assessing medication effects on neuroanatomy, since they commonly comprise posthoc assessments of medication associations with neuroimaging metrics in small heterogenous patient groups. However the studies which report positive findings tend to form a relatively consistent picture whereby lithium and antiepileptic mood stabiliser use is associated with increased regional grey matter volume, especially in limbic structures. These findings are further supported by the more methodologically robust studies which include large numbers of patients or repeated intra-individual scanning in longitudinal designs. Some similar findings of an apparently ameliorative effect of lithium on white matter microstructure are also emerging. There is less support for an effect of antipsychotic or antidepressant medication on brain structure in bipolar disorder, but these studies are further limited by methodological difficulties. In general the literature to date supports a normalising effect of lithium and mood stabilisers on brain structure in bipolar disorder, which is consistent with the neuroprotective characteristics of these medications identified by preclinical studies. PMID:26412064
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Zeng, Liang; Ichikawa, Takayuki; Kawahito, Koji; Miyaoka, Hiroki; Kojima, Yoshitsugu
2017-01-25
Magnesium hydride, MgH 2 , a recently developed compound for lithium-ion batteries, is considered to be a promising conversion-type negative electrode material due to its high theoretical lithium storage capacity of over 2000 mA h g -1 , suitable working potential, and relatively small volume expansion. Nevertheless, it suffers from unsatisfactory cyclability, poor reversibility, and slow kinetics in conventional nonaqueous electrolyte systems, which greatly limit the practical application of MgH 2 . In this work, a vapor-grown carbon nanofiber was used to enhance the electrical conductivity of MgH 2 using LiBH 4 as the solid-state electrolyte. It shows that a reversible capacity of over 1200 mA h g -1 with an average voltage of 0.5 V (vs Li/Li + ) can be obtained after 50 cycles at a current density of 1000 mA g -1 . In addition, the capacity of MgH 2 retains over 1100 mA h g -1 at a high current density of 8000 mA g -1 , which indicates the possibility of using MgH 2 as a negative electrode material for high power and high capacity lithium-ion batteries in future practical applications. Moreover, the widely studied sulfide-based solid electrolyte was also used to assemble battery cells with MgH 2 electrode in the same system, and the electrochemical performance was as good as that using LiBH 4 electrolyte.
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NASA Astrophysics Data System (ADS)
Shi, Yongzheng; Yang, Dongzhi; Yu, Ruomeng; Liu, Yaxin; Hao, Shu-Meng; Zhang, Shiyi; Qu, Jin; Yu, Zhong-Zhen
2018-04-01
To satisfy increasing power demands of mobile devices and electric vehicles, rationally designed electrodes with short diffusion length are highly imperative to provide highly efficient ion and electron transport paths for high-rate and long-life lithium-ion batteries. Herein, binder-free electrodes with the robust three-dimensional conductive network are prepared by assembling ultralong TiO2 nanowires with reduced graphene oxide (RGO) sheets for high-performance lithium-ion storage. Ultralong TiO2 nanowires are synthesized and used to construct an interconnecting network that avoids the use of inert auxiliary additives of polymer binders and conductive agents. By thermal annealing, a small amount of anatase is generated in situ in the TiO2(B) nanowires to form abundant TiO2(B)/anatase interfaces for accommodating additional lithium ions. Simultaneously, RGO sheets efficiently enhance the electronic conductivity and enlarge the specific surface area of the TiO2/RGO nanocomposite. The robust 3D network in the binder-free electrode not only effectively avoids the agglomeration of TiO2/RGO components during the long-term charging/discharging process, but also provides direct and fast ion/electron transport paths. The binder-free electrode exhibits a high reversible capacity of 259.9 mA h g-1 at 0.1 C and an excellent cycling performance with a high reversible capacity of 111.9 mA h g-1 at 25 C after 5000 cycles.
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Brain Structural Effects of Psychopharmacological Treatment in Bipolar Disorder.
McDonald, Colm
2015-01-01
Bipolar disorder is associated with subtle neuroanatomical deficits including lateral ventricular enlargement, grey matter deficits incorporating limbic system structures, and distributed white matter pathophysiology. Substantial heterogeneity has been identified by structural neuroimaging studies to date and differential psychotropic medication use is potentially a substantial contributor to this. This selective review of structural neuroimaging and diffusion tensor imaging studies considers evidence that lithium, mood stabilisers, antipsychotic medication and antidepressant medications are associated with neuroanatomical variation. Most studies are negative and suffer from methodological weaknesses in terms of directly assessing medication effects on neuroanatomy, since they commonly comprise posthoc assessments of medication associations with neuroimaging metrics in small heterogenous patient groups. However the studies which report positive findings tend to form a relatively consistent picture whereby lithium and antiepileptic mood stabiliser use is associated with increased regional grey matter volume, especially in limbic structures. These findings are further supported by the more methodologically robust studies which include large numbers of patients or repeated intra-individual scanning in longitudinal designs. Some similar findings of an apparently ameliorative effect of lithium on white matter microstructure are also emerging. There is less support for an effect of antipsychotic or antidepressant medication on brain structure in bipolar disorder, but these studies are further limited by methodological difficulties. In general the literature to date supports a normalising effect of lithium and mood stabilisers on brain structure in bipolar disorder, which is consistent with the neuroprotective characteristics of these medications identified by preclinical studies.
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Bennemann, K
2010-06-23
Characteristic results of magnetism in small particles, thin films and tunnel junctions are presented. As a consequence of the reduced atomic coordination in small clusters and thin films the electronic states and density of states are modified. Thus, magnetic moments and magnetization are affected. Generally, in clusters and thin films magnetic anisotropy plays a special role. In tunnel junctions the interplay of magnetism, spin currents and superconductivity are of particular interest. In ring-like mesoscopic systems Aharonov-Bohm-induced currents are studied. Results are given for single transition metal clusters, cluster ensembles, thin films, mesoscopic structures and tunnel systems. © 2010 IOP Publishing Ltd
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Analysis of radiation-induced small Cu particle cluster formation in aqueous CuCl2
Jayanetti, Sumedha; Mayanovic, Robert A.; Anderson, Alan J.; Bassett, William A.; Chou, I.-Ming
2001-01-01
Radition-induced small Cu particle cluster formation in aqueous CuCl2 was analyzed. It was noticed that nearest neighbor distance increased with the increase in the time of irradiation. This showed that the clusters approached the lattice dimension of bulk copper. As the average cluster size approached its bulk dimensions, an increase in the nearest neighbor coordination number was found with the decrease in the surface to volume ratio. Radiolysis of water by incident x-ray beam led to the reduction of copper ions in the solution to themetallic state.
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NASA Astrophysics Data System (ADS)
Siebe, C.
2017-12-01
The Trans-Mexican Volcanic Belt, one of the most complex and active continental arcs worldwide, displays several volcanic fields dominated by monogenetic volcanoes. Of these, the Plio-Quaternary Michoacán-Guanajuato Volcanic Field (MGVF) situated in central Mexico, is the largest monogenetic volcanic field in the world and includes more than 1000 scoria cones and associated lava flows and about 400 medium-sized volcanoes (Mexican shields). The smaller monogenetic vents occur either isolated or form small clusters within the wider MGVF. The recent identification of small clusters comprising several monogenetic volcanoes that erupted in a sequence of geologically short time intervals (hundreds to few thousands of years) in small areas within the much wider MGVF opens several questions in regard to future volcanic hazard assessments in this region: Are the youngest (Holocene) clusters still "active" and is a new eruption likely to occur within their surroundings? How long are such clusters "active"? Will the next monogenetic eruption in the MGVF be a single short-lived isolated eruption, or the beginning of a cluster? Furthermore, is it possible that the historic eruptions of Jorullo (1759) and Paricutin (1943) represent each the beginning of a cluster and should a new eruption in their proximity be expected in the future? In order to address these questions, two Holocene clusters, namely Tacámbaro and Malpaís de Zacapu are currently under study and preliminary results will be presented. Each comprises four monogenetic vents that erupted in a sequence of geologically short time intervals (hundreds to few thousands of years) within a small area (few tens of km2) Geologic mapping, geochemical analyses, radiometric dating, and paleomagnetic studies will help to establish the sequence of eruption of the different vents, and shed more light on the conditions that allow several magma sources to be formed and then tapped in close temporal and spatial proximity to each other and produce such small "flare-ups".
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Construction of ground-state preserving sparse lattice models for predictive materials simulations
NASA Astrophysics Data System (ADS)
Huang, Wenxuan; Urban, Alexander; Rong, Ziqin; Ding, Zhiwei; Luo, Chuan; Ceder, Gerbrand
2017-08-01
First-principles based cluster expansion models are the dominant approach in ab initio thermodynamics of crystalline mixtures enabling the prediction of phase diagrams and novel ground states. However, despite recent advances, the construction of accurate models still requires a careful and time-consuming manual parameter tuning process for ground-state preservation, since this property is not guaranteed by default. In this paper, we present a systematic and mathematically sound method to obtain cluster expansion models that are guaranteed to preserve the ground states of their reference data. The method builds on the recently introduced compressive sensing paradigm for cluster expansion and employs quadratic programming to impose constraints on the model parameters. The robustness of our methodology is illustrated for two lithium transition metal oxides with relevance for Li-ion battery cathodes, i.e., Li2xFe2(1-x)O2 and Li2xTi2(1-x)O2, for which the construction of cluster expansion models with compressive sensing alone has proven to be challenging. We demonstrate that our method not only guarantees ground-state preservation on the set of reference structures used for the model construction, but also show that out-of-sample ground-state preservation up to relatively large supercell size is achievable through a rapidly converging iterative refinement. This method provides a general tool for building robust, compressed and constrained physical models with predictive power.
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Small domain-size multiblock copolymer electrolytes
DOE Office of Scientific and Technical Information (OSTI.GOV)
Pistorino, Jonathan; Eitouni, Hany Basam
2016-09-20
New block polymer electrolytes have been developed which have higher conductivities than previously reported for other block copolymer electrolytes. The new materials are constructed of multiple blocks (>5) of relatively low domain size. The small domain size provides greater protection against formation of dendrites during cycling against lithium in an electrochemical cell, while the large total molecular weight insures poor long range alignment, which leads to higher conductivity. In addition to higher conductivity, these materials can be more easily synthesized because of reduced requirements on the purity level of the reagents.
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NASA Astrophysics Data System (ADS)
Zhu, Jinhui; Yang, Jun; Zhou, Jingjing; Zhang, Tao; Li, Lei; Wang, Jiulin; Nuli, Yanna
2017-10-01
A stable organic-inorganic hybrid layer (OIHL) is direct fabricated on lithium metal surface by the interfacial reaction of lithium metal foil with 1-chlorodecane and oxygen/carbon dioxide mixed gas. This favorable OIHL is approximately 30 μm thick and consists of lithium alkyl carbonate and lithium chloride. The lithium-oxygen batteries with OIHL protected lithium metal anode exhibit longer cycle life (340 cycles) than those with bare lithium metal anode (50 cycles). This desirable performance can be ascribed to the robust OIHL which prevents the growth of lithium dendrites and the corrosion of lithium metal.
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Cluster size dependence of high-order harmonic generation
NASA Astrophysics Data System (ADS)
Tao, Y.; Hagmeijer, R.; Bastiaens, H. M. J.; Goh, S. J.; van der Slot, P. J. M.; Biedron, S. G.; Milton, S. V.; Boller, K.-J.
2017-08-01
We investigate high-order harmonic generation (HHG) from noble gas clusters in a supersonic gas jet. To identify the contribution of harmonic generation from clusters versus that from gas monomers, we measure the high-order harmonic output over a broad range of the total atomic number density in the jet (from 3×1016 to 3 × 1018 {{cm}}-3) at two different reservoir temperatures (303 and 363 K). For the first time in the evaluation of the harmonic yield in such measurements, the variation of the liquid mass fraction, g, versus pressure and temperature is taken into consideration, which we determine, reliably and consistently, to be below 20% within our range of experimental parameters. By comparing the measured harmonic yield from a thin jet with the calculated corresponding yield from monomers alone, we find an increased emission of the harmonics when the average cluster size is less than 3000. Using g, under the assumption that the emission from monomers and clusters add up coherently, we calculate the ratio of the average single-atom response of an atom within a cluster to that of a monomer and find an enhancement of around 100 for very small average cluster size (∼200). We do not find any dependence of the cut-off frequency on the composition of the cluster jet. This implies that HHG in clusters is based on electrons that return to their parent ions and not to neighboring ions in the cluster. To fully employ the enhanced average single-atom response found for small average cluster sizes (∼200), the nozzle producing the cluster jet must provide a large liquid mass fraction at these small cluster sizes for increasing the harmonic yield. Moreover, cluster jets may allow for quasi-phase matching, as the higher mass of clusters allows for a higher density contrast in spatially structuring the nonlinear medium.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Farmer, Joseph
Technology has been developed that enables monitoring of individual cells in high - capacity lithium-ion battery packs, with a distributed array of wireless Bluetooth 4.0 tags and sensors, and without proliferation of extensive wiring harnesses. Given the safety challenges facing lithium-ion batteries in electric vehicle, civilian aviation and defense applications, these wireless sensors may be particularly important to these emerging markets. These wireless sensors will enhance the performance, reliability and safety of such energy storage systems. Specific accomplishments to date include, but are not limited to: (1) the development of wireless tags using Bluetooth 4.0 standard to monitor a largemore » array of sensors in battery pack; (2) sensor suites enabling the simultaneous monitoring of cell voltage, cell current, cell temperature, and package strain, indicative of swelling and increased internal pressure, (3) small receivers compatible with USB ports on portable computers; (4) software drivers and logging software; (5) a 7S2P battery simulator, enabling the safe development of wireless BMS hardware in the laboratory; (6) demonstrated data transmission out of metal enclosures, including battery box, with small variable aperture opening; (7) test data demonstrating the accurate and reliable operation of sensors, with transmission of terminal voltage, cell temperature and package strain at distances up to 110 feet; (8) quantification of the data transmission error as a function of distance, in both indoor and outdoor operation; (9) electromagnetic interference testing during operation with live, high -capacity battery management system at Yardney Technical Products; (10) demonstrat ed operation with live high-capacity lithium-ion battery pack during charge-discharge cycling; (11) development of special polymer-gel lithium-ion batteries with embedded temperature sensors, capable of measuring the core temperature of individual of the cells during charge-discharge cycling at various temperatures, thereby enabling earlier warning of thermal runaway than possible with external sensors. Ultimately, the team plans to extend this work to include: (12) flexible wireless controllers, also using Bluetooth 4.0 standard, essential for balancing large-scale battery packs. LLNL received $925K for this project, and has $191K remaining after accomplishing these objectives.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Farmer, J.
Technology has been developed that enables monitoring of individual cells in high - capacity lithium-ion battery packs, with a distributed array of wireless Bluetooth 4.0 tags and sensors, and without proliferation of extensive wiring harnesses. Given the safety challenges facing lithium-ion batteries in electric vehicle, civilian aviation and defense applications, these wireless sensors may be particularly important to these emerging markets. These wireless sensors will enhance the performance, reliability and safety of such energy storage systems. Specific accomplishments to date include, but are not limited to: (1) the development of wireless tags using Bluetooth 4.0 standard to monitor a largemore » array of sensors in battery pack; (2) sensor suites enabling the simultaneous monitoring of cell voltage, cell current, cell temperature, and package strain, indicative of swelling and increased internal pressure, (3) small receivers compatible with USB ports on portable computers; (4) software drivers and logging software; (5) a 7S2P battery simulator, enabling the safe development of wireless BMS hardware in the laboratory; (6) demonstrated data transmission out of metal enclosures, including battery box, with small variable aperture opening; (7) test data demonstrating the accurate and reliable operation of sensors, with transmission of terminal voltage, cell temperature and package strain at distances up to 110 feet; (8) quantification of the data transmission error as a function of distance, in both indoor and outdoor operation; (9) electromagnetic interference testing during operation with live, high -capacity battery management system at Yardney Technical Products; (10) demonstrat ed operation with live high-capacity lithium-ion battery pack during charge-discharge cycling; (11) development of special polymer-gel lithium-ion batteries with embedded temperature sensors, capable of measuring the core temperature of individual of the cells during charge-discharge cycling at various temperatures, thereby enabling earlier warning of thermal runaway than possible with external sensors. Ultimately, the team plans to extend this work to include: (12) flexible wireless controllers, also using Bluetooth 4.0 standard, essential for balancing large-scale battery packs. LLNL received $925K for this project, and has $191K remaining after accomplishing these objectives.« less
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Tantalum induced butterfly-like clusters on Si (111)-7 × 7 surface: STM/STS study at low coverage
NASA Astrophysics Data System (ADS)
Shukrynau, Pavel; Mutombo, Pingo; Švec, Martin; Hietschold, Michael; Cháb, Vladimír
2012-02-01
The adsorption of the small amounts of tantalum on Si (111)-7 × 7 reconstructed surface is investigated systematically using scanning tunneling microscopy and tunneling spectroscopy combined with first-principles density functional theory calculations. We find out that the moderate annealing of the Ta covered surface results in the formation of clusters of the butterfly-like shape. The clusters are sporadically distributed over the surface and their density is metal coverage dependent. Filled and empty state STM images of the clusters differ strongly suggesting the existence of covalent bonds within the cluster. Tunneling spectroscopy measurements reveal small energy gap, showing semiconductor-like behavior of the constituent atoms. The cluster model based on experimental images and theoretical calculations has been proposed and discussed. Presented results show that Ta joins the family of adsorbates, that are known to form magic clusters on Si (111)-7 × 7, but its magic cluster has the structural and electronic properties that are different from those reported before.
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Chen, Jun Song; Liang, Yen Nan; Li, Yongmei; Yan, Qingyu; Hu, Xiao
2013-10-23
A facile green method to synthesize uniform nanostructured urchinlike rutile TiO2 is demonstrated. Titanium trichloride was selected as the TiO2 precursor, and a mixed solvent containing H2O and ethylene glycol was used. By using this binary medium, the nucleation and crystal growth of rutile TiO2 can be regulated, giving rise to very uniform urchinlike structures with tailorable sizes. As confirmed by the SEM and TEM analysis, large particles with dense aggregation of needle-like building blocks or small ones with loosely packed subunits could be obtained at different reaction conditions. The as-prepared samples were applied as the anode material for lithium-ion batteries, and they were shown to have superior properties with a high reversible capacity of 140 mA h g(-1) at a high current rate of 10 C for up to 300 cycles, which is almost unmatched by other rutile TiO2-based electrodes. A stable capacity of 88 mA h g(-1) can also be delivered at an extremely high rate of 50 C, suggesting the great potential of the as-prepared product for high-rate lithium-ion batteries.
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You, Ya; Celio, Hugo; Li, Jianyu; Dolocan, Andrei; Manthiram, Arumugam
2018-03-30
High-Ni layered oxides are promising next-generation cathodes for lithium-ion batteries owing to their high capacity and lower cost. However, as the Ni content increases over 70 %, they have a high dynamic affinity towards moisture and CO 2 in ambient air, primarily reacting to form LiOH, Li 2 CO 3 , and LiHCO 3 on the surface, which is commonly termed "residual lithium". Air exposure occurs after synthesis as it is common practice to handle and store them under ambient conditions. The air exposure leads to significant performance losses, and hampers the electrode fabrication, impeding their practical viability. Herein, we show that substituting a small amount of Al for Ni in the crystal lattice notably improves the chemical stability against air by limiting the formation of LiOH, Li 2 CO 3 , LiHCO 3 , and NiO in the near-surface region. The Al-doped high-Ni oxides display a high capacity retention with excellent rate capability and cycling stability after being exposed to air for 30 days. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Zhang, Zhenzhen; Guo, Jiawen; Sun, Yali; Tian, Beimin; Zheng, Xiaojuan; Zhou, Ming; He, Lin; Zhang, Shaofeng
2018-05-01
The purpose of this study is to improve wear resistance and mechanical properties of lithium disilicate glass-ceramics by refining their crystal sizes. After lithium disilicate glass-ceramics (LD) were melted to form precursory glass blocks, bar (N = 40, n = 10) and plate (N = 32, n = 8) specimens were prepared. According to the differential scanning calorimetry (DSC) of precursory glass, specimens G1-G4 were designed to form lithium disilicate glass-ceramics with different crystal sizes using a two-step thermal treatment. In the meantime, heat-pressed lithium disilicate glass-ceramics (GC-P) and original ingots (GC-O) were used as control groups. Glass-ceramics were characterized using X-ray diffraction (XRD) and were tested using flexural strength test, nanoindentation test and toughness measurements. The plate specimens were dynamically loaded in a chewing simulator with 350 N up to 2.4 × 10 6 loading cycles. The wear analysis of glass-ceramics was performed using a 3D profilometer after every 300,000 wear cycles. Wear morphologies and microstructures were analyzed by scanning electron microscopy (SEM). One-way analysis of variance (ANOVA) was used to analyze the data. Multiple pairwise comparisons of means were performed by Tukey's post-hoc test. Materials with different crystal sizes (p < 0.05) exhibited different properties. Specifically, G3 with medium-sized crystals presented the highest flexural strength, hardness, elastic modulus and fracture toughness. G1 and G2 with small-sized crystals showed lower flexural strength, whereas G4, GC-P, and GC-O with large-sized crystals exhibited lower hardness and elastic modulus. The wear behaviors of all six groups showed running-in wear stage and steady wear stage. G3 showed the best wear resistance while GC-P and GC-O exhibited the highest wear volume loss. After crystal refining, lithium disilicate glass-ceramic with medium-sized crystals showed the highest wear resistance and mechanical properties. Copyright © 2018 Elsevier Ltd. All rights reserved.
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NASA Astrophysics Data System (ADS)
Faulkner, Ankita Shah
As the demand for clean energy sources increases, large investments have supported R&D programs aimed at developing high power lithium ion batteries for electric vehicles, military, grid storage and space applications. State of the art lithium ion technology cannot meet power demands for these applications due to high internal resistances in the cell. These resistances are mainly comprised of ionic and electronic resistance in the electrode and electrolyte. Recently, much attention has been focused on the use of nanoscale lithium ion active materials on the premise that these materials shorten the diffusion length of lithium ions and increase the surface area for electrochemical charge transfer. While, nanomaterials have allowed significant improvements in the power density of the cell, they are not a complete solution for commercial batteries. Due to their large surface area, they introduce new challenges such as a poor electrode packing densities, high electrolyte reactivity, and expensive synthesis procedures. Since greater than 70% of the cost of the electric vehicle is due to the cost of the battery, a cost-efficient battery design is most critical. To address the limitations of nanomaterials, efficient transport pathways must be engineered in the bulk electrode. As a part of nanomanufacturing research being conducted the Center for High-rate Nanomanufacturing at Northeastern University, the first aim of the proposed work is to develop electrode architectures that enhance electronic and ionic transport pathways in large and small area lithium ion electrodes. These architectures will utilize the unique electronic and mechanical properties of carbon nanotubes to create robust electrode scaffolding that improves electrochemical charge transfer. Using extensive physical and electrochemical characterization, the second aim is to investigate the effect of electrode parameters on electrochemical performance and evaluate the performance against standard commercial electrodes. These parameters include surface morphology, electrode composition, electrode density, and operating temperature. Finally, the third aim is to investigate commercial viability of the electrode architecture. This will be accomplished by developing pouch cell prototypes using a high-rate and low cost scale-up process. Through this work, we aim to realize a commercially viable high-power electrode technology.
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Advanced Micro/Nanostructures for Lithium Metal Anodes
Zhang, Rui; Li, Nian‐Wu; Cheng, Xin‐Bing; Yin, Ya‐Xia
2017-01-01
Owning to their very high theoretical capacity, lithium metal anodes are expected to fuel the extensive practical applications in portable electronics and electric vehicles. However, unstable solid electrolyte interphase and lithium dendrite growth during lithium plating/stripping induce poor safety, low Coulombic efficiency, and short span life of lithium metal batteries. Lately, varies of micro/nanostructured lithium metal anodes are proposed to address these issues in lithium metal batteries. With the unique surface, pore, and connecting structures of different nanomaterials, lithium plating/stripping processes have been regulated. Thus the electrochemical properties and lithium morphologies have been significantly improved. These micro/nanostructured lithium metal anodes shed new light on the future applications for lithium metal batteries. PMID:28331792
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Local Higher-Order Graph Clustering
Yin, Hao; Benson, Austin R.; Leskovec, Jure; Gleich, David F.
2018-01-01
Local graph clustering methods aim to find a cluster of nodes by exploring a small region of the graph. These methods are attractive because they enable targeted clustering around a given seed node and are faster than traditional global graph clustering methods because their runtime does not depend on the size of the input graph. However, current local graph partitioning methods are not designed to account for the higher-order structures crucial to the network, nor can they effectively handle directed networks. Here we introduce a new class of local graph clustering methods that address these issues by incorporating higher-order network information captured by small subgraphs, also called network motifs. We develop the Motif-based Approximate Personalized PageRank (MAPPR) algorithm that finds clusters containing a seed node with minimal motif conductance, a generalization of the conductance metric for network motifs. We generalize existing theory to prove the fast running time (independent of the size of the graph) and obtain theoretical guarantees on the cluster quality (in terms of motif conductance). We also develop a theory of node neighborhoods for finding sets that have small motif conductance, and apply these results to the case of finding good seed nodes to use as input to the MAPPR algorithm. Experimental validation on community detection tasks in both synthetic and real-world networks, shows that our new framework MAPPR outperforms the current edge-based personalized PageRank methodology. PMID:29770258
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NASA Astrophysics Data System (ADS)
Chirayil, Thomas George
Novel layered or tunneled vanadium oxides are sought as a substitute for the expensive Lisb{x}CoOsb2 cathode material in lithium rechargeable batteries. The hydrothermal synthesis approach was taken in search of new vanadium oxides in the presence of a structure directing cation, TMA. A systematic study was done on the hydrothermal synthesis of the Vsb{2}Osb{5}-TMAOH-LiOH system. It was determined from this study that the pH of the reaction mixture was very critical in the formation of many compounds. Acetic acid utilized to adjust the pH of the reaction mixture in the presence of TMA behaved as a buffer and maintained a constant pH during the reaction. Hydrothermal synthesis conducted between pH 10 and 2 resulted in the formation of 7 compounds. At the highest pH, a well known compound Lisb3VOsb4, was formed. Between pH 5.2-9, a layered compound, TMAVsb3Osb7 resulted. The thermal treatment of TMAVsb3Osb7 under oxygen lead to an oxidized phase, TMAVsb3Osb8, which increased its lithium capacity significantly. Between pH 5-6, a cluster compound, TMAsb8lbrack Vsb{22}Osb{54}(CHsb3COO)rbrack{*}4Hsb2O with the acetate ion trapped inside the caged Vsb{22}Osb{54} cluster, and a layered vanadium oxide, Lisb{x}Vsb{2-delta}Osb{4-delta}{*}Hsb2O was obtained. The Lisb{x}Vsb{2-delta}Osb{4-delta}{*}Hsb2O compound was dehydrated to form Lisb{x}Vsb{2-delta}Osb{4-delta} and the lithium was removed electrochemically to form a new type of "VOsb2". Several alkylamines, DMSO and an additional water molecule were intercalated to swell the layers of Lisb{x}Vsb{2-delta}Osb{4-delta}{*}Hsb2O. Lowering the pH between 3.0-3.5, resulted in layered compound, TMAVsb4Osb{10}, with TMA residing between the layers. Layered compounds, TMAVsb8Osb{20} and TMAsb{0.17}Hsp+sb{0.1}Vsb2Osb5, were obtained at very acidic conditions. The hydrothermally grown TMAsb{0.17}Hsp+sb{0.1}Vsb2Osb5 is similar to the xerogel Vsb2Osb5 intercalated with TMA synthesized by the sol-gel process. Several trends were observed as the pH was varied, in this study. The vanadium coordination changed from only tetrahedra at the highest pH in Lisb3VOsb4, to tetrahedra and square pyramids in TMAVsb3Osb7, to only square pyramids in TMAsb8lbrack Vsb{22}Osb{54}(CHsb3COO)rbrack{*}4Hsb2O,\\ Lisb{x}Vsb{2-delta}Osb{4-delta}{*}Hsb2O and TMAVsb4Osb{10}, to octahedra in TMAVsb8Osb{20} and TMAsb{0.17}Hsp+sb{0.1}Vsb2Osb5. The TMA content in the compounds decreased as the pH was decreased. Electrochemical studies indicated that the lithium capacity of the TMA containing layered compounds increased as the content of TMA decreased. Preliminary shadies indicated that the acids used to adjust the pH of the reaction mixture can also influence the type of products obtained by the hydrothermal method. The synthesis and the detailed characterization of these vanadium oxides are thoroughly discussed in this dissertation.
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NASA Technical Reports Server (NTRS)
Giampapa, Mark S. (Editor); Bookbinder, Jay A. (Editor)
1992-01-01
Consideration is given to HST observations of late-type stars, molecular absorption in the UV spectrum of Alpha Ori, EUV emission from late-type stars, Rosat observations of the Pleiades cluster, a deep ROSAT observation of the Hyades cluster, optical spectroscopy detected by EXOSAT, stellar photospheric convection, a structure of the solar X-ray corona, magnetic surface images of the BY Dra Star HD 82558, a Zebra interpretatin of BY Dra stars, optical flares on II Peg, a low-resolution spectroscopic survey of post-T tauri candidates, millimeter and sub-millimeter emission from flare stars, and activity in tidally interacting binaries. Attention is also given to modeling stellar angular momentum evolution, extended 60-micron emission from nearby Mira variables, the PANDORA atmosphere program, the global properties of active regions, oscillations in a stratified atmosphere, lithium abundances in northern RS CVn binaries, a new catalog of cool dwarf stars, the Far UV Spectrograph Explorer, and development of reflecting coronagraphs.
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Effects of washing on mineral composition of leaf samples of Lycium andersonii
DOE Office of Scientific and Technical Information (OSTI.GOV)
Wallace, A.; Romney, E.M.; Hunter, R.B.
1982-07-01
Leaves of Lycium andersonii A. Gray from 20 different shrubs from the northern Mojave Desert were collected. Half of each sample was washed in 1/10 N HCl followed with deionized water before analysis in triplicate by optical emission spectrometry, and the other half was analyzed unwashed. Washed samples contained 12, 35, 33, 40, 55, 47, 57, 8, 8, 9, and 20 percent, respectivey, less calcium, zinc, copper, iron, aluminum, silicon, titanium, strontium, barium, lithium, and lead than did unwashed leaves. The losses probably exceed contamination for some elements, because the results differed in some respects from those obtained for citrus.more » Statisticaly significant differences were not obtained for other elements analyzed. Even though 40 to 57 percent of the iron, aluminum, silicon, and titanium was washed from the leaves, cluster analyses grouped the four elements into a common cluster whether or not the leaves had been washed. Washing resulted in a lower coefficient of variation for some of the elements compared with unwashed leaves.« less
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Tuberculosis outbreaks predicted by characteristics of first patients in a DNA fingerprint cluster.
Kik, Sandra V; Verver, Suzanne; van Soolingen, Dick; de Haas, Petra E W; Cobelens, Frank G; Kremer, Kristin; van Deutekom, Henk; Borgdorff, Martien W
2008-07-01
Some clusters of patients who have Mycobacterium tuberculosis isolates with identical DNA fingerprint patterns grow faster than others. It is unclear what predictors determine cluster growth. To assess whether the development of a tuberculosis (TB) outbreak can be predicted by the characteristics of its first two patients. Demographic and clinical data of all culture-confirmed patients with TB in the Netherlands from 1993 through 2004 were combined with DNA fingerprint data. Clusters were restricted to cluster episodes of 2 years to only detect newly arising clusters. Characteristics of the first two patients were compared between small (2-4 cases) and large (5 or more cases) cluster episodes. Of 5,454 clustered cases, 1,756 (32%) were part of a cluster episode of 2 years. Of 622 cluster episodes, 54 (9%) were large and 568 (91%) were small episodes. Independent predictors for large cluster episodes were as follows: less than 3 months' time between the diagnosis of the first two patients, one or both patients were young (<35 yr), both patients lived in an urban area, and both patients came from sub-Saharan Africa. In the Netherlands, patients in new cluster episodes should be screened for these risk factors. When the risk pattern applies, targeted interventions (e.g., intensified contact investigation) should be considered to prevent further cluster expansion.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Banerjee, Debasis; Borkowski, Lauren A.; Kim, Sun Jin
Two lithium-based metal-organic frameworks, Li{sub 2}(C{sub 14}H{sub 8}O{sub 4}) [Li{sub 2}(4,4'-BPDC) [1]; ULMOF-2, UL = ultralight; BPDC = biphenyldicarboxylate]; space group P2{sub 1}/c, a = 12.758(2) {angstrom}, b = 5.142(4) {angstrom}, c = 8.00(2) {angstrom}, {beta} = 97.23{sup o}, V = 520.6(14) {angstrom}{sup 3} and Li{sub 2}(C{sub 14}H{sub 8}O{sub 6}S) [Li{sub 2}(4,4'-SDB) [2]; ULMOF-3, UL = ultralight; SDB = sulfonyldibenzoate], space group P2{sub 1}/n, a = 5.5480(11) {angstrom}, b = 23.450(5) {angstrom}, c = 10.320(2) {angstrom}, {beta} = 96.47(3){sup o}, V = 1334.1(5) {angstrom}3, were synthesized. Compounds 1 and 2 were synthesized by solvothermal methods and were characterized using singlemore » crystal X-ray diffraction. Structure 1 consists of layers of two-dimensional antifluorite related LiO motif connected by BPDC linkers, whereas structure 2 is constructed by a combination of tetrameric lithium polyhedral clusters connected by the sulfonyldibenzoate linker. The frameworks are stable up to 575 and 500 C, respectively, under N{sub 2} atmosphere.« less
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Sun, Li; Li, Mengya; Jiang, Ying; Kong, Weibang; Jiang, Kaili; Wang, Jiaping; Fan, Shoushan
2014-07-09
A binder-free nano sulfur-carbon nanotube composite material featured by clusters of sulfur nanocrystals anchored across the superaligned carbon nanotube (SACNT) matrix is fabricated via a facile solution-based method. The conductive SACNT matrix not only avoids self-aggregation and ensures dispersive distribution of the sulfur nanocrystals but also offers three-dimensional continuous electron pathway, provides sufficient porosity in the matrix to benefit electrolyte infiltration, confines the sulfur/polysulfides, and accommodates the volume variations of sulfur during cycling. The nanosized sulfur particles shorten lithium ion diffusion path, and the confinement of sulfur particles in the SACNT network guarantees the stability of structure and electrochemical performance of the composite. The nano S-SACNT composite cathode delivers an initial discharge capacity of 1071 mAh g(-1), a peak capacity of 1088 mAh g(-1), and capacity retention of 85% after 100 cycles with high Coulombic efficiency (∼100%) at 1 C. Moreover, at high current rates the nano S-SACNT composite displays impressive capacities of 1006 mAh g(-1) at 2 C, 960 mAh g(-1) at 5 C, and 879 mAh g(-1) at 10 C.
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Zhang, X; Patel, L A; Beckwith, O; Schneider, R; Weeden, C J; Kindt, J T
2017-11-14
Micelle cluster distributions from molecular dynamics simulations of a solvent-free coarse-grained model of sodium octyl sulfate (SOS) were analyzed using an improved method to extract equilibrium association constants from small-system simulations containing one or two micelle clusters at equilibrium with free surfactants and counterions. The statistical-thermodynamic and mathematical foundations of this partition-enabled analysis of cluster histograms (PEACH) approach are presented. A dramatic reduction in computational time for analysis was achieved through a strategy similar to the selector variable method to circumvent the need for exhaustive enumeration of the possible partitions of surfactants and counterions into clusters. Using statistics from a set of small-system (up to 60 SOS molecules) simulations as input, equilibrium association constants for micelle clusters were obtained as a function of both number of surfactants and number of associated counterions through a global fitting procedure. The resulting free energies were able to accurately predict micelle size and charge distributions in a large (560 molecule) system. The evolution of micelle size and charge with SOS concentration as predicted by the PEACH-derived free energies and by a phenomenological four-parameter model fit, along with the sensitivity of these predictions to variations in cluster definitions, are analyzed and discussed.
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NASA Astrophysics Data System (ADS)
Saha, P.; Rahane, A. B.; Kumar, V.; Sukumar, N.
2016-05-01
Boron atomic clusters show several interesting and unusual size-dependent features due to the small covalent radius, electron deficiency, and higher coordination number of boron as compared to carbon. These include aromaticity and a diverse array of structures such as quasi-planar, ring or tubular shaped, and fullerene-like. In the present work, we have analyzed features of the computed electron density distributions of small boron clusters having up to 11 boron atoms, and investigated the effect of doping with C, P, Al, Si, and Zn atoms on their structural and physical properties, in order to understand the bonding characteristics and discern trends in bonding and stability. We find that in general there are covalent bonds as well as delocalized charge distribution in these clusters. We associate the strong stability of some of these planar/quasiplanar disc-type clusters with the electronic shell closing with effectively twelve delocalized valence electrons using a disc-shaped jellium model. {{{{B}}}9}-, B10, B7P, and B8Si, in particular, are found to be exceptional with very large gaps between the highest occupied molecular orbital and the lowest unoccupied molecular orbital, and these are suggested to be magic clusters.
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Lavenn, Christophe; Albrieux, Florian; Tuel, Alain; Demessence, Aude
2014-03-15
Research interest in ultra small gold thiolate clusters has been rising in recent years for the challenges they offer to bring together properties of nanoscience and well-defined materials from molecular chemistry. Here, a new atomically well-defined Au10 gold nanocluster surrounded by ten 4-aminothiophenolate ligands is reported. Its synthesis followed the similar conditions reported for the elaboration of Au144(SR)60, but because the reactivity of thiophenol ligands is different from alkanethiol derivates, smaller Au10 clusters were formed. Different techniques, such as ESI-MS, elemental analysis, XRD, TGA, XPS and UV-vis-NIR experiments, have been carried out to determine the Au10(SPh-pNH2)10 formula. Photoemission experiment has been done and reveals that the Au10 clusters are weakly luminescent as opposed to the amino-based ultra-small gold clusters. This observation points out that the emission of gold thiolate clusters is highly dependent on both the structure of the gold core and the type of the ligands at the surface. In addition, ultra-small amino-functionalized clusters offer the opportunity for extended work on self-assembling networks or deposition on substrates for nanotechnologies or catalytic applications. Copyright © 2013 Elsevier Inc. All rights reserved.
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Scott, JoAnna M; deCamp, Allan; Juraska, Michal; Fay, Michael P; Gilbert, Peter B
2017-04-01
Stepped wedge designs are increasingly commonplace and advantageous for cluster randomized trials when it is both unethical to assign placebo, and it is logistically difficult to allocate an intervention simultaneously to many clusters. We study marginal mean models fit with generalized estimating equations for assessing treatment effectiveness in stepped wedge cluster randomized trials. This approach has advantages over the more commonly used mixed models that (1) the population-average parameters have an important interpretation for public health applications and (2) they avoid untestable assumptions on latent variable distributions and avoid parametric assumptions about error distributions, therefore, providing more robust evidence on treatment effects. However, cluster randomized trials typically have a small number of clusters, rendering the standard generalized estimating equation sandwich variance estimator biased and highly variable and hence yielding incorrect inferences. We study the usual asymptotic generalized estimating equation inferences (i.e., using sandwich variance estimators and asymptotic normality) and four small-sample corrections to generalized estimating equation for stepped wedge cluster randomized trials and for parallel cluster randomized trials as a comparison. We show by simulation that the small-sample corrections provide improvement, with one correction appearing to provide at least nominal coverage even with only 10 clusters per group. These results demonstrate the viability of the marginal mean approach for both stepped wedge and parallel cluster randomized trials. We also study the comparative performance of the corrected methods for stepped wedge and parallel designs, and describe how the methods can accommodate interval censoring of individual failure times and incorporate semiparametric efficient estimators.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Lupi, Laura; Kastelowitz, Noah; Molinero, Valeria, E-mail: Valeria.Molinero@utah.edu
Carbonaceous surfaces are a major source of atmospheric particles and could play an important role in the formation of ice. Here we investigate through molecular simulations the stability, metastability, and molecular pathways of deposition of amorphous ice, bilayer ice, and ice I from water vapor on graphitic and atomless Lennard-Jones surfaces as a function of temperature. We find that bilayer ice is the most stable ice polymorph for small cluster sizes, nevertheless it can grow metastable well above its region of thermodynamic stability. In agreement with experiments, the simulations predict that on increasing temperature the outcome of water deposition ismore » amorphous ice, bilayer ice, ice I, and liquid water. The deposition nucleation of bilayer ice and ice I is preceded by the formation of small liquid clusters, which have two wetting states: bilayer pancake-like (wetting) at small cluster size and droplet-like (non-wetting) at larger cluster size. The wetting state of liquid clusters determines which ice polymorph is nucleated: bilayer ice nucleates from wetting bilayer liquid clusters and ice I from non-wetting liquid clusters. The maximum temperature for nucleation of bilayer ice on flat surfaces, T{sub B}{sup max} is given by the maximum temperature for which liquid water clusters reach the equilibrium melting line of bilayer ice as wetting bilayer clusters. Increasing water-surface attraction stabilizes the pancake-like wetting state of liquid clusters leading to larger T{sub B}{sup max} for the flat non-hydrogen bonding surfaces of this study. The findings of this study should be of relevance for the understanding of ice formation by deposition mode on carbonaceous atmospheric particles, including soot.« less
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Interactions of small platinum clusters with the TiC(001) surface
DOE Office of Scientific and Technical Information (OSTI.GOV)
Mao, Jianjun; Li, Shasha; Chu, Xingli
2015-11-14
Density functional theory calculations are used to elucidate the interactions of small platinum clusters (Pt{sub n}, n = 1–5) with the TiC(001) surface. The results are analyzed in terms of geometric, energetic, and electronic properties. It is found that a single Pt atom prefers to be adsorbed at the C-top site, while a Pt{sub 2} cluster prefers dimerization and a Pt{sub 3} cluster forms a linear structure on the TiC(001). As for the Pt{sub 4} cluster, the three-dimensional distorted tetrahedral structure and the two-dimensional square structure almost have equal stability. In contrast with the two-dimensional isolated Pt{sub 5} cluster, the adsorbed Pt{submore » 5} cluster prefers a three-dimensional structure on TiC(001). Substantial charge transfer takes place from TiC(001) surface to the adsorbed Pt{sub n} clusters, resulting in the negatively charged Pt{sub n} clusters. At last, the d-band centers of the absorbed Pt atoms and their implications in the catalytic activity are discussed.« less
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NASA Astrophysics Data System (ADS)
Ahumada, A. V.; Claria, J. J.; Bica, E.; Parisi, M. C.; Torres, M. C.; Pavani, D. B.
We present integrated spectra obtained at CASLEO (Argentina) for 9 galactic open clusters of small angular diameter. Two of them (BH 55 and Rup 159) have not been the target of previous research. The flux-calibrated spectra cover the spectral range approx. 3600-6900 A. Using the equivalent widths (EWs) of the Balmer lines and comparing the cluster spectra with template spectra, we determined E(B-V) colour excesses and ages for the present cluster sample. The parameters obtained for 6 of the clusters show good agreement with previous determinations based mainly on photometric methods. This is not the case, however, for BH 90, a scarcely reddened cluster, for which Moffat and Vogt (1975, Astron. and Astroph. SS, 20, 125) derived E(B-V) = 0.51. We explain and justify the strong discrepancy found for this object. According to the present analysis, 3 clusters are very young (Bo 14, Tr 15 and Tr 27), 2 are moderately young (NGC 6268 and BH 205), 3 are Hyades-like clusters (Rup 164, BH 90 and BH 55) and only one is an intermediate-age cluster (Rup 159).
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NASA Technical Reports Server (NTRS)
Cen, Renyue
1994-01-01
The mass and velocity distributions in the outskirts (0.5-3.0/h Mpc) of simulated clusters of galaxies are examined for a suite of cosmogonic models (two Omega(sub 0) = 1 and two Omega(sub 0) = 0.2 models) utilizing large-scale particle-mesh (PM) simulations. Through a series of model computations, designed to isolate the different effects, we find that both Omega(sub 0) and P(sub k) (lambda less than or = 16/h Mpc) are important to the mass distributions in clusters of galaxies. There is a correlation between power, P(sub k), and density profiles of massive clusters; more power tends to point to the direction of a stronger correlation between alpha and M(r less than 1.5/h Mpc); i.e., massive clusters being relatively extended and small mass clusters being relatively concentrated. A lower Omega(sub 0) universe tends to produce relatively concentrated massive clusters and relatively extended small mass clusters compared to their counterparts in a higher Omega(sub 0) model with the same power. Models with little (initial) small-scale power, such as the hot dark matter (HDM) model, produce more extended mass distributions than the isothermal distribution for most of the mass clusters. But the cold dark matter (CDM) models show mass distributions of most of the clusters more concentrated than the isothermal distribution. X-ray and gravitational lensing observations are beginning providing useful information on the mass distribution in and around clusters; some interesting constraints on Omega(sub 0) and/or the (initial) power of the density fluctuations on scales lambda less than or = 16/h Mpc (where linear extrapolation is invalid) can be obtained when larger observational data sets, such as the Sloan Digital Sky Survey, become available.
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Research, Development and Fabrication of Lithium Solar Cells, Part 2
NASA Technical Reports Server (NTRS)
Iles, P. A.
1972-01-01
The development and fabrication of lithium solar cells are discussed. Several single-step, lithium diffusion schedules using lower temperatures and times are described. A comparison was made using evaporated lithium metal as the lithium source, and greatly improved consistency in lithium concentrations was obtained. It was possible to combine all processing steps to obtain lithium doped cells of high output which also contained adequate lithium to ensure good recoverability.
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21 CFR 862.3560 - Lithium test system.
Code of Federal Regulations, 2012 CFR
2012-04-01
... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Lithium test system. 862.3560 Section 862.3560....3560 Lithium test system. (a) Identification. A lithium test system is a device intended to measure lithium (from the drug lithium carbonate) in serum or plasma. Measurements of lithium are used to assure...
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21 CFR 862.3560 - Lithium test system.
Code of Federal Regulations, 2013 CFR
2013-04-01
... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Lithium test system. 862.3560 Section 862.3560....3560 Lithium test system. (a) Identification. A lithium test system is a device intended to measure lithium (from the drug lithium carbonate) in serum or plasma. Measurements of lithium are used to assure...
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21 CFR 862.3560 - Lithium test system.
Code of Federal Regulations, 2010 CFR
2010-04-01
... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Lithium test system. 862.3560 Section 862.3560....3560 Lithium test system. (a) Identification. A lithium test system is a device intended to measure lithium (from the drug lithium carbonate) in serum or plasma. Measurements of lithium are used to assure...
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21 CFR 862.3560 - Lithium test system.
Code of Federal Regulations, 2014 CFR
2014-04-01
... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Lithium test system. 862.3560 Section 862.3560....3560 Lithium test system. (a) Identification. A lithium test system is a device intended to measure lithium (from the drug lithium carbonate) in serum or plasma. Measurements of lithium are used to assure...
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21 CFR 862.3560 - Lithium test system.
Code of Federal Regulations, 2011 CFR
2011-04-01
... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Lithium test system. 862.3560 Section 862.3560....3560 Lithium test system. (a) Identification. A lithium test system is a device intended to measure lithium (from the drug lithium carbonate) in serum or plasma. Measurements of lithium are used to assure...
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Stabilized Lithium-Metal Surface in a Polysulfide-Rich Environment of Lithium-Sulfur Batteries.
Zu, Chenxi; Manthiram, Arumugam
2014-08-07
Lithium-metal anode degradation is one of the major challenges of lithium-sulfur (Li-S) batteries, hindering their practical utility as next-generation rechargeable battery chemistry. The polysulfide migration and shuttling associated with Li-S batteries can induce heterogeneities of the lithium-metal surface because it causes passivation by bulk insulating Li2S particles/electrolyte decomposition products on a lithium-metal surface. This promotes lithium dendrite formation and leads to poor lithium cycling efficiency with complicated lithium surface chemistry. Here, we show copper acetate as a surface stabilizer for lithium metal in a polysulfide-rich environment of Li-S batteries. The lithium surface is protected from parasitic reactions with the organic electrolyte and the migrating polysulfides by an in situ chemical formation of a passivation film consisting of mainly Li2S/Li2S2/CuS/Cu2S and electrolyte decomposition products. This passivation film also suppresses lithium dendrite formation by controlling the lithium deposition sites, leading to a stabilized lithium surface characterized by a dendrite-free morphology and improved surface chemistry.
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Jaskula, B.W.
2013-01-01
In 2012, estimated world lithium consumption was about 28 kt (31,000 st) of lithium contained in minerals and compounds, an 8 percent increase from that of 2011. Estimated U.S. consumption was about 2 kt (2,200 st) of contained lithium, the same as that of 2011. The United States was thought to rank fourth in consumption of lithium and remained the leading importer of lithium carbonate and the leading producer of value-added lithium materials. One company, Rockwood Lithium Inc., produced lithium compounds from domestic brine resources near Silver Peak, NV.
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Coupled multipolar interactions in small-particle metallic clusters.
Pustovit, Vitaly N; Sotelo, Juan A; Niklasson, Gunnar A
2002-03-01
We propose a new formalism for computing the optical properties of small clusters of particles. It is a generalization of the coupled dipole-dipole particle-interaction model and allows one in principle to take into account all multipolar interactions in the long-wavelength limit. The method is illustrated by computations of the optical properties of N = 6 particle clusters for different multipolar approximations. We examine the effect of separation between particles and compare the optical spectra with the discrete-dipole approximation and the generalized Mie theory.
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A Wsbnd Ne interatomic potential for simulation of neon implantation in tungsten
NASA Astrophysics Data System (ADS)
Backman, Marie; Juslin, Niklas; Huang, Guiyang; Wirth, Brian D.
2016-08-01
An interatomic pair potential for Wsbnd Ne is developed for atomistic molecular dynamics simulations of neon implantation in tungsten. The new potential predicts point defect energies and binding energies of small clusters that are in good agreement with electronic structure calculations. Molecular dynamics simulations of small neon clusters in tungsten show that trap mutation, in which an interstitial neon cluster displaces a tungsten atom from its lattice site, occurs for clusters of three or more neon atoms. However, near a free surface, trap mutation can occur at smaller sizes, including even a single neon interstitial in close proximity to a (100) or (110) surface.
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A Theoretical Study of Structural, Electronic and Vibrational Properties of Small Fluoride Clusters
NASA Astrophysics Data System (ADS)
Waters, Kevin; Pandey, Ratnesh; Nigam, Sandeep; He, Haiying; Pingle, Subhash; Pandey, Avinash; Pandey, Ravindra
2014-03-01
Alkaline earth metal fluorides are an interesting family of ionic crystals having a wide range of applications in solid state lasers, luminescence, scintillators, to name just a few. In this work, small stoichiometric clusters of (MF2)n (M = Mg, Ca Sr, Ba, n =1-6) were studied for structural, vibrational and electronic properties using first-principles methods based on density functional theory. A clear trend of structural and electronic structure evolution was found for all the alkaline earth metal fluorides when the cluster size n increases from 1 to 6. Our study reveals that these fluoride clusters mimic the bulk-like behavior at the very small size. Among the four series of metal fluorides, however, (MgF2)n clusters stands out to be different in its preference of equilibrium structures owing to the much smaller ionic radius of Mg and the higher degree of covalency in the Mg-F bonding. The calculated binding energy, highest stretching frequency, ionization potential, and HOMO-LUMO gap decrease from MgF2 to BaF2 for the same cluster size. These variations are explained in terms of the change in the ionic radius and the basicity of the metal ions.
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Liu, Sheng; Li, Guo-Ran; Gao, Xue-Ping
2016-03-01
Lithium-sulfur (Li-S) battery is regarded as one of the most promising candidates beyond conventional lithium ion batteries. However, the instability of the metallic lithium anode during lithium electrochemical dissolution/deposition is still a major barrier for the practical application of Li-S battery. In this work, lanthanum nitrate, as electrolyte additive, is introduced into Li-S battery to stabilize the surface of lithium anode. By introducing lanthanum nitrate into electrolyte, a composite passivation film of lanthanum/lithium sulfides can be formed on metallic lithium anode, which is beneficial to decrease the reducibility of metallic lithium and slow down the electrochemical dissolution/deposition reaction on lithium anode for stabilizing the surface morphology of metallic Li anode in lithium-sulfur battery. Meanwhile, the cycle stability of the fabricated Li-S cell is improved by introducing lanthanum nitrate into electrolyte. Apparently, lanthanum nitrate is an effective additive for the protection of lithium anode and the cycling stability of Li-S battery.
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Yamamoto, Yuta; Iriyama, Yasutoshi; Muto, Shunsuke
2016-04-01
In this article, we propose a smart image-analysis method suitable for extracting target features with hierarchical dimension from original data. The method was applied to three-dimensional volume data of an all-solid lithium-ion battery obtained by the automated sequential sample milling and imaging process using a focused ion beam/scanning electron microscope to investigate the spatial configuration of voids inside the battery. To automatically fully extract the shape and location of the voids, three types of filters were consecutively applied: a median blur filter to extract relatively larger voids, a morphological opening operation filter for small dot-shaped voids and a morphological closing operation filter for small voids with concave contrasts. Three data cubes separately processed by the above-mentioned filters were integrated by a union operation to the final unified volume data, which confirmed the correct extraction of the voids over the entire dimension contained in the original data. © The Author 2015. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.
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Method of recycling lithium borate to lithium borohydride through diborane
Filby, Evan E.
1976-01-01
This invention provides a method for the recycling of lithium borate to lithium borohydride which can be reacted with water to generate hydrogen for utilization as a fuel. The lithium borate by-product of the hydrogen generation reaction is reacted with hydrogen chloride and water to produce boric acid and lithium chloride. The boric acid and lithium chloride are converted to lithium borohydride through a diborane intermediate to complete the recycle scheme.
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2015-01-01
The role of twist-boat conformers of cyclohexanones in hydride reductions was explored. The hydride reductions of a cis-2,6-disubstituted N-acylpiperidone, an N-acyltropinone, and tert-butylcyclohexanone by lithium aluminum hydride and by a bulky borohydride reagent were investigated computationally and compared to experiment. Our results indicate that in certain cases, factors such as substrate conformation, nucleophile bulkiness, and remote steric features can affect stereoselectivity in ways that are difficult to predict by the general Felkin–Anh model. In particular, we have calculated that a twist-boat conformation is relevant to the reactivity and facial selectivity of hydride reduction of cis-2,6-disubstituted N-acylpiperidones with a small hydride reagent (LiAlH4) but not with a bulky hydride (lithium triisopropylborohydride). PMID:25372509
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NASA Astrophysics Data System (ADS)
Lin, Che-Tseng; Huang, Tzu-Yang; Huang, Jau-Jiun; Wu, Nae-Lih; Leung, Man-kit
2016-10-01
Multifunctional co-poly(amic acid) (PAmA) containing pyrene and carboxylic acid side-chains is developed as a binder for the recycled kerf-loss Si-Ni-SiC composite anode. The capacity retention performance of the lithium-ion battery can be apparently enhanced. In a long-cycle test of 300 lithiation/delithiation cycles, 79% of capacity retention is achieved. In considering that the recycled kerf-loss Si sample contains 38 wt% inactive micro-sized SiC abrasive particles, the achieved capacity of 648 mAh g-1 is reasonably high in comparison to other reported values. Small anode thickness expansion of 43% is found in a 100 cycle test, reflecting that the use of the PAmA binder can create strong interconnection among the silicon particles, conductive carbons and copper electrode.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Roberts, Scott A.; Mendoza, Hector; Brunini, Victor E.
Battery performance, while observed at the macroscale, is primarily governed by the bicontinuous mesoscale network of the active particles and a polymeric conductive binder in its electrodes. Manufacturing processes affect this mesostructure, and therefore battery performance, in ways that are not always clear outside of empirical relationships. Directly studying the role of the mesostructure is difficult due to the small particle sizes (a few microns) and large mesoscale structures. Mesoscale simulation, however, is an emerging technique that allows the investigation into how particle-scale phenomena affect electrode behavior. In this manuscript, we discuss our computational approach for modeling electrochemical, mechanical, andmore » thermal phenomena of lithium-ion batteries at the mesoscale. Here, we review our recent and ongoing simulation investigations and discuss a path forward for additional simulation insights.« less
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Molecular structure of the lithium enolate of acetaldehyde
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lynch, T.J.; Newcomb, M.; Bergbreiter, D.E.
1980-11-21
Calculations of the structures of isomers of the lithium enolate of acetaldehyde done at the restricted Hartree-Fock level with the HONDO program on the CDC 7600 are reported. Using the standard 4-31 G basis set, these calculations produce excessively large bond angles, and this favors the most open of the three isomeric structures. Including the polarization functions on the carbons and oxygen and using the recent Dunning and Hayes (3s2p/2s) contraction indicates that the chirol enolates are the lowest energy structure. However, the differences of the various enolate structures are small and could be modified by solvent effects. These resultsmore » are proported to suggest that the enolates containing internal ligands may be prepared such that a new chirol center would exist by virtue of the counterion position. (BLM)« less
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In Situ Coating of Li[Ni0.33 Mn0.33 Co0.33 ]O2 Particles to Enable Aqueous Electrode Processing.
Loeffler, Nicholas; Kim, Guk-Tae; Mueller, Franziska; Diemant, Thomas; Kim, Jae-Kwang; Behm, R Jürgen; Passerini, Stefano
2016-05-23
The aqueous processing of lithium-ion battery (LIB) electrodes has the potential to notably decrease the battery processing costs and paves the way for a sustainable and environmentally benign production (and recycling) of electrochemical energy storage devices. Although this concept has already been adopted for the industrial production of LIB graphite anodes, the performance decay of cathode electrodes based on transition metal oxides processed in aqueous environments is still an open issue. In this study, we show that the addition of small quantities of phosphoric acid into the cathodic slurry yields Li[Ni0.33 Mn0.33 Co0.33 ]O2 electrodes that have an outstanding electrochemical performance in lithium-ion cells. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Roberts, Scott A.; Mendoza, Hector; Brunini, Victor E.; ...
2016-10-20
Battery performance, while observed at the macroscale, is primarily governed by the bicontinuous mesoscale network of the active particles and a polymeric conductive binder in its electrodes. Manufacturing processes affect this mesostructure, and therefore battery performance, in ways that are not always clear outside of empirical relationships. Directly studying the role of the mesostructure is difficult due to the small particle sizes (a few microns) and large mesoscale structures. Mesoscale simulation, however, is an emerging technique that allows the investigation into how particle-scale phenomena affect electrode behavior. In this manuscript, we discuss our computational approach for modeling electrochemical, mechanical, andmore » thermal phenomena of lithium-ion batteries at the mesoscale. Here, we review our recent and ongoing simulation investigations and discuss a path forward for additional simulation insights.« less
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Fatigue crack propagation in aluminum-lithium alloys
NASA Technical Reports Server (NTRS)
Rao, K. T. V.; Ritchie, R. O.; Piascik, R. S.; Gangloff, R. P.
1989-01-01
The principal mechanisms which govern the fatigue crack propagation resistance of aluminum-lithium alloys are investigated, with emphasis on their behavior in controlled gaseous and aqueous environments. Extensive data describe the growth kinetics of fatigue cracks in ingot metallurgy Al-Li alloys 2090, 2091, 8090, and 8091 and in powder metallurgy alloys exposed to moist air. Results are compared with data for traditional aluminum alloys 2024, 2124, 2618, 7075, and 7150. Crack growth is found to be dominated by shielding from tortuous crack paths and resultant asperity wedging. Beneficial shielding is minimized for small cracks, for high stress ratios, and for certain loading spectra. While water vapor and aqueous chloride environments enhance crack propagation, Al-Li-Cu alloys behave similarly to 2000-series aluminum alloys. Cracking in water vapor is controlled by hydrogen embrittlement, with surface films having little influence on cyclic plasticity.
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Relative dispersion of clustered drifters in a small micro-tidal estuary
NASA Astrophysics Data System (ADS)
Suara, Kabir; Chanson, Hubert; Borgas, Michael; Brown, Richard J.
2017-07-01
Small tide-dominated estuaries are affected by large scale flow structures which combine with the underlying bed generated smaller scale turbulence to significantly increase the magnitude of horizontal diffusivity. Field estimates of horizontal diffusivity and its associated scales are however rare due to limitations in instrumentation. Data from multiple deployments of low and high resolution clusters of GPS-drifters are used to examine the dynamics of a surface flow in a small micro-tidal estuary through relative dispersion analyses. During the field study, cluster diffusivity, which combines both large- and small-scale processes ranged between, 0.01 and 3.01 m2/s for spreading clusters and, -0.06 and -4.2 m2/s for contracting clusters. Pair-particle dispersion, Dp2, was scale dependent and grew as Dp2 ∼ t1.83 in streamwise and Dp2 ∼ t0.8 in cross-stream directions. At small separation scale, pair-particle (d < 0.5 m) relative diffusivity followed the Richardson's 4/3 power law and became weaker as separation scale increases. Pair-particle diffusivity was described as Kp ∼ d1.01 and Kp ∼ d0.85 in the streamwise and cross-stream directions, respectively for separation scales ranging from 0.1 to 10 m. Two methods were used to identify the mechanism responsible for dispersion within the channel. The results clearly revealed the importance of strain fields (stretching and shearing) in the spreading of particles within a small micro-tidal channel. The work provided input for modelling dispersion of passive particle in shallow micro-tidal estuaries where these were not previously experimentally studied.
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Development of lithium powder based anode with conductive carbon materials for lithium batteries
NASA Astrophysics Data System (ADS)
Park, Man Su
Current lithium ion battery with a graphite anode shows stable cycle performance and safety. However, the lithium ion battery still has the limitation of having a low energy density caused by the application of lithium intercalated cathode and anode with low energy density. The combination of high capacity non-lithiated cathode such as sulfur and carbon and lithium metal anode has been researched for a long time to maximize battery's energy density. However, this cell design also has a lot of technical challenges to be solved. Among the challenges, lithium anode's problem related to lithium dendrite growth causing internal short and low cycling efficiency is very serious. Thus, extensive research on lithium metal anode has been performed to solve the lithium dendrite problem and a major part of the research has been focused on the control of the interface between lithium and electrolyte. However, research on lithium anode design itself has not been much conducted. In this research, innovative lithium anode design for less dendrite growth and higher cycling efficiency was suggested. Literature review for the lithium dendrite growth mechanism was conducted in Chapter 2 to develop electrode design concept and the importance of the current density on lithium dendrite growth was also found in the literatures. The preliminary test was conducted to verify the developed electrode concept by using lithium powder based anode (LIP) with conductive carbon materials and the results showed that lithium dendrite growth could be suppressed in this electrode design due to its increased electrochemical surface area and lithium deposition sites during lithium deposition. The electrode design suggested in Chapter 2 was extensively studied in Chapter 3 in terms of lithium dendrite growth morphology, lithium cycling efficiency and full cell cycling performance. This electrode concept was further developed to maximize the electrode's performance and safety in Chapter 4. In this new electrode design, electrically isolated super-p carbon agglomerates in the electrode were effectively reduced by adding conductive fillers such as graphite and further improvement in cycling performance and safety was also verified. The lithium powder based anode with conductive carbon materials is very useful concept as an alternative anode design instead of pure lithium metal anode for high energy density lithium batteries such as lithium-sulfur and lithium-air. As shown in Chapter 5, this electrode concept can be further developed and optimized through the application of new carbon materials and structure.
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Critical behavior of the contact process on small-world networks
NASA Astrophysics Data System (ADS)
Ferreira, Ronan S.; Ferreira, Silvio C.
2013-11-01
We investigate the role of clustering on the critical behavior of the contact process (CP) on small-world networks using the Watts-Strogatz (WS) network model with an edge rewiring probability p. The critical point is well predicted by a homogeneous cluster-approximation for the limit of vanishing clustering ( p → 1). The critical exponents and dimensionless moment ratios of the CP are in agreement with those predicted by the mean-field theory for any p > 0. This independence on the network clustering shows that the small-world property is a sufficient condition for the mean-field theory to correctly predict the universality of the model. Moreover, we compare the CP dynamics on WS networks with rewiring probability p = 1 and random regular networks and show that the weak heterogeneity of the WS network slightly changes the critical point but does not alter other critical quantities of the model.
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Braschel, Melissa C; Svec, Ivana; Darlington, Gerarda A; Donner, Allan
2016-04-01
Many investigators rely on previously published point estimates of the intraclass correlation coefficient rather than on their associated confidence intervals to determine the required size of a newly planned cluster randomized trial. Although confidence interval methods for the intraclass correlation coefficient that can be applied to community-based trials have been developed for a continuous outcome variable, fewer methods exist for a binary outcome variable. The aim of this study is to evaluate confidence interval methods for the intraclass correlation coefficient applied to binary outcomes in community intervention trials enrolling a small number of large clusters. Existing methods for confidence interval construction are examined and compared to a new ad hoc approach based on dividing clusters into a large number of smaller sub-clusters and subsequently applying existing methods to the resulting data. Monte Carlo simulation is used to assess the width and coverage of confidence intervals for the intraclass correlation coefficient based on Smith's large sample approximation of the standard error of the one-way analysis of variance estimator, an inverted modified Wald test for the Fleiss-Cuzick estimator, and intervals constructed using a bootstrap-t applied to a variance-stabilizing transformation of the intraclass correlation coefficient estimate. In addition, a new approach is applied in which clusters are randomly divided into a large number of smaller sub-clusters with the same methods applied to these data (with the exception of the bootstrap-t interval, which assumes large cluster sizes). These methods are also applied to a cluster randomized trial on adolescent tobacco use for illustration. When applied to a binary outcome variable in a small number of large clusters, existing confidence interval methods for the intraclass correlation coefficient provide poor coverage. However, confidence intervals constructed using the new approach combined with Smith's method provide nominal or close to nominal coverage when the intraclass correlation coefficient is small (<0.05), as is the case in most community intervention trials. This study concludes that when a binary outcome variable is measured in a small number of large clusters, confidence intervals for the intraclass correlation coefficient may be constructed by dividing existing clusters into sub-clusters (e.g. groups of 5) and using Smith's method. The resulting confidence intervals provide nominal or close to nominal coverage across a wide range of parameters when the intraclass correlation coefficient is small (<0.05). Application of this method should provide investigators with a better understanding of the uncertainty associated with a point estimator of the intraclass correlation coefficient used for determining the sample size needed for a newly designed community-based trial. © The Author(s) 2015.
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Dating star clusters in the Small Magellanic Cloud by means of integrated spectra
NASA Astrophysics Data System (ADS)
Ahumada, A. V.; Clariá, J. J.; Bica, E.; Dutra, C. M.
2002-10-01
In this study flux-calibrated integrated spectra in the range (3600-6800) Å are presented for 16 concentrated star clusters in the Small Magellanic Cloud (SMC), approximately half of which constitute unstudied objects. We have estimated ages and foreground interstellar reddening values from the comparison of the line strengths and continuum distribution of the cluster spectra with those of template cluster spectra with known parameters. Most of the sample clusters are young blue clusters (6-50 Myr), while L 28, NGC 643 and L 114 are found to be intermediate-age clusters (1-6 Gyr). One well known SMC cluster (NGC 416) was observed for comparison purposes. The sample includes clusters in the surroundings and main body of the SMC, and the derived foreground reddening values are in the range 0.00 <= E(B-V) <= 0.15. The present data also make up a cluster spectral library at SMC metallicity. Based on observations made at Complejo Astronómico El Leoncito, which is operated under agreement between the Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina and the National Universities of La Plata, Córdoba and San Juan, Argentina.
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Method of recycling lithium borate to lithium borohydride through methyl borate
Filby, Evan E.
1977-01-01
This invention provides a method for the recycling of lithium borate to lithium borohydride which can be reacted with water to generate hydrogen for utilization as a fuel. The lithium borate by-product of the hydrogen generation reaction is reacted with hydrogen chloride and water to produce boric acid and lithium chloride. The boric acid and lithium chloride are converted to lithium borohydride through a methyl borate intermediate to complete the recycle scheme.
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Investigation of lithium PFC surface characteristics and low recycling at LTX/LTX-Beta
NASA Astrophysics Data System (ADS)
Maan, Anurag; Kaita, Robert; Elliott, Drew; Boyle, Dennis; Majeski, Richard; Donovan, David; Buzi, Luxherta; Koel, Bruce E.; Biewer, Theodore M.
2017-10-01
Lithium coatings on high-Z PFCs at LTX have led to improved plasma performance. The initial hypothesis was that lithium retains hydrogen by forming lithium hydride and thereby enabling low recycling in LTX. However, recent in-vacuo measurements indicate the presence of lithium oxide in deposited lithium coatings. Improved plasma performance continued to be observed in the presence of lithium oxide. These observations raise questions like what is the nature of the lithium oxide surface, whether the PFC is an amorphous mixture of lithium and lithium oxide or something more ordered like a lithium oxide layer growing on top of lithium, and whether lithium oxide is responsible for any retention of hydrogen from the plasma. To investigate the mechanism by which the LTX PFC might be responsible for low recycling, we discuss the results of deuterium retention measurements using NRA/RBS and sample characterization using high resolution XPS (HR-XPS) in bulk lithium samples. Baseline HR-XPS scans indicate the presence of Lithium Oxide on sputtered lithium samples. Status of related planned experiments at LTX- β will also be discussed. This work was supported by the US. D.O.E. contract DE-AC05-00OR22725 and DE-AC02-09CH11466. BEK acknowledges support of this work by the U.S. DOE, Office of Science/FES under Award Number DE-SC0012890.
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Effect of Self-Assembly of Fullerene Nano-Particles on Lipid Membrane
Zhang, Saiqun; Mu, Yuguang; Zhang, John Z. H.; Xu, Weixin
2013-01-01
Carbon nanoparticles can penetrate the cell membrane and cause cytotoxicity. The diffusion feature and translocation free energy of fullerene through lipid membranes is well reported. However, the knowledge on self-assembly of fullerenes and resulting effects on lipid membrane is poorly addressed. In this work, the self-assembly of fullerene nanoparticles and the resulting influence on the dioleoylphosphtidylcholine (DOPC) model membrane were studied by using all-atom molecular dynamics simulations with explicit solvents. Our simulation results confirm that gathered small fullerene cluster can invade lipid membrane. Simulations show two pathways: 1) assembly process is completely finished before penetration; 2) assembly process coincides with penetration. Simulation results also demonstrate that in the membrane interior, fullerene clusters tend to stay at the position which is 1.0 nm away from the membrane center. In addition, the diverse microscopic stacking mode (i.e., equilateral triangle, tetrahedral pentahedral, trigonal bipyramid and octahedron) of these small fullerene clusters are well characterized. Thus our simulations provide a detailed high-resolution characterization of the microscopic structures of the small fullerene clusters. Further, we found the gathered small fullerene clusters have significant adverse disturbances to the local structure of the membrane, but no great influence on the global integrity of the lipid membrane, which suggests the prerequisite of high-content fullerene for cytotoxicity. PMID:24204827
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The origin of low mass particles within and beyond the dust coma envelopes of Comet Halley
NASA Technical Reports Server (NTRS)
Simpson, J. A.; Rabinowitz, D.; Tuzzolino, A. J.; Ksanfomality, L. V.; Sagdeev, R. Z.
1987-01-01
Measurements from the Dust Counter and Mass Analyzer (DUCMA) instruments on VEGA-1 and -2 revealed unexpected fluxes of low mass (up to 10 to the minus 13th power g) dust particles at very great distances from the nucleus (300,000 to 600,000 km). These particles are detected in clusters (10 sec duration), preceded and followed by relatively long time intervals during which no dust is detected. This cluster phenomenon also occurs inside the envelope boundaries. Clusters of low mass particles are intermixed with the overall dust distribution throughout the coma. The clusters account for many of the short-term small-scale intensity enhancements previously ascribed to microjets in the coma. The origin of these clusters appears to be emission from the nucleus of large conglomerates which disintegrate in the coma to yield clusters of discrete, small particles continuing outward to the distant coma.
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Equilibrium geometries, electronic and magnetic properties of small AunNi- (n = 1-9) clusters
NASA Astrophysics Data System (ADS)
Tang, Cui-Ming; Chen, Xiao-Xu; Yang, Xiang-Dong
2014-05-01
Geometrical, electronic and magnetic properties of small AunNi- (n = 1-9) clusters have been investigated based on density functional theory (DFT) at PW91P86 level. An extensive structural search shows that the relative stable structures of AunNi- (n = 1-9) clusters adopt 2D structure for n = 1-5, 7 and 3D structure for n = 6, 8-9. And the substitution of a Ni atom for an Au atom in the Au-n+1 cluster obviously changes the structure of the host cluster. Moreover, an odd-even alternation phenomenon has been found for HOMO-LUMO energy gaps, indicating that the relative stable structures of the AunNi- clusters with odd-numbered gold atoms have a higher relative stability. Finally, the natural population analysis (NPA) and the vertical detachment energies (VDE) are studied, respectively. The theoretical values of VDE are reported for the first time to our best knowledge.
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Thermodynamic properties of small aggregates of rare-gas atoms
NASA Technical Reports Server (NTRS)
Etters, R. D.; Kaelberer, J.
1975-01-01
The present work reports on the equilibrium thermodynamic properties of small clusters of xenon, krypton, and argon atoms, determined from a biased random-walk Monte Carlo procedure. Cluster sizes ranged from 3 to 13 atoms. Each cluster was found to have an abrupt liquid-gas phase transition at a temperature much less than for the bulk material. An abrupt solid-liquid transition is observed for thirteen- and eleven-particle clusters. For cluster sizes smaller than 11, a gradual transition from solid to liquid occurred over a fairly broad range of temperatures. Distribution of number of bond lengths as a function of bond length was calculated for several systems at various temperatures. The effects of box boundary conditions are discussed. Results show the importance of a correct description of boundary conditions. A surprising result is the slow rate at which system properties approach bulk behavior as cluster size is increased.
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Jaskula, B.W.
2011-01-01
In 2010, lithium consumption in the United States was estimated to have been about 1 kt (1,100 st) of contained lithium, a 23-percent decrease from 2009. The United States was estimated to be the fourth largest consumer of lithium. It remained the leading importer of lithium carbonate and the leading producer of value-added lithium materials. Only one company, Chemetall Foote Corp. (a subsidiary of Chemetall GmbH of Germany), produced lithium compounds from domestic resources. In 2010, world lithium consumption was estimated to have been about 21 kt (22,000 st) of lithium contained in minerals and compounds, a 12-percent increase from 2009.
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Jaskula, B.W.
2010-01-01
In 2009, lithium consumption in the United States was estimated to have been about 1.2 kt (1,300 st) of contained lithium, a 40-percent decrease from 2008. The United States was estimated to be the fourth largest consumer of lithium, and remained the leading importer of lithium carbonate and the leading producer of value-added lithium materials. Only one company, Chemetall Foote Corp. (a subsidiary of Chemetall GmbH of Germany), produced lithium compounds from domestic resources. In 2009, world lithium consumption was estimated to have been about 18.7 kt (20,600 st) of lithium contained in minerals and compounds.
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Electrochemical Energy Storage Materials
2012-07-01
of porous polypropylene membrane (Celgrad® 2400) separators soaked in a liquid electrolyte solution containing 1.0 M lithium hexafluorophosphate ... Lithium Li-ion Lithium ion LiO2 Lithium Dioxide LiOx Lithium Oxide (non stoichiometric) LiPF6 lithium hexafluorophosphate LT-ALD Low Temperature...Nanostructured Battery Architectures, Nanostructured Lithium Ion Batteries 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT: SAR 18. NUMBER OF
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APPARATUS FOR THE PRODUCTION OF LITHIUM METAL
Baker, P.S.; Duncan, F.R.; Greene, H.B.
1961-08-22
Methods and apparatus for the production of high-purity lithium from lithium halides are described. The apparatus is provided for continuously contacting a molten lithium halide with molten barium, thereby forming lithium metal and a barium halide, establishing separate layers of these reaction products and unreacted barium and lithium halide, and continuously withdrawing lithium and barium halide from the reaction zone. (AEC)
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49 CFR 173.185 - Lithium cells and batteries.
Code of Federal Regulations, 2014 CFR
2014-10-01
... 20 Wh for a lithium ion cell or 100 Wh for a lithium ion battery. After December 31, 2015, each lithium ion battery subject to this provision must be marked with the Watt-hour rating on the outside case... cell and 25 g for a lithium metal battery and 60 Wh for a lithium ion cell or 300 Wh for a lithium ion...
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On the reasons for low sulphur utilization in the lithium-sulphur batteries
NASA Astrophysics Data System (ADS)
Kolosnitsyn, V. S.; Kuzmina, E. V.; Karaseva, E. V.
2015-01-01
This work is to study the reasons for the relatively low efficiency of sulphur reduction (about 75%) in lithium-sulphur batteries. The two main reasons for that are suggested to be: the relatively low electrochemical activity of low order lithium polysulphides and blocking of the carbon framework of the sulphur electrode by insoluble products of electrochemical reactions - sulphur and lithium sulphide. The electrochemical activity of lithium polysulphides with different composition (Li2Sn, n = 2-6) has been studied in 1 M solutions of CF3SO3Li in sulfolane. It is shown that lithium polysulphides including lithium disulphide are able to electrochemically reduce with efficiency close to 100%. The electrochemical activity of lithium polysulphides decreases with the order. The order of lithium polysulphides affects the value of voltage of discharge plateaus but not the efficiency of sulphur reducing in the lithium polysulphides species. The relatively low efficiency of sulphur reduction in the lithium-sulphur batteries is more likely caused by blocking of carbon particles in the sulphur electrode by insoluble products of electrochemical reactions (sulphur and lithium sulphide). This prevents the electrochemical reduction of low order lithium polysulphides and especially lithium disulphide.
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Lithium insertion in carbonaceous materials containing silicon
NASA Astrophysics Data System (ADS)
Wilson, Alfred Macdonald
Three different series of silicon-containing carbonaceous materials were synthesized for use as anodes in lithium ion cells. Disordered (or pregraphitic) carbons containing nanodispersed silicon were prepared by the chemical vapour deposition (CVD) of various chlorosilanes (SiClsb4, (CHsb3)sb2Clsb2Si, and (CHsb3)sb3ClSi) with benzene in two different apparatuses. Silicon oxycarbide glasses were synthesized by the pyrolysis of over 50 silicon-containing polymers at various temperatures, although the principal materials in the study were prepared at 1000sp°C. Finally, materials which we believe to be similar to disordered carbons containing nanodispersed silicon were prepared by the pyrolysis of various blends of pitches with polysilanes. Powder X-ray diffraction was used to learn about the structure of all the materials made. Thermal gravimetric analysis was used to determine the silicon content in the CVD materials and, when coupled to a residual gas analyzer, to study the decomposition process of the polymers. Near edge X-ray absorption spectroscopy measurements of the silicon L- and K-edges of CVD materials and the silicon K-edges of silicon oxycarbides were used to learn about local chemical environments of the silicon atoms. Lithium metal electrochemical test cells of the silicon-containing CVD materials showed larger capacities (up to 500 mAh/g) than pure carbons prepared in the same way (˜300 mAh/g). The additional capacity was observed to be centered near 0.4 V on charge, the average voltage observed for the removal of lithium from a silicon-lithium alloy. Chemical analysis showed that the stoichiometries of materials made by polymer pyrolysis were distributed over a well-defined region in the Si-O-C Gibbs phase diagram. An interesting series of materials is found near the line in the Si-O-C Gibbs triangle connecting carbon to SiOsb{1.3}. Lithium metal electrochemical test cells made using all the silicon oxycarbides synthesized showed that a stoichiometry of about Sisb{.25}Csb{.45}Osb{.30} gave the maximum reversible capacity (about 900 mAh/g). However, materials near this stoichiometry exhibit large irreversible capacities (>350 mAh/g) and significant hysteresis (the voltage difference between charge and discharge) in the voltage profile (˜0.8 V). In an attempt to reduce the oxygen content in one of the silicon oxycarbide glasses, a sample was washed in a dilute solution of hydrofluoric acid (HF) for times ranging from 2 minutes to 24 hours. The material lost, at most, 40 percent of its initial mass, although there was only a small change in its stoichiometry. In addition to the techniques mentioned above, small angle X-ray scattering and BET surface area measurements were used to study the microscopic pore network that was created by the HF washing. Lithium metal electrochemical test cells made using the product of pyrolysing pitch-polysilane blends showed that the capacity increased with silicon content from 340 mAh/g for pure carbon to a maximum of 600 mAh/g for samples with about 15 atomic % silicon (Sisb{.14}Osb{.09}Csb{.77}). The capacity then decreased to near zero as the composition approached SiC. These materials contain oxygen which is correlated to irreversible capacity loss. (Abstract shortened by UMI.)
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The Low-Recycling Lithium Boundary and Implications for Plasma Transport
DOE Office of Scientific and Technical Information (OSTI.GOV)
Granstedt, Erik Michael
Pumping of incident hydrogen and impurity ions by lithium enables control of the particle inventory and fueling profile in magnetic-confined plasmas, and may raise the plasma temperature near the wall. As a result, the density gradient is expected to contribute substantially to the free-energy, affecting particle and thermal transport from micro-turbulence which is typically the dominant transport mechanism in high-temperature fusion experiments. Transport in gyrokinetic simulations of density-gradient-dominated profiles is characterized by a small linear critical gradient, large particle flux, and preferential diffusion of cold particles. As a result, the heat flux is below 5/2 or even 3/2 times themore » particle flux, usually assumed to be the minimum for convection. While surprising, this result is consistent with increasing entropy. Coupled TEM-ITG (ion-temperature- gradient) simulations using ηe = ηi find η = ∇T /∇n∼0.8 maximizes the linear critical pressure gradient, which suggests that experiments operating near marginal ITG stability with larger η would increase the linear critical pressure gradient by transferring free-energy from the temperature gradient to the density gradient. Simulations were performed with profiles predicted for the Lithium Tokamak Experiment (LTX) if ion thermal transport was neoclassical, while electron thermal transport and particle transport were a fixed ratio above the neoclassical level. A robust TEM instability was found for the outer half radius, while the ITG was found to be driven unstable as well during gas puff fueling. This suggests that TEM transport will be an important transport mechanism in high-temperature low-recycling fusion experiments, and in the absence of stabilizing mechanisms, may dominate over neoclassical transport. A diagnostic suite has been developed to measure hydrogen and impurity emission in LTX in order to determine the lower bound on recycling that can be achieved in a small tokamak using solid lithium coatings, assess its dependence on the operating condition of the lithium surface, and evaluate its impact on the discharge. Coatings on the close-fitting stainless-steel substrate produce a significant reduction in recyling, so that the effective particle confinement times are as low as 1 ms. Measurements of particle inventory in the plasma and hydrogen Lyman-α emission indicate that hydrogen recycling at the surface increases as subsequent discharges are performed; nevertheless, strong pumping of hydrogen is observed even after almost double the cumulative fueling is applied that should saturate the lithium coating to the penetration depth of hydrogen ions. Probe measurements show that when external fueling is terminated, the scrape-off-layer of discharges with fresh coatings decays to lower density and rises to higher electron temperature than for discharges with a partially-passivated surface, consistent with reduced edge cooling from recycled particles. Near the end of the discharge, higher plasma current correlates with reduced τp* and hydrogen emission, suggesting that discharges with fresh coatings achieve higher electron temperature in the core. A novel approach using neutral modeling was developed for the inverse problem of determining the distribution of recycled particle flux from PFC surfaces given a large number of emission measurements, revealing that extremely low levels of recycling (Rcore∼0.6 and Rplate∼0.8) have been achieved with solid lithium coatings. Together with impurity emission measurements, modeling suggests that during periods of particularly low electron density, influx of impurities from the walls contributes substantially to the global particle balance.« less
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High conducting oxide--sulfide composite lithium superionic conductor
Liang, Chengdu; Rangasamy, Ezhiylmurugan; Dudney, Nancy J.; Keum, Jong Kahk; Rondinone, Adam Justin
2017-01-17
A solid electrolyte for a lithium-sulfur battery includes particles of a lithium ion conducting oxide composition embedded within a lithium ion conducting sulfide composition. The lithium ion conducting oxide composition can be Li.sub.7La.sub.3Zr.sub.2O.sub.12 (LLZO). The lithium ion conducting sulfide composition can be .beta.-Li.sub.3PS.sub.4 (LPS). A lithium ion battery and a method of making a solid electrolyte for a lithium ion battery are also disclosed.
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NASA Astrophysics Data System (ADS)
Li, Er-Tao; Li, Zhi-Hong; Yan, Sheng-Quan; Su, Jun; Guo, Bing; Li, Yun-Ju; Wang, You-Bao; Lian, Gang; Zeng, Sheng; Chen, Si-Zhe; Ma, Shao-Bo; Li, Xiang-Qing; He, Cao; Sun, Hui-Bin; Liu, Wei-Ping
2018-04-01
In the standard Big Bang nucleosynthesis (SBBN) model, the lithium puzzle has attracted intense interest over the past few decades, but still has not been solved. Conventionally, the approach is to include more reactions flowing into or out of lithium, and study the potential effects of those reactions which were not previously considered. 7Be(d, 3He)6Li is a reaction that not only produces 6Li but also destroys 7Be, which decays to 7Li, thereby affecting 7Li indirectly. Therefore, this reaction could alleviate the lithium discrepancy if its reaction rate is sufficiently high. However, there is not much information available about the 7Be(d, 3He)6Li reaction rate. In this work, the angular distributions of the 7Be(d, 3He)6Li reaction are measured at the center of mass energies E cm = 4.0 MeV and 6.7 MeV with secondary 7Be beams for the first time. The excitation function of the 7Be(d, 3He)6Li reaction is first calculated with the computer code TALYS and then normalized to the experimental data, then its reaction rate is deduced. A SBBN network calculation is performed to investigate its influence on the 6Li and 7Li abundances. The results show that the 7Be(d, 3He)6Li reaction has a minimal effect on 6Li and 7Li because of its small reaction rate. Therefore, the 7Be(d, 3He)6Li reaction is ruled out by this experiment as a means of alleviating the lithium discrepancy. Supported by National Natural Science Foundation of China (11375269, 11505117, 11490560, 11475264, 11321064), Natural Science Foundation of Guangdong Province (2015A030310012), 973 program of China (2013CB834406) and National key Research and Development Province (2016YFA0400502)
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Lithium-ion battery structure that self-heats at low temperatures
NASA Astrophysics Data System (ADS)
Wang, Chao-Yang; Zhang, Guangsheng; Ge, Shanhai; Xu, Terrence; Ji, Yan; Yang, Xiao-Guang; Leng, Yongjun
2016-01-01
Lithium-ion batteries suffer severe power loss at temperatures below zero degrees Celsius, limiting their use in applications such as electric cars in cold climates and high-altitude drones. The practical consequences of such power loss are the need for larger, more expensive battery packs to perform engine cold cranking, slow charging in cold weather, restricted regenerative braking, and reduction of vehicle cruise range by as much as 40 per cent. Previous attempts to improve the low-temperature performance of lithium-ion batteries have focused on developing additives to improve the low-temperature behaviour of electrolytes, and on externally heating and insulating the cells. Here we report a lithium-ion battery structure, the ‘all-climate battery’ cell, that heats itself up from below zero degrees Celsius without requiring external heating devices or electrolyte additives. The self-heating mechanism creates an electrochemical interface that is favourable for high discharge/charge power. We show that the internal warm-up of such a cell to zero degrees Celsius occurs within 20 seconds at minus 20 degrees Celsius and within 30 seconds at minus 30 degrees Celsius, consuming only 3.8 per cent and 5.5 per cent of cell capacity, respectively. The self-heated all-climate battery cell yields a discharge/regeneration power of 1,061/1,425 watts per kilogram at a 50 per cent state of charge and at minus 30 degrees Celsius, delivering 6.4-12.3 times the power of state-of-the-art lithium-ion cells. We expect the all-climate battery to enable engine stop-start technology capable of saving 5-10 per cent of the fuel for 80 million new vehicles manufactured every year. Given that only a small fraction of the battery energy is used for self-heating, we envisage that the all-climate battery cell may also prove useful for plug-in electric vehicles, robotics and space exploration applications.
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Lithium-ion battery structure that self-heats at low temperatures.
Wang, Chao-Yang; Zhang, Guangsheng; Ge, Shanhai; Xu, Terrence; Ji, Yan; Yang, Xiao-Guang; Leng, Yongjun
2016-01-28
Lithium-ion batteries suffer severe power loss at temperatures below zero degrees Celsius, limiting their use in applications such as electric cars in cold climates and high-altitude drones. The practical consequences of such power loss are the need for larger, more expensive battery packs to perform engine cold cranking, slow charging in cold weather, restricted regenerative braking, and reduction of vehicle cruise range by as much as 40 per cent. Previous attempts to improve the low-temperature performance of lithium-ion batteries have focused on developing additives to improve the low-temperature behaviour of electrolytes, and on externally heating and insulating the cells. Here we report a lithium-ion battery structure, the 'all-climate battery' cell, that heats itself up from below zero degrees Celsius without requiring external heating devices or electrolyte additives. The self-heating mechanism creates an electrochemical interface that is favourable for high discharge/charge power. We show that the internal warm-up of such a cell to zero degrees Celsius occurs within 20 seconds at minus 20 degrees Celsius and within 30 seconds at minus 30 degrees Celsius, consuming only 3.8 per cent and 5.5 per cent of cell capacity, respectively. The self-heated all-climate battery cell yields a discharge/regeneration power of 1,061/1,425 watts per kilogram at a 50 per cent state of charge and at minus 30 degrees Celsius, delivering 6.4-12.3 times the power of state-of-the-art lithium-ion cells. We expect the all-climate battery to enable engine stop-start technology capable of saving 5-10 per cent of the fuel for 80 million new vehicles manufactured every year. Given that only a small fraction of the battery energy is used for self-heating, we envisage that the all-climate battery cell may also prove useful for plug-in electric vehicles, robotics and space exploration applications.
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Spreading of lithium on a stainless steel surface at room temperature
DOE Office of Scientific and Technical Information (OSTI.GOV)
Skinner, C. H.; Capece, A. M.; Roszell, J. P.
Lithium conditioned plasma facing surfaces have lowered recycling and enhanced plasma performance on many fusion devices and liquid lithium plasma facing components are under consideration for future machines. A key factor in the performance of liquid lithium components is the wetting by lithium of its container. We have observed the surface spreading of lithium from a mm-scale particle to adjacent stainless steel surfaces using a scanning Auger microprobe that has elemental discrimination. Here, the spreading of lithium occurred at room temperature (when lithium is a solid) from one location at a speed of 0.62 μm/day under ultrahigh vacuum conditions. Separatemore » experiments using temperature programmed desorption (TPD) investigated bonding energetics between monolayer-scale films of lithium and stainless steel. While multilayer lithium desorption from stainless steel begins to occur just above 500 K (E des = 1.54 eV), sub-monolayer Li desorption occurred in a TPD peak at 942 K (E des = 2.52 eV) indicating more energetically favorable lithium-stainless steel bonding (in the absence of an oxidation layer) than lithium lithium bonding.« less
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Spreading of lithium on a stainless steel surface at room temperature
Skinner, C. H.; Capece, A. M.; Roszell, J. P.; ...
2015-11-10
Lithium conditioned plasma facing surfaces have lowered recycling and enhanced plasma performance on many fusion devices and liquid lithium plasma facing components are under consideration for future machines. A key factor in the performance of liquid lithium components is the wetting by lithium of its container. We have observed the surface spreading of lithium from a mm-scale particle to adjacent stainless steel surfaces using a scanning Auger microprobe that has elemental discrimination. Here, the spreading of lithium occurred at room temperature (when lithium is a solid) from one location at a speed of 0.62 μm/day under ultrahigh vacuum conditions. Separatemore » experiments using temperature programmed desorption (TPD) investigated bonding energetics between monolayer-scale films of lithium and stainless steel. While multilayer lithium desorption from stainless steel begins to occur just above 500 K (E des = 1.54 eV), sub-monolayer Li desorption occurred in a TPD peak at 942 K (E des = 2.52 eV) indicating more energetically favorable lithium-stainless steel bonding (in the absence of an oxidation layer) than lithium lithium bonding.« less
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Spreading of lithium on a stainless steel surface at room temperature
NASA Astrophysics Data System (ADS)
Skinner, C. H.; Capece, A. M.; Roszell, J. P.; Koel, B. E.
2016-01-01
Lithium conditioned plasma facing surfaces have lowered recycling and enhanced plasma performance on many fusion devices and liquid lithium plasma facing components are under consideration for future machines. A key factor in the performance of liquid lithium components is the wetting by lithium of its container. We have observed the surface spreading of lithium from a mm-scale particle to adjacent stainless steel surfaces using a scanning Auger microprobe that has elemental discrimination. The spreading of lithium occurred at room temperature (when lithium is a solid) from one location at a speed of 0.62 μm/day under ultrahigh vacuum conditions. Separate experiments using temperature programmed desorption (TPD) investigated bonding energetics between monolayer-scale films of lithium and stainless steel. While multilayer lithium desorption from stainless steel begins to occur just above 500 K (Edes = 1.54 eV), sub-monolayer Li desorption occurred in a TPD peak at 942 K (Edes = 2.52 eV) indicating more energetically favorable lithium-stainless steel bonding (in the absence of an oxidation layer) than lithium-lithium bonding.
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Suppression of dendritic lithium growth in lithium metal-based batteries.
Li, Linlin; Li, Siyuan; Lu, Yingying
2018-06-19
Lithium metal-based batteries offer promising prospects as alternatives to today's lithium-ion batteries, due to their ultra-high energy density. Unfortunately, the application of lithium metal is full of challenges and has puzzled researchers for more than 40 years. In this feature article, we describe the history of the development of lithium metal batteries and their existing key challenges, which include non-uniform electrodeposition, volume expansion, high reactivity of the lithium metal/unstable solid electrolyte interphase (SEI), and the shuttling of active cathode materials. Then, we focus on the growth mechanisms of uneven lithium electrodeposition and extend the discussion to the approaches to inhibit lithium dendrites. Finally, we discuss future directions that are expected to drive progress in the development of lithium metal batteries.
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NASA Astrophysics Data System (ADS)
Zhao, Cunyu; Liu, Lianjun; Zhao, Huilei; Krall, Andy; Wen, Zhenhai; Chen, Junhong; Hurley, Patrick; Jiang, Junwei; Li, Ying
2013-12-01
Sulfur has received increasing attention as a cathode material for lithium-sulfur (Li-S) batteries due to its high theoretical specific capacity. However, the commercialization of Li-S batteries is limited by the challenges of poor electrical conductivity of sulfur, dissolution of the polysulfide intermediates into the electrolyte, and volume expansion of sulfur during cycling. Herein, we report the fabrication of novel-structured porous carbon microspheres with a controllable multi-modal pore size distribution, i.e., a combination of interconnected micropores, mesopores and macropores. Cathodes made of sulfur infiltrated in such a hierarchical carbon framework provide several advantages: (1) a continuous and high surface area carbon network for enhanced electrical conductivity and high sulfur loading; (2) macropores and large mesopores bridged by small mesopores to provide good electrolyte accessibility and fast Li ion transport and to accommodate volume expansion of sulfur; and (3) small mesopores and micropores to improve carbon/sulfur interaction and to help trap polysulfides. An initial discharge capacity at 1278 mA h g-1 and capacity retention at 70.7% (904 mA h g-1) after 100 cycles at a high rate (1 C) were achieved. The material fabrication process is relatively simple and easily scalable.Sulfur has received increasing attention as a cathode material for lithium-sulfur (Li-S) batteries due to its high theoretical specific capacity. However, the commercialization of Li-S batteries is limited by the challenges of poor electrical conductivity of sulfur, dissolution of the polysulfide intermediates into the electrolyte, and volume expansion of sulfur during cycling. Herein, we report the fabrication of novel-structured porous carbon microspheres with a controllable multi-modal pore size distribution, i.e., a combination of interconnected micropores, mesopores and macropores. Cathodes made of sulfur infiltrated in such a hierarchical carbon framework provide several advantages: (1) a continuous and high surface area carbon network for enhanced electrical conductivity and high sulfur loading; (2) macropores and large mesopores bridged by small mesopores to provide good electrolyte accessibility and fast Li ion transport and to accommodate volume expansion of sulfur; and (3) small mesopores and micropores to improve carbon/sulfur interaction and to help trap polysulfides. An initial discharge capacity at 1278 mA h g-1 and capacity retention at 70.7% (904 mA h g-1) after 100 cycles at a high rate (1 C) were achieved. The material fabrication process is relatively simple and easily scalable. Electronic supplementary information (ESI) available: Preparation process scheme; X-ray mapping images and EDX analysis for the surface of PMC/S-40; X-ray mapping images for the cross-section of PMC/S-40; thermogravimetric analysis (TGA) of PMC/S samples; T-plot results for PMC sample; and electrochemical measurements of lithium-sulfur batteries using PMC/S as cathode materials. See DOI: 10.1039/c3nr04532c
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Mehta, Virat; Ikeda, Yoshihiro; Takano, Ken
2015-05-18
We analyze the magnetic cluster size (MCS) and magnetic cluster size distribution (MCSD) in a variety of perpendicular magnetic recording (PMR) media designs using resonant small angle x-ray scattering at the Co L{sub 3} absorption edge. The different PMR media flavors considered here vary in grain size between 7.5 and 9.5 nm as well as in lateral inter-granular exchange strength, which is controlled via the segregant amount. While for high inter-granular exchange, the MCS increases rapidly for grain sizes below 8.5 nm, we show that for increased amount of segregant with less exchange the MCS remains relatively small, even for grain sizesmore » of 7.5 and 8 nm. However, the MCSD still increases sharply when shrinking grains from 8 to 7.5 nm. We show evidence that recording performance such as signal-to-noise-ratio on the spin stand correlates well with the product of magnetic cluster size and magnetic cluster size distribution.« less
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A DFT study of the stability of SIAs and small SIA clusters in the vicinity of solute atoms in Fe
NASA Astrophysics Data System (ADS)
Becquart, C. S.; Ngayam Happy, R.; Olsson, P.; Domain, C.
2018-03-01
The energetics, defect volume and magnetic properties of single SIAs and small SIA clusters up to size 6 have been calculated by DFT for different configurations like the parallel 〈110〉 dumbbell, the non parallel 〈110〉 dumbbell and the C15 structure. The most stable configurations of each type have been further analyzed to determine the influence on their stability of various solute atoms (Ti, V, Cr, Mn, Co, Ni, Cu, Mo, W, Pd, Al, Si, P), relevant for steels used under irradiation. The results show that the presence of solute atoms does not change the relative stability order among SIA clusters. The small SIA clusters investigated can bind to both undersized and oversized solutes. Several descriptors have been considered to derive interesting trends from results. It appears that the local atomic volume available for the solute is the main physical quantity governing the binding energy evolution, whatever the solute type (undersized or oversized) and the cluster configuration (size and type).
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75 FR 9147 - Hazardous Materials: Transportation of Lithium Batteries
Federal Register 2010, 2011, 2012, 2013, 2014
2010-03-01
... for lithium metal batteries and lithium ion batteries were adopted into the UN Recommendations. The... regulations were revised to reflect this change. Adopt shipping descriptions for lithium ion batteries including lithium ion polymer batteries (UN3480), lithium ion batteries packed with equipment including...
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Clinical assessment of pacemaker power sources
DOE Office of Scientific and Technical Information (OSTI.GOV)
Bilitch, M.; Parsonnet, V.; Furman, S.
1980-01-01
The development of power sources for cardiac pacemakers has progressed from a 15-year usage of mercury-zinc batteries to widely used and accepted lithium cells. At present, there are about 6 different types of lithium cells incorporated into commercially distributed pacemakers. The authors reviewed experience over a 5-year period with 1711 mercury-zinc, 130 nuclear (P238) and 1912 lithium powered pacemakers. The lithium units have included 698 lithium-iodide, 270 lithium-silver chromate, 135 lithium-thionyl chloride, 31 lithium-lead and 353 lithium-cupric sulfide batteries. 57 of the lithium units have failed (91.2% component failure and 5.3% battery failure). 459 mercury-zinc units failed (25% component failuremore » and 68% battery depletion). The data show that lithium powered pacemaker failures are primarily component, while mercury-zinc failures are primarily battery related. It is concluded that mercury-zinc powered pulse generators are obsolete and that lithium and nuclear (P238) power sources are highly reliable over the 5 years for which data are available. 3 refs.« less
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High performance discharges in the Lithium Tokamak eXperiment with liquid lithium walls
Schmitt, J. C.; Bell, R. E.; Boyle, D. P.; ...
2015-05-15
The first-ever successful operation of a tokamak with a large area (40% of the total plasma surface area) liquid lithium wall has been achieved in the Lithium Tokamak eXperiment (LTX). These results were obtained with a new, electron beam-based lithium evaporation system, which can deposit a lithium coating on the limiting wall of LTX in a five-minute period. Preliminary analyses of diamagnetic and other data for discharges operated with a liquid lithium wall indicate that confinement times increased by 10 x compared to discharges with helium-dispersed solid lithium coatings. Ohmic energy confinement times with fresh lithium walls, solid and liquid,more » exceed several relevant empirical scaling expressions. Spectroscopic analysis of the discharges indicates that oxygen levels in the discharges limited on liquid lithium walls were significantly reduced compared to discharges limited on solid lithium walls. Finally, Tokamak operations with a full liquid lithium wall (85% of the total plasma surface area) have recently started.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Woodman, N.D., E-mail: n.d.woodman@soton.ac.uk; Rees-White, T.C.; Stringfellow, A.M.
2015-04-15
Highlights: • Multiple tracers were applied to saturated MSW to test dual-porosity properties. • Lithium demonstrated to be non-conservative as a tracer. • 260 mm diameter column too small to test transport properties of MSW. • The classical advection-dispersion mode was rejected due to high dispersivity. • Characteristic diffusion times did not vary with the tracer. - Abstract: Two column tests were performed in conditions emulating vertical flow beneath the leachate table in a biologically active landfill to determine dominant transport mechanisms occurring in landfills. An improved understanding of contaminant transport process in wastes is required for developing better predictionsmore » about potential length of the long term aftercare of landfills, currently measured in timescales of centuries. Three tracers (lithium, bromide and deuterium) were used. Lithium did not behave conservatively. Given that lithium has been used extensively for tracing in landfill wastes, the tracer itself and the findings of previous tests which assume that it has behaved conservatively may need revisiting. The smaller column test could not be fitted with continuum models, probably because the volume of waste was below a representative elemental volume. Modelling compared advection-dispersion (AD), dual porosity (DP) and hybrid AD–DP models. Of these models, the DP model was found to be the most suitable. Although there is good evidence to suggest that diffusion is an important transport mechanism, the breakthrough curves of the different tracers did not differ from each other as would be predicted based on the free-water diffusion coefficients. This suggested that solute diffusion in wastes requires further study.« less
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Ericksen, G.E.; Vine, J.D.; Raul, Ballon A.
1978-01-01
Preliminary investigations at Salar de Uyuni and the nearby salars (salt pans) of Coipasa and Empexa in the southern part of the Bolivian Altiplano show the presence of widespread lithium-rich brines. Widely scattered brine samples from Salar de Uyuni, which has an area of about 9000 km2 and is the largest salt pan on earth, show lithium values ranging from 80 to 1500 ppm. High values of 300-700 ppm are most prevalent in an area of about 2500 km2 in the east-central and southeastern part of the salar. A few brine samples in small areas in Coipasa and Empexa Salars have values ranging from 170 to 580 ppm Li. All the brines are essentially saturated with halite and are moderately high in sulfate (5000-15,000 ppm SO4) but low in carbonate (<500 ppm HCO3). Potassium and magnesium values are relatively high, chiefly in the range of 2000-20,000 ppm, and the K Mg ratio is about 1:1. The Li K and Li Mg ratios are relatively constant at about 1:20. The crystalline saline material and brines in these salars are residual from a former large lake, Lago Minchin, that occupied much of the southern Bolivian Altiplano during late Pleistocene time, augmented by saline material carried to the salars by streams since final drying of this lake. Thermal springs associated with rhyolitic volcanic rocks of Quaternary age may have been a major source of the lithium. ?? 1978.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Sandineni, Prashanth; Yaghoobnejad Asl, Hooman; Choudhury, Amitava, E-mail: choudhurya@mst.edu
Highly crystalline sodium and ammonium Jarosites, NaFe{sub 3}(SO{sub 4}){sub 2}(OH){sub 6} and NH{sub 4}Fe{sub 3}(SO{sub 4}){sub 2}(OH){sub 6}, have been synthesized employing hydrothermal synthesis routes. The structures consist of anionic layers of vertex-sharing FeO{sub 6} octahedra and SO{sub 4} tetrahedral units with interlayer space occupied by Na and ammonium ions, respectively. The corner-sharing FeO{sub 6} octahedral units form six and three rings similar to hexagonal tungsten bronze sheets also known as kagomé lattice. These sodium and ammonium Jarosites are thermally stable up to 400 °C and undergo facile electrochemical lithium insertion through the reduction of Fe{sup 3+} to Fe{sup 2+}.more » Galvanostatic charge–discharge indicates that up to 2.25 and 2 lithium ions per formula unit can be inserted at an average voltage of 2.49 and 2.26 V to the sodium and the ammonium Jarosites, respectively, under slow discharge rate of C/50. The cycle-life and experimental achievable capacity show strong dependence on particle sizes and synthesis conditions. A small amount of fluoride substitution improves both achievable capacity and average voltage. - Graphical abstract: Discharge capacity of jarosite phases as a function of particle size and fluoride substitution. - Highlights: • Synthesis of natro- and ammonium Jarosites. • Jarosites as cathodes for lithium ion batteries. • Li-ion electrochemistry of Jarosites. • Mössbauer spectroscopy of Jarosites.« less
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NASA Astrophysics Data System (ADS)
Cussen, Edmund J.; Yip, Thomas W. S.; O'Neill, Gemma; O'Callaghan, Michael P.
2011-02-01
The structures of new phases Li 6CaLa 2Sb 2O 12 and Li 6.4Ca 1.4La 2Sb 2O 12 have been characterised using neutron powder diffraction. Rietveld analyses show that both compounds crystallise in the space group la3¯ d and contain the lithium cations in a complex arrangement with occupational disorder across oxide tetrahedra and distorted oxide octahedra, with considerable positional disorder in the latter. Variable temperature neutron diffraction experiments on Li 6.4Ca 1.4La 2Sb 2O 12 show the structure is largely invariant with only a small variation in the lithium distribution as a function of temperature. Impedance spectroscopy measurements show that the total conductivity of Li 6CaLa 2Sb 2O 12 is several orders of magnitude smaller than related lithium-stuffed garnets with σ=10 -7 S cm -1 at 95 °C and an activation energy of 0.82(3) eV. The transport properties of the conventional garnets Li 3Gd 3Te 2O 12, Li 3Tb 3Te 2O 12, Li 3Er 3Te 2O 12 and Li 3Lu 3Te 2O 12 have been evaluated and consistently show much lower values of conductivity, σ≤4.4×10 -6 S cm -1 at 285 °C and activation energies in the range 0.77(4)≤ Ea/eV≤1.21(3).