Investigation of Ion Transmission Effects on Intact Protein Quantification in a Triple Quadrupole Mass Spectrometer

NASA Astrophysics Data System (ADS)

Wang, Evelyn H.; Appulage, Dananjaya Kalu; McAllister, Erin A.; Schug, Kevin A.

2017-09-01

Recently, direct intact protein quantitation using triple quadrupole mass spectrometry (QqQ-MS) and multiple reaction monitoring (MRM) was demonstrated (J. Am. Soc. Mass Spectrom. 27, 886-896 (2016)). Even though QqQ-MS is known to provide extraordinary detection sensitivity for quantitative analysis, we found that intact proteins exhibited a less than 5% ion transmission from the first quadrupole to the third quadrupole mass analyzer in the presence of zero collision energy (ZCE). With the goal to enhance intact protein quantitation sensitivity, ion scattering effects, proton transfer effects, and mass filter resolution widths were examined for their contributions to the lost signal. Protein standards myoglobin and ubiquitin along with small molecules reserpine and vancomycin were analyzed together with various collision induced dissociation (CID) gases (N2, He, and Ar) at different gas pressures. Mass resolution settings played a significant role in reducing ion transmission signal. By narrowing the mass resolution window by 0.35 m/z on each side, roughly 75%-90% of the ion signal was lost. The multiply charged proteins experienced additional proton transfer effects, corresponding to 10-fold signal reduction. A study of increased sensitivity of the method was also conducted with various MRM summation techniques. Although the degree of enhancement was analyte-dependent, an up to 17-fold increase in sensitivity was observed for ubiquitin using a summation of multiple MRM transitions. Biological matrix, human urine, and equine plasma were spiked with proteins to demonstrate the specificity of the method. This study provides additional insight into optimizing the use and sensitivity of QqQ-MS for intact protein quantification. [Figure not available: see fulltext.

Thermally assisted infrared multiphoton photodissociation in a quadrupole ion trap.

PubMed

Payne, A H; Glish, G L

2001-08-01

Thermally assisted infrared multiphoton photodissociation (TA-IRMPD) provides an effective means to dissociate ions in the quadrupole ion trap mass spectrometer (QITMS) without detrimentally affecting the performance of the instrument. IRMPD can offer advantages over collision-induced dissociation (CID). However, collisions with the QITMS bath gas at the standard pressure and ambient temperature cause IR-irradiated ions to lose energy faster than photons can be absorbed to induce dissociation. The low pressure required for IRMPD (< or = 10(-5) Torr) is not that required for optimal performance of the QITMS (10(-3) Torr), and sensitivity and resolution suffer. TA-IRMPD is performed with the bath gas at an elevated temperature. The higher temperature of the bath gas results in less energy lost in collisions of the IR-excited ions with the bath gas. Thermal assistance allows IRMPD to be used at or near optimal pressures, which results in an approximately 1 order of magnitude increase in signal intensity. Unlike CID, IRMPD allows small product ions, those less than about one-third the m/z of the parent ion, to be observed. IRMPD should also be more easily paired with fluctuating ion sources, as the corresponding fluctuations in resonant frequencies do not affect IRMPD. Finally, while IR irradiation nonselectively causes dissociation of all ions, TA-IRMPD can be made selective by using axial expansion to move ions away from the path of the laser beam.

Miniature micromachined quadrupole mass spectrometer array and method of making the same

NASA Technical Reports Server (NTRS)

Chutjian, Ara (Inventor); Brennen, Reid A. (Inventor); Hecht, Michael (Inventor); Wiberg, Dean (Inventor); Orient, Otto (Inventor)

2001-01-01

The present invention provides a quadrupole mass spectrometer and an ion filter for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and alignment for use in a final quadrupole mass spectrometer device.

Miniature micromachined quadrupole mass spectrometer array and method of making the same

NASA Technical Reports Server (NTRS)

Hecht, Michael (Inventor); Wiberg, Dean (Inventor); Orient, Otto (Inventor); Brennen, Reid A. (Inventor); Chutjian, Ara (Inventor)

2001-01-01

The present invention provides a quadrupole mass spectrometer and an ion filter for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and aligrnent for use in a final quadrupole mass spectrometer device.

Miniature micromachined quadrupole mass spectrometer array and method of making the same

NASA Technical Reports Server (NTRS)

Orient, Otto (Inventor); Wiberg, Dean (Inventor); Brennen, Reid A. (Inventor); Hecht, Michael (Inventor); Chutjian, Ara (Inventor)

2000-01-01

The present invention provides a quadrupole mass spectrometer and an ion filter for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and alignment for use in a final quadrupole mass spectrometer device.

Squeezed coherent states of motion for ions confined in quadrupole and octupole ion traps

NASA Astrophysics Data System (ADS)

Mihalcea, Bogdan M.

2018-01-01

Quasiclassical dynamics of trapped ions is characterized by applying the time dependent variational principle (TDVP) on coherent state orbits, in case of quadrupole and octupole combined (Paul and Penning) or radiofrequency (RF) traps. A dequantization algorithm is proposed, by which the classical Hamilton (energy) function associated to the system results as the expectation value of the quantum Hamiltonian on squeezed coherent states. We develop such method and particularize the quantum Hamiltonian for both combined and RF nonlinear traps, that exhibit axial symmetry. We also build the classical Hamiltonian functions for the particular traps we considered, and find the classical equations of motion.

Miniature micromachined quadrupole mass spectrometer array and method of making the same

NASA Technical Reports Server (NTRS)

Fuerstenau, Stephen D. (Inventor); Yee, Karl Y. (Inventor); Chutjian, Ara (Inventor); Orient, Otto J. (Inventor); Rice, John T. (Inventor)

2002-01-01

The present invention provides a quadrupole mass spectrometer and an ion filter, or pole array, for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and alignment for use in a final quadrupole mass spectrometer device.

Miniature micromachined quadrupole mass spectrometer array and method of making the same

NASA Technical Reports Server (NTRS)

Chutjian, Ara (Inventor); Rice, John T. (Inventor); Fuerstenau, Stephen D. (Inventor); Orient, Otto J. (Inventor); Yee, Karl Y. (Inventor)

2000-01-01

The present invention provides a quadrupole mass spectrometer and an ion filter, or pole array, for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and alignment for use in a final quadrupole mass spectrometer device.

Miniature micromachined quadrupole mass spectrometer array and method of making the same

NASA Technical Reports Server (NTRS)

Yee, Karl Y. (Inventor); Fuerstenau, Stephen D. (Inventor); Orient, Otto J. (Inventor); Rice, John T. (Inventor); Chutjian, Ara (Inventor)

2001-01-01

The present invention provides a quadrupole mass spectrometer and an ion filter, or pole array, for use in the quadrupole mass spectrometer. The ion filter includes a thin patterned layer including a two-dimensional array of poles forming one or more quadrupoles. The patterned layer design permits the use of very short poles and with a very dense spacing of the poles, so that the ion filter may be made very small. Also provided is a method for making the ion filter and the quadrupole mass spectrometer. The method involves forming the patterned layer of the ion filter in such a way that as the poles of the patterned layer are formed, they have the relative positioning and alignment for use in a final quadrupole mass spectrometer device.

Electron cloud generation and trapping in a quadrupole magnet at the Los Alamos proton storage ring

NASA Astrophysics Data System (ADS)

Macek, Robert J.; Browman, Andrew A.; Ledford, John E.; Borden, Michael J.; O'Hara, James F.; McCrady, Rodney C.; Rybarcyk, Lawrence J.; Spickermann, Thomas; Zaugg, Thomas J.; Pivi, Mauro T. F.

2008-01-01

Recent beam physics studies on the two-stream e-p instability at the LANL proton storage ring (PSR) have focused on the role of the electron cloud generated in quadrupole magnets where primary electrons, which seed beam-induced multipacting, are expected to be largest due to grazing angle losses from the beam halo. A new diagnostic to measure electron cloud formation and trapping in a quadrupole magnet has been developed, installed, and successfully tested at PSR. Beam studies using this diagnostic show that the “prompt” electron flux striking the wall in a quadrupole is comparable to the prompt signal in the adjacent drift space. In addition, the “swept” electron signal, obtained using the sweeping feature of the diagnostic after the beam was extracted from the ring, was larger than expected and decayed slowly with an exponential time constant of 50 to 100μs. Other measurements include the cumulative energy spectra of prompt electrons and the variation of both prompt and swept electron signals with beam intensity. Experimental results were also obtained which suggest that a good fraction of the electrons observed in the adjacent drift space for the typical beam conditions in the 2006 run cycle were seeded by electrons ejected from the quadrupole.

Gas-phase ion-molecule reactions for the identification of the sulfone functionality in protonated analytes in a linear quadrupole ion trap mass spectrometer.

PubMed

Tang, Weijuan; Sheng, Huaming; Kong, John Y; Yerabolu, Ravikiran; Zhu, Hanyu; Max, Joann; Zhang, Minli; Kenttämaa, Hilkka I

2016-06-30

The oxidation of sulfur atoms is an important biotransformation pathway for many sulfur-containing drugs. In order to rapidly identify the sulfone functionality in drug metabolites, a tandem mass spectrometric method based on ion-molecule reactions was developed. A phosphorus-containing reagent, trimethyl phosphite (TMP), was allowed to react with protonated analytes with various functionalities in a linear quadrupole ion trap mass spectrometer. The reaction products and reaction efficiencies were measured. Only protonated sulfone model compounds were found to react with TMP to form a characteristic [TMP adduct-MeOH] product ion. All other protonated compounds investigated, with functionalities such as sulfoxide, N-oxide, hydroxylamino, keto, carboxylic acid, and aliphatic and aromatic amino, only react with TMP via proton transfer and/or addition. The specificity of the reaction was further demonstrated by using a sulfoxide-containing anti-inflammatory drug, sulindac, as well as its metabolite sulindac sulfone. A method based on functional group-selective ion-molecule reactions in a linear quadrupole ion trap mass spectrometer has been demonstrated for the identification of the sulfone functionality in protonated analytes. A characteristic [TMP adduct-MeOH] product ion was only formed for the protonated sulfone analytes. The applicability of the TMP reagent in identifying sulfone functionalities in drug metabolites was also demonstrated. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Multi-Pass Quadrupole Mass Analyzer

NASA Technical Reports Server (NTRS)

Prestage, John D.

2013-01-01

Analysis of the composition of planetary atmospheres is one of the most important and fundamental measurements in planetary robotic exploration. Quadrupole mass analyzers (QMAs) are the primary tool used to execute these investigations, but reductions in size of these instruments has sacrificed mass resolving power so that the best present-day QMA devices are still large, expensive, and do not deliver performance of laboratory instruments. An ultra-high-resolution QMA was developed to resolve N2 +/CO+ by trapping ions in a linear trap quadrupole filter. Because N2 and CO are resolved, gas chromatography columns used to separate species before analysis are eliminated, greatly simplifying gas analysis instrumentation. For highest performance, the ion trap mode is used. High-resolution (or narrow-band) mass selection is carried out in the central region, but near the DC electrodes at each end, RF/DC field settings are adjusted to allow broadband ion passage. This is to prevent ion loss during ion reflection at each end. Ions are created inside the trap so that low-energy particles are selected by low-voltage settings on the end electrodes. This is beneficial to good mass resolution since low-energy particles traverse many cycles of the RF filtering fields. Through Monte Carlo simulations, it is shown that ions are reflected at each end many tens of times, each time being sent back through the central section of the quadrupole where ultrahigh mass filtering is carried out. An analyzer was produced with electrical length orders of magnitude longer than its physical length. Since the selector fields are sized as in conventional devices, the loss of sensitivity inherent in miniaturizing quadrupole instruments is avoided. The no-loss, multi-pass QMA architecture will improve mass resolution of planetary QMA instruments while reducing demands on the RF electronics for high-voltage/high-frequency production since ion transit time is no longer limited to a single pass. The

Transfer matrix calculation for ion optical elements using real fields

NASA Astrophysics Data System (ADS)

Mishra, P. M.; Blaum, K.; George, S.; Grieser, M.; Wolf, A.

2018-03-01

With the increasing importance of ion storage rings and traps in low energy physics experiments, an efficient transport of ion species from the ion source area to the experimental setup becomes essential. Some available, powerful software packages rely on transfer matrix calculations in order to compute the ion trajectory through the ion-optical beamline systems of high complexity. With analytical approaches, so far the transfer matrices are documented only for a few ideal ion optical elements. Here we describe an approach (using beam tracking calculations) to determine the transfer matrix for any individual electrostatic or magnetostatic ion optical element. We verify the procedure by considering the well-known cases and then apply it to derive the transfer matrix of a 90-degree electrostatic quadrupole deflector including its realistic geometry and fringe fields. A transfer line consisting of a quadrupole deflector and a quadrupole doublet is considered, where the results from the standard first order transfer matrix based ion optical simulation program implementing the derived transfer matrix is compared with the real field beam tracking simulations.

Adaptation of a 3-D Quadrupole Ion Trap for Dipolar DC Collisional Activation

PubMed Central

Prentice, Boone M.; Santini, Robert E.; McLuckey, Scott A.

2011-01-01

Means to allow for the application of a dipolar DC pulse to the end-cap electrodes of a three-dimensional (3-D) quadrupole ion trap for as short as a millisecond to as long as hundreds of milliseconds are described. The implementation of dipolar DC does not compromise the ability to apply AC waveforms to the end-cap electrodes at other times in the experiment. Dipolar DC provides a nonresonant means for ion acceleration by displacing ions from the center of the ion trap where they experience stronger rf electric fields, which increases the extent of micro-motion. The evolution of the product ion spectrum to higher generation products with time, as shown using protonated leucine enkephalin as a model protonated peptide, illustrates the broad-band nature of the activation. Dipolar DC activation is also shown to be effective as an ion heating approach in mimicking high amplitude short time excitation (HASTE)/pulsed Q dissociation (PQD) resonance excitation experiments that are intended to enhance the likelihood for observing low m/z products in ion trap tandem mass spectrometry. PMID:21953251

Simultaneous and Sequential MS/MS Scan Combinations and Permutations in a Linear Quadrupole Ion Trap.

PubMed

Snyder, Dalton T; Szalwinski, Lucas J; Cooks, R Graham

2017-10-17

Methods of performing precursor ion scans as well as neutral loss scans in a single linear quadrupole ion trap have recently been described. In this paper we report methodology for performing permutations of MS/MS scan modes, that is, ordered combinations of precursor, product, and neutral loss scans following a single ion injection event. Only particular permutations are allowed; the sequences demonstrated here are (1) multiple precursor ion scans, (2) precursor ion scans followed by a single neutral loss scan, (3) precursor ion scans followed by product ion scans, and (4) segmented neutral loss scans. (5) The common product ion scan can be performed earlier in these sequences, under certain conditions. Simultaneous scans can also be performed. These include multiple precursor ion scans, precursor ion scans with an accompanying neutral loss scan, and multiple neutral loss scans. We argue that the new capability to perform complex simultaneous and sequential MS n operations on single ion populations represents a significant step in increasing the selectivity of mass spectrometry.

Novel control modes to improve the performance of rectilinear ion trap mass spectrometer with dual pressure chambers

NASA Astrophysics Data System (ADS)

Huo, Xinming; Tang, Fei; Zhang, Xiaohua; Chen, Jin; Zhang, Yan; Guo, Cheng'an; Wang, Xiaohao

2016-10-01

The rectilinear ion trap (RIT) has gradually become one of the preferred mass analyzers for portable mass spectrometers because of its simple configuration. In order to enhance the performance, including sensitivity, quantitation capability, throughput, and resolution, a novel RIT mass spectrometer with dual pressure chambers was designed and characterized. The studied system constituted a quadrupole linear ion trap (QLIT) in the first chamber and a RIT in the second chamber. Two control modes are hereby proposed: Storage Quadrupole Linear Ion Trap-Rectilinear Ion Trap (SQLIT-RIT) mode, in which the QLIT was used at high pressure for ion storage and isolation, and the RIT was used for analysis; and Analysis Quadrupole Linear Ion Trap-Rectilinear Ion Trap (AQLIT-RIT) mode, in which the QLIT was used for ion storage and cooling. Subsequently, synchronous scanning and analysis were carried out by QLIT and RIT. In SQLIT-RIT mode, signal intensity was improved by a factor of 30; the limit of quantitation was reduced more than tenfold to 50 ng mL-1, and an optimal duty cycle of 96.4% was achieved. In AQLIT-RIT mode, the number of ions coexisting in the RIT was reduced, which weakened the space-charge effect and reduced the mass shift. Furthermore, the mass resolution was enhanced by a factor of 3. The results indicate that the novel control modes achieve satisfactory performance without adding any system complexity, which provides a viable pathway to guarantee good analytical performance in miniaturization of the mass spectrometer.

Measuring masses of single bacterial whole cells with a quadrupole ion trap.

PubMed

Peng, Wen-Ping; Yang, Yi-Chang; Kang, Ming-Wei; Lee, Yuan T; Chang, Huan-Cheng

2004-09-29

A novel method has been developed to precisely measure the masses of single bacterial whole cells using a quadrupole ion trap as an electrodynamic balance. The bacterial cells were introduced into the ion trap by matrix-assisted laser desorption/ionization, confined in space by audio frequency ac fields, and detected by elastic light scattering. Mass measurement accuracy approaching 0.1% was achieved for Escherichia coli K-12 with a mass distribution of +/-3% from 60 repetitive measurements of the particles and their clusters. This is the first high-precision mass measurement reported for any intact microorganisms with masses greater than 1 x 1010 Da. The method opens new avenues for high-precision mass measurement of single microbial particles and offers an alternative approach for rapid identification of microorganisms by mass spectrometry.

First storage of ion beams in the Double Electrostatic Ion-Ring Experiment: DESIREE.

PubMed

Schmidt, H T; Thomas, R D; Gatchell, M; Rosén, S; Reinhed, P; Löfgren, P; Brännholm, L; Blom, M; Björkhage, M; Bäckström, E; Alexander, J D; Leontein, S; Hanstorp, D; Zettergren, H; Liljeby, L; Källberg, A; Simonsson, A; Hellberg, F; Mannervik, S; Larsson, M; Geppert, W D; Rensfelt, K G; Danared, H; Paál, A; Masuda, M; Halldén, P; Andler, G; Stockett, M H; Chen, T; Källersjö, G; Weimer, J; Hansen, K; Hartman, H; Cederquist, H

2013-05-01

We report on the first storage of ion beams in the Double ElectroStatic Ion Ring ExpEriment, DESIREE, at Stockholm University. We have produced beams of atomic carbon anions and small carbon anion molecules (C(n)(-), n = 1, 2, 3, 4) in a sputter ion source. The ion beams were accelerated to 10 keV kinetic energy and stored in an electrostatic ion storage ring enclosed in a vacuum chamber at 13 K. For 10 keV C2 (-) molecular anions we measure the residual-gas limited beam storage lifetime to be 448 s ± 18 s with two independent detector systems. Using the measured storage lifetimes we estimate that the residual gas pressure is in the 10(-14) mbar range. When high current ion beams are injected, the number of stored particles does not follow a single exponential decay law as would be expected for stored particles lost solely due to electron detachment in collision with the residual-gas. Instead, we observe a faster initial decay rate, which we ascribe to the effect of the space charge of the ion beam on the storage capacity.

Quadrupole ion traps and trap arrays: geometry, material, scale, performance.

PubMed

Ouyang, Z; Gao, L; Fico, M; Chappell, W J; Noll, R J; Cooks, R G

2007-01-01

Quadrupole ion traps are reviewed, emphasizing recent developments, especially the investigation of new geometries, guided by multiple particle simulations such as the ITSIM program. These geometries include linear ion traps (LITs) and the simplified rectilinear ion trap (RIT). Various methods of fabrication are described, including the use of rapid prototyping apparatus (RPA), in which 3D objects are generated through point-by-point laser polymerization. Fabrication in silicon using multilayer semi-conductor fabrication techniques has been used to construct arrays of micro-traps. The performance of instruments containing individual traps as well as arrays of traps of various sizes and geometries is reviewed. Two types of array are differentiated. In the first type, trap arrays constitute fully multiplexed mass spectrometers in which multiple samples are examined using multiple sources, analyzers and detectors, to achieve high throughput analysis. In the second, an array of individual traps acts collectively as a composite trap to increase trapping capacity and performance for a single sample. Much progress has been made in building miniaturized mass spectrometers; a specific example is a 10 kg hand-held tandem mass spectrometer based on the RIT mass analyzer. The performance of this instrument in air and water analysis, using membrane sampling, is described.

Development of a quadrupole-based Secondary-Ion Mass Spectrometry (SIMS) system at Lewis Research Center

NASA Technical Reports Server (NTRS)

Vargas-Aburto, Carlos; Aron, Paul R.; Liff, Dale R.

1990-01-01

The design, construction, and initial use of an ion microprobe to carry out secondary ion mass spectrometry (SIMS) of solid samples is reported. The system is composed of a differentially pumped custom-made UHV (Ultra High Vacuum) chamber, a quadrupole mass spectrometer and a telefocus A-DIDA ion gun with the capability of producing beams of Cesium, as well as inert and reactive gases. The computer control and acquisition of the data were designed and implemented using a personal computer with plug-in boards, and external circuitry built as required to suit the system needs. The software is being developed by using a FORTH-like language. Initial tests aimed at characterizing the system, as well as preliminary surface and depth-profiling studies are presently underway.

Storage Characteristics of Lithium Ion Cells

NASA Technical Reports Server (NTRS)

Ratnakumar, B. V.; Smart, M. C.; Blosiu, J. O.; Surampudi, S.

2000-01-01

Lithium ion cells are being developed under the NASA/Air Force Consortium for the upcoming aerospace missions. First among these missions are the Mars 2001 Lander and Mars 2003 Lander and Rover missions. Apart from the usual needs of high specific energy, energy density and long cycle life, a critical performance characteristic for the Mars missions is low temperature performance. The batteries need to perform well at -20 C, with at least 70% of the rated capacity realizable at moderate discharge rates (C/5). Several modifications have been made to the lithium ion chemistry, mainly with respect to the electrolyte, both at JPL' and elsewhere to achieve this. Another key requirement for the battery is its storageability during pre-cruise and cruise periods. For the Mars programs, the cruise period is relatively short, about 12 months, compared to the Outer Planets missions (3-8 years). Yet, the initial results of our storage studies reveal that the cells do sustain noticeable permanent degradation under certain storage conditions, typically of 10% over two months duration at ambient temperatures, attributed to impedance buildup. The build up of the cell impedance or the decay in the cell capacity is affected by various storage parameters, i.e., storage temperature, storage duration, storage mode (open circuit, on buss or cycling at low rates) and state of charge. Our preliminary studies indicate that low storage temperatures and states of charge are preferable. In some cases, we have observed permanent capacity losses of approx. 10% over eight-week storage at 40 C, compared to approx. 0-2% at O C. Also, we are attempting to determine the impact of cell chemistry and design upon the storageability of Li ion cells.

An improved pseudotargeted metabolomics approach using multiple ion monitoring with time-staggered ion lists based on ultra-high performance liquid chromatography/quadrupole time-of-flight mass spectrometry.

PubMed

Wang, Yang; Liu, Fang; Li, Peng; He, Chengwei; Wang, Ruibing; Su, Huanxing; Wan, Jian-Bo

2016-07-13

Pseudotargeted metabolomics is a novel strategy integrating the advantages of both untargeted and targeted methods. The conventional pseudotargeted metabolomics required two MS instruments, i.e., ultra-high performance liquid chromatography/quadrupole-time- of-flight mass spectrometry (UHPLC/Q-TOF MS) and UHPLC/triple quadrupole mass spectrometry (UHPLC/QQQ-MS), which makes method transformation inevitable. Furthermore, the picking of ion pairs from thousands of candidates and the swapping of the data between two instruments are the most labor-intensive steps, which greatly limit its application in metabolomic analysis. In the present study, we proposed an improved pseudotargeted metabolomics method that could be achieved on an UHPLC/Q-TOF/MS instrument operated in the multiple ion monitoring (MIM) mode with time-staggered ion lists (tsMIM). Full scan-based untargeted analysis was applied to extract the target ions. After peak alignment and ion fusion, a stepwise ion picking procedure was used to generate the ion lists for subsequent single MIM and tsMIM. The UHPLC/Q-TOF tsMIM MS-based pseudotargeted approach exhibited better repeatability and a wider linear range than the UHPLC/Q-TOF MS-based untargeted metabolomics method. Compared to the single MIM mode, the tsMIM significantly increased the coverage of the metabolites detected. The newly developed method was successfully applied to discover plasma biomarkers for alcohol-induced liver injury in mice, which indicated its practicability and great potential in future metabolomics studies. Copyright © 2016 Elsevier B.V. All rights reserved.

Comparison of conventional and novel quadrupole drift tube magnets inspired by Klaus Halbach

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

Feinberg, B.

1995-02-01

Quadrupole drift tube magnets for a heavy-ion linac provide a demanding application of magnet technology. A comparison is made of three different solutions to the problem of providing an adjustable high-field-strength quadrupole magnet in a small volume. A conventional tape-wound electromagnet quadrupole magnet (conventional) is compared with an adjustable permanent-magnet/iron quadrupole magnet (hybrid) and a laced permanent-magnet/iron/electromagnet (laced). Data is presented from magnets constructed for the SuperHILAC heavy-ion linear accelerator, and conclusions are drawn for various applications.

Laser-stimulated electric quadrupole transitions in the molecular hydrogen ion H2+

NASA Astrophysics Data System (ADS)

Korobov, V. I.; Danev, P.; Bakalov, D.; Schiller, S.

2018-03-01

Molecular hydrogen ions are of metrological relevance due to the possibility of precise theoretical evaluation of their spectrum and of external-field-induced shifts. We report the results of the calculations of the rate of laser-induced electric quadrupole transitions between a large set of ro-vibrational states of H2+. The hyperfine and Zeeman structure of the E 2 transition spectrum and the effects of the laser polarization are treated in detail. The treatment is generally applicable to molecules in 2Σ states. We also present the nuclear spin-electron spin-coupling constants, computed with a precision ten times higher than previously obtained.

Development of high intensity ion sources for a Tandem-Electrostatic-Quadrupole facility for Accelerator-Based Boron Neutron Capture Therapy.

PubMed

Bergueiro, J; Igarzabal, M; Sandin, J C Suarez; Somacal, H R; Vento, V Thatar; Huck, H; Valda, A A; Repetto, M; Kreiner, A J

2011-12-01

Several ion sources have been developed and an ion source test stand has been mounted for the first stage of a Tandem-Electrostatic-Quadrupole facility For Accelerator-Based Boron Neutron Capture Therapy. A first source, designed, fabricated and tested is a dual chamber, filament driven and magnetically compressed volume plasma proton ion source. A 4 mA beam has been accelerated and transported into the suppressed Faraday cup. Extensive simulations of the sources have been performed using both 2D and 3D self-consistent codes. Copyright © 2011 Elsevier Ltd. All rights reserved.

Investigation of a quadrupole ultra-high vacuum ion pump

NASA Technical Reports Server (NTRS)

Schwarz, H. J.

1974-01-01

The new nonmagnetic ion pump resembles the quadrupole ionization gage. The dimensions are larger, and hyperbolically shaped electrodes replace the four rods. Their surfaces follow y sq. = 36 + x sq. (x, y in centimeters). The electrodes, 55 cm long, are positioned lengthwise in a tube. At one end a cathode emits electrons; at the other end a narrowly wound flat spiral of tungsten clad with titanium on cathode potential can be heated for titanium evaporation. Electrons accelerated by a dc potential of the surface electrodes oscillate between the ends on rotational trajectories, if a high frequency potential superimposed on the dc potential is properly adjusted. Pumping speeds (4-100 liter/sec) for different gases at different peak voltages (1000-3000V) at corresponding frequencies (57-100 MHz), and at different pressures 0.00001 to the minus 9 power Torr were observed. The lowest pressure reached was below 10 to the minus 10 power Torr.

Electron Transfer Ion/Ion Reactions in a Three-Dimensional Quadrupole Ion Trap: Reactions of Doubly and Triply Protonated Peptides with SO2·−

PubMed Central

Pitteri, Sharon J.; Chrisman, Paul A.; Hogan, Jason M.; McLuckey, Scott A.

2005-01-01

Ion–ion reactions between a variety of peptide cations (doubly and triply charged) and SO2 anions have been studied in a 3-D quadrupole ion trap, resulting in proton and electron transfer. Electron transfer dissociation (ETD) gives many c- and z-type fragments, resulting in extensive sequence coverage in the case of triply protonated peptides with SO2·−. For triply charged neurotensin, in which a direct comparison can be made between 3-D and linear ion trap results, abundances of ETD fragments relative to one another appear to be similar. Reactions of doubly protonated peptides with SO2·− give much less structural information from ETD than triply protonated peptides. Collision-induced dissociation (CID) of singly charged ions formed in reactions with SO2·− shows a combination of proton and electron transfer products. CID of the singly charged species gives more structural information than ETD of the doubly protonated peptide, but not as much information as ETD of the triply protonated peptide. PMID:15762593

Precursor and Neutral Loss Scans in an RF Scanning Linear Quadrupole Ion Trap

NASA Astrophysics Data System (ADS)

Snyder, Dalton T.; Szalwinski, Lucas J.; Schrader, Robert L.; Pirro, Valentina; Hilger, Ryan; Cooks, R. Graham

2018-03-01

Methodology for performing precursor and neutral loss scans in an RF scanning linear quadrupole ion trap is described and compared to the unconventional ac frequency scan technique. In the RF scanning variant, precursor ions are mass selectively excited by a fixed frequency resonance excitation signal at low Mathieu q while the RF amplitude is ramped linearly to pass ions through the point of excitation such that the excited ion's m/z varies linearly with time. Ironically, a nonlinear ac frequency scan is still required for ejection of the product ions since their frequencies vary nonlinearly with the linearly varying RF amplitude. In the case of the precursor scan, the ejection frequency must be scanned so that it is fixed on a product ion m/z throughout the RF scan, whereas in the neutral loss scan, it must be scanned to maintain a constant mass offset from the excited precursor ions. Both simultaneous and sequential permutation scans are possible; only the former are demonstrated here. The scans described are performed on a variety of samples using different ionization sources: protonated amphetamine ions generated by nanoelectrospray ionization (nESI), explosives ionized by low-temperature plasma (LTP), and chemical warfare agent simulants sampled from a surface and analyzed with swab touch spray (TS). We lastly conclude that the ac frequency scan variant of these MS/MS scans is preferred due to electronic simplicity. In an accompanying manuscript, we thus describe the implementation of orthogonal double resonance precursor and neutral loss scans on the Mini 12 using constant RF voltage. [Figure not available: see fulltext.

Excitation of transverse dipole and quadrupole modes in a pure ion plasma in a linear Paul trap to study collective processes in intense beams

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

Gilson, Erik P.; Davidson, Ronald C.; Efthimion, Philip C.

Transverse dipole and quadrupole modes have been excited in a one-component cesium ion plasma trapped in the Paul Trap Simulator Experiment (PTSX) in order to characterize their properties and understand the effect of their excitation on equivalent long-distance beam propagation. The PTSX device is a compact laboratory Paul trap that simulates the transverse dynamics of a long, intense charge bunch propagating through an alternating-gradient transport system by putting the physicist in the beam's frame of reference. A pair of arbitrary function generators was used to apply trapping voltage waveform perturbations with a range of frequencies and, by changing which electrodesmore » were driven with the perturbation, with either a dipole or quadrupole spatial structure. The results presented in this paper explore the dependence of the perturbation voltage's effect on the perturbation duration and amplitude. Perturbations were also applied that simulate the effect of random lattice errors that exist in an accelerator with quadrupole magnets that are misaligned or have variance in their field strength. The experimental results quantify the growth in the equivalent transverse beam emittance that occurs due to the applied noise and demonstrate that the random lattice errors interact with the trapped plasma through the plasma's internal collective modes. Coherent periodic perturbations were applied to simulate the effects of magnet errors in circular machines such as storage rings. The trapped one component plasma is strongly affected when the perturbation frequency is commensurate with a plasma mode frequency. The experimental results, which help to understand the physics of quiescent intense beam propagation over large distances, are compared with analytic models.« less

Study of a micro chamber quadrupole mass spectrometer

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

Wang Jinchan; Zhang Xiaobing; Mao Fuming

The design of a micro chamber quadrupole mass spectrometer (MCQMS) having a small total volume of only 20 cm{sup 3}, including Faraday cup ion detector and ion source, is described. This MCQMS can resist a vacuum baking temperature of 400-500 deg. C. The quadrupole elements with a hyperbolic surface are made of a ceramic material and coated with a thin metal layer. The quadrupole mass filter has a field radius of 3 mm and a length of 100 mm. Prototypes of this new MCQMS can detect a minimum partial pressure of 10{sup -8} Pa, have a peak width of {delta}M=1more » at 10% peak height from mass number 1 to 60, and show an excellent long-term stability. The new MCQMS is intended to be used in residual gas analyses of electron devices during a mutual pumping and baking process.« less

Depletion of the excited state population in negative ions using laser photodetachment in a gas filled RF quadrupole ion guide

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

Lindahl, A. O.; Hanstorp, D.; Forstner, Dr. Oliver

2010-01-01

The depopulation of excited states in beams of negatively charged carbon and silicon ions was demonstrated using collisional detachment and laser photodetachment in a radio-frequency quadrupole ion guide filled with helium. The high-lying, loosely bound {sup 2}D excited state in C{sup -} was completely depleted through collisional detachment alone, which was quantitatively determined within 6%. For Si{sup -} the combined signal from the population in the {sup 2}P and {sup 2}D excited states was only partly depleted through collisions in the cooler. The loosely bound {sup 2}P state was likely to be completely depopulated, and the more tightly bound {supmore » 2}D state was partly depopulated through collisions. 98(2)% of the remaining {sup 2}D population was removed by photodetachment in the cooler using less than 2 W laser power. The total reduction of the excited population in Si{sup -}, including collisional detachment and photodetachment, was estimated to be 99(1)%. Employing this novel technique to produce a pure ground state negative ion beam offers possibilities of enhancing selectivity, as well as accuracy, in high-precision experiments on atomic as well as molecular negative ions.« less

A thermosphere composition measurement using a quadrupole mass spectrometer with a side energy focussing quasi-open ion source

NASA Technical Reports Server (NTRS)

Niemann, H. B.; Spencer, N. W.; Schmitt, G. A.

1971-01-01

The atomic oxygen concentration in the altitude range 130 to 240 km was determined through the use of a quadrupole spectrometer with a strongly focussing ion source. The instrument is used in the Thermosphere Probe in a manner that greatly increases the proportion of measured oxygen ions that have not experienced a surface collision and permits quantitative evaluation of surface recombination and thermalization effects which inevitably enter all spectrometer determinations. The data obtained strengthen the concept that consideration of surface effects is significant in quantifying spectrometer measurements of reactive gases, and tend to be in agreement with von Zahn's recent results.

The direct injection of intense ion beams from a high field electron cyclotron resonance ion source into a radio frequency quadrupole

NASA Astrophysics Data System (ADS)

Rodrigues, G.; Becker, R.; Hamm, R. W.; Baskaran, R.; Kanjilal, D.; Roy, A.

2014-02-01

The ion current achievable from high intensity ECR sources for highly charged ions is limited by the high space charge. This makes classical extraction systems for the transport and subsequent matching to a radio frequency quadrupole (RFQ) accelerator less efficient. The direct plasma injection (DPI) method developed originally for the laser ion source avoids these problems and uses the combined focusing of the gap between the ion source and the RFQ vanes (or rods) and the focusing of the rf fields from the RFQ penetrating into this gap. For high performance ECR sources that use superconducting solenoids, the stray magnetic field of the source in addition to the DPI scheme provides focusing against the space charge blow-up of the beam. A combined extraction/matching system has been designed for a high performance ECR ion source injecting into an RFQ, allowing a total beam current of 10 mA from the ion source for the production of highly charged 238U40+ (1.33 mA) to be injected at an ion source voltage of 60 kV. In this design, the features of IGUN have been used to take into account the rf-focusing of an RFQ channel (without modulation), the electrostatic field between ion source extraction and the RFQ vanes, the magnetic stray field of the ECR superconducting solenoid, and the defocusing space charge of an ion beam. The stray magnetic field is shown to be critical in the case of a matched beam.

The direct injection of intense ion beams from a high field electron cyclotron resonance ion source into a radio frequency quadrupole.

PubMed

Rodrigues, G; Becker, R; Hamm, R W; Baskaran, R; Kanjilal, D; Roy, A

2014-02-01

The ion current achievable from high intensity ECR sources for highly charged ions is limited by the high space charge. This makes classical extraction systems for the transport and subsequent matching to a radio frequency quadrupole (RFQ) accelerator less efficient. The direct plasma injection (DPI) method developed originally for the laser ion source avoids these problems and uses the combined focusing of the gap between the ion source and the RFQ vanes (or rods) and the focusing of the rf fields from the RFQ penetrating into this gap. For high performance ECR sources that use superconducting solenoids, the stray magnetic field of the source in addition to the DPI scheme provides focusing against the space charge blow-up of the beam. A combined extraction/matching system has been designed for a high performance ECR ion source injecting into an RFQ, allowing a total beam current of 10 mA from the ion source for the production of highly charged (238)U(40+) (1.33 mA) to be injected at an ion source voltage of 60 kV. In this design, the features of IGUN have been used to take into account the rf-focusing of an RFQ channel (without modulation), the electrostatic field between ion source extraction and the RFQ vanes, the magnetic stray field of the ECR superconducting solenoid, and the defocusing space charge of an ion beam. The stray magnetic field is shown to be critical in the case of a matched beam.

Two-stage energy storage equalization system for lithium-ion battery pack

NASA Astrophysics Data System (ADS)

Chen, W.; Yang, Z. X.; Dong, G. Q.; Li, Y. B.; He, Q. Y.

2017-11-01

How to raise the efficiency of energy storage and maximize storage capacity is a core problem in current energy storage management. For that, two-stage energy storage equalization system which contains two-stage equalization topology and control strategy based on a symmetric multi-winding transformer and DC-DC (direct current-direct current) converter is proposed with bidirectional active equalization theory, in order to realize the objectives of consistent lithium-ion battery packs voltages and cells voltages inside packs by using a method of the Range. Modeling analysis demonstrates that the voltage dispersion of lithium-ion battery packs and cells inside packs can be kept within 2 percent during charging and discharging. Equalization time was 0.5 ms, which shortened equalization time of 33.3 percent compared with DC-DC converter. Therefore, the proposed two-stage lithium-ion battery equalization system can achieve maximum storage capacity between lithium-ion battery packs and cells inside packs, meanwhile efficiency of energy storage is significantly improved.

Mass selectivity of dipolar resonant excitation in a linear quadrupole ion trap.

PubMed

Douglas, D J; Konenkov, N V

2014-03-15

For mass analysis, linear quadrupole ion traps operate with dipolar excitation of ions for either axial or radial ejection. There have been comparatively few computer simulations of this process. We introduce a new concept, the excitation contour, S(q), the fraction of the excited ions that reach the trap electrodes when trapped at q values near that corresponding to the excitation frequency. Ion trajectory calculations are used to calculate S(q). Ions are given Gaussian distributions of initial positions in x and y, and thermal initial velocity distributions. To model gas damping, a drag force is added to the equations of motion. The effects of the initial conditions, ejection Mathieu parameter q, scan speed, excitation voltage and collisional damping, are modeled. We find that, with no buffer gas, the mass resolution is mostly determined by the excitation time and is given by R~dβ/dq qn, where β(q) determines the oscillation frequency, and n is the number of cycles of the trapping radio frequency during the excitation or ejection time. The highest resolution at a given scan speed is reached with the lowest excitation amplitude that gives ejection. The addition of a buffer gas can increase the mass resolution. The simulation results are in broad agreement with experiments. The excitation contour, S(q), introduced here, is a useful tool for studying the ejection process. The excitation strength, excitation time and buffer gas pressure interact in a complex way but, when set properly, a mass resolution R0.5 of at least 10,000 can be obtained at a mass-to-charge ratio of 609. Copyright © 2014 John Wiley & Sons, Ltd.

Profiling the indole alkaloids in yohimbe bark with ultra-performance liquid chromatography coupled with ion mobility quadrupole time-of-flight mass spectrometry

USDA-ARS?s Scientific Manuscript database

An ultra-high performance liquid chromatography-ion mobility- quadrupole time-of-flight mass spectrometry (UHPLC-IM-QTOF-MS) method was developed for profiling the indole alkaloids in yohimbe bark. Many indole alkaloids with the yohimbine core structure, plus methylated, oxidized, and reduced speci...

Rechargeable dual-metal-ion batteries for advanced energy storage.

PubMed

Yao, Hu-Rong; You, Ya; Yin, Ya-Xia; Wan, Li-Jun; Guo, Yu-Guo

2016-04-14

Energy storage devices are more important today than any time before in human history due to the increasing demand for clean and sustainable energy. Rechargeable batteries are emerging as the most efficient energy storage technology for a wide range of portable devices, grids and electronic vehicles. Future generations of batteries are required to have high gravimetric and volumetric energy, high power density, low price, long cycle life, high safety and low self-discharge properties. However, it is quite challenging to achieve the above properties simultaneously in state-of-the-art single metal ion batteries (e.g. Li-ion batteries, Na-ion batteries and Mg-ion batteries). In this contribution, hybrid-ion batteries in which various metal ions simultaneously engage to store energy are shown to provide a new perspective towards advanced energy storage: by connecting the respective advantages of different metal ion batteries they have recently attracted widespread attention due to their novel performances. The properties of hybrid-ion batteries are not simply the superposition of the performances of single ion batteries. To enable a distinct description, we only focus on dual-metal-ion batteries in this article, for which the design and the benefits are briefly discussed. We enumerate some new results about dual-metal-ion batteries and demonstrate the mechanism for improving performance based on knowledge from the literature and experiments. Although the search for hybrid-ion batteries is still at an early age, we believe that this strategy would be an excellent choice for breaking the inherent disadvantages of single ion batteries in the near future.

Orthogonal Injection Ion Funnel Interface Providing Enhanced Performance for Selected Reaction Monitoring-Triple Quadrupole Mass Spectrometry

DOE PAGES

Chen, Tsung-Chi; Fillmore, Thomas L.; Prost, Spencer A.; ...

2015-06-24

The electrodynamic ion funnel facilitates efficient focusing and transfer of charged particles in the higher pressure regions (e.g. ion source interfaces) of mass spectrometers, and thus providing increased sensitivity. An “off-axis” ion funnel design has been developed to reduce the source contamination and interferences from, e.g. ESI droplet residue and other poorly focused neutral or charged particles with very high mass-to charge ratios. In this study a dual ion funnel interface consisting of an orthogonal higher pressure electrodynamic ion funnel (HPIF) and an ion funnel trap combined with a triple quadruple mass spectrometer was developed and characterized. An orthogonal ionmore » injection inlet and a repeller plate electrode was used to direct ions to an ion funnel HPIF at 9-10 Torr pressure. Several critical factors for the HPIF were characterized, including the effects of RF amplitude, DC gradient and operating pressure. Compared to the triple quadrupole standard interface more than 4-fold improvement in the limit of detection for the direct quantitative MS analysis of low abundance peptides was observed. Lastly, the sensitivity enhancement in liquid chromatography selected reaction monitoring (SRM) analyses of low abundance peptides spiked into a highly complex mixture was also compared with that obtained using a both commercial s-lens interface and a in-line dual ion funnel interface.« less

Secondary batteries with multivalent ions for energy storage

PubMed Central

Xu, Chengjun; Chen, Yanyi; Shi, Shan; Li, Jia; Kang, Feiyu; Su, Dangsheng

2015-01-01

The use of electricity generated from clean and renewable sources, such as water, wind, or sunlight, requires efficiently distributed electrical energy storage by high-power and high-energy secondary batteries using abundant, low-cost materials in sustainable processes. American Science Policy Reports state that the next-generation “beyond-lithium” battery chemistry is one feasible solution for such goals. Here we discover new “multivalent ion” battery chemistry beyond lithium battery chemistry. Through theoretic calculation and experiment confirmation, stable thermodynamics and fast kinetics are presented during the storage of multivalent ions (Ni2+, Zn2+, Mg2+, Ca2+, Ba2+, or La3+ ions) in alpha type manganese dioxide. Apart from zinc ion battery, we further use multivalent Ni2+ ion to invent another rechargeable battery, named as nickel ion battery for the first time. The nickel ion battery generally uses an alpha type manganese dioxide cathode, an electrolyte containing Ni2+ ions, and Ni anode. The nickel ion battery delivers a high energy density (340 Wh kg−1, close to lithium ion batteries), fast charge ability (1 minute), and long cycle life (over 2200 times). PMID:26365600

Astrochemistry in TSR and CSR Ion Storage Rings

NASA Astrophysics Data System (ADS)

Novotny, Oldrich

2017-04-01

Dissociative recombination (DR) of molecular ions plays a key role in controlling the charge density and composition of the cold interstellar medium (ISM). Experimental data on DR are required in order to understand the chemical network in the ISM and related processes such as star formation from molecular clouds. Needed data include not only total reaction cross sections, but also the chemical composition and excitation states of the neutral products. Utilizing the TSR storage ring in Heidelberg, Germany, we have carried out DR measurements for astrophysically important molecular ions. We use a merged electron-ion beams technique combined with event-by-event fragment counting and fragment imaging. The count rate of detected neutral DR products yields the absolute DR rate coefficient. Imaging the distribution of fragment distances provides information on the kinetic energy released including the states of both the initial molecule and the final products. Additional kinetic energy sensitivity of the employed detector allows for identification of fragmentation channels by fragment-mass combination within each dissociation event. Such combined information is essential for studies on DR of polyatomic ions with multi-channel breakup. The recently commissioned Cryogenic Storage Ring (CSR) in Heidelberg, Germany, extends the experimental capabilities of TSR by operation at cryogenic temperatures down to 6 K. At these conditions residual gas densities down to 100 cm-3 can be reached resulting in beam storage times of several hours. Long storage in the cold environment allows the ions to relax down to their rotational ground state, thus mimicking well the conditions in the cold ISM. A variety of astrophysically relevant reactions will be investigated at these conditions, such as DR, electron impact excitation, ion-neutral collisions, etc. We report our TSR results on DR of HCl+ and D2Cl+. We also present first results from the CSR commissioning experiments.

Trapping Mode Dipolar DC Collisional Activation in the RF-Only Ion Guide of a Linear Ion Trap/Time-of-Flight Instrument for Gaseous Bio-Ion Declustering

PubMed Central

Webb, Ian K.; Gao, Yang; Londry, Frank A.; McLuckey, Scott A.

2013-01-01

The application of dipolar DC (DDC) to the RF-only ion guide (Q0) of a hybrid quadrupole/time-of-flight (QqTOF) mass spectrometer for collision-induced declustering of large bio-ions is described. As a broadband technique, ion trap DDC collision activation (CA) is employed to decluster ions simultaneously over a relatively broad mass-to-charge range. Declustering DDC CA can yield significantly narrower peaks relative to those observed in the absence of declustering methods, depending upon the extent of non-covalent adduction associated with the ions, and can also be used in conjunction with other methods, such as nozzle-skimmer collisional activation. The key experimental variables in the DDC experiment are the dipolar DC voltage (VDDC), VRF, and the time over which VDDC is applied. The VDDC/VRF ratio is key to the extent to which ion temperatures are elevated and also influences the upper mass-to-charge limit for ion storage. The VDDC/VRF ratio affects ion temperatures and upper m/z limit in opposing directions. That is, as the ratio increases, ion temperature increases whereas the upper m/z storage limit decreases. However, for a given VDDC/VRF ratio, the upper m/z storage limit can be increased by increasing VRF, at the expense of the lower m/z limit for ion storage. The key value of the approach is that it affords a relatively precise degree of control over ion temperatures as well as the time over which they are elevated to the higher temperature. The utility of the method is illustrated by the application of ion trap DDC CA in Q0 to oligonucleotide, protein, and multimeric protein complex analyte ions. PMID:24078247

Decoupling electron and ion storage and the path from interfacial storage to artificial electrodes

NASA Astrophysics Data System (ADS)

Chen, Chia-Chin; Maier, Joachim

2018-02-01

The requirements for rechargeable batteries place high demands on the electrodes. Efficient storage means accommodating both ions and electrons, not only in substantial amounts, but also with substantial velocities. The materials' space could be largely extended by decoupling the roles of ions and electrons such that transport and accommodation of ions take place in one phase of a composite, and transport and accommodation of electrons in the other phase. Here we discuss this synergistic concept being equally applicable for positive and negative electrodes along with examples from the literature for Li-based and Ag-based cells. Not only does the concept have the potential to mitigate the trade-off between power density and energy density, it also enables a generalized view of bulk and interfacial storage as necessary for nanocrystals. It furthermore allows for testable predictions of heterogeneous storage in passivation layers, dependence of transfer resistance on the state of charge, or heterogeneous storage of hydrogen at appropriate contacts. We also present an outlook on constructing artificial mixed-conductor electrodes that have the potential to achieve both high energy density and high power density.

Triple Quadrupole Versus High Resolution Quadrupole-Time-of-Flight Mass Spectrometry for Quantitative LC-MS/MS Analysis of 25-Hydroxyvitamin D in Human Serum

NASA Astrophysics Data System (ADS)

Geib, Timon; Sleno, Lekha; Hall, Rabea A.; Stokes, Caroline S.; Volmer, Dietrich A.

2016-08-01

We describe a systematic comparison of high and low resolution LC-MS/MS assays for quantification of 25-hydroxyvitamin D3 in human serum. Identical sample preparation, chromatography separations, electrospray ionization sources, precursor ion selection, and ion activation were used; the two assays differed only in the implemented final mass analyzer stage; viz. high resolution quadrupole-quadrupole-time-of-flight (QqTOF) versus low resolution triple quadrupole instruments. The results were assessed against measured concentration levels from a routine clinical chemiluminescence immunoassay. Isobaric interferences prevented the simple use of TOF-MS spectra for extraction of accurate masses and necessitated the application of collision-induced dissociation on the QqTOF platform. The two mass spectrometry assays provided very similar analytical figures of merit, reflecting the lack of relevant isobaric interferences in the MS/MS domain, and were successfully applied to determine the levels of 25-hydroxyvitamin D for patients with chronic liver disease.

Use of a Designed Peptide Array To Infer Dissociation Trends for Nontryptic Peptides in Quadrupole Ion Trap and Quadrupole Time-of-Flight Mass Spectrometry

DOE PAGES

Gaucher, Sara P.; Morrow, Jeffrey A.; Faulon, Jean-Loup M.

2007-09-14

Observed peptide gas-phase fragmentation patterns are a complex function of many variables. In order to systematically probe this phenomenon, an array of 40 peptides was synthesized for study. The array of sequences was designed to hold certain variables (peptide length) constant and randomize or balance others (peptide amino acid distribution and position). A high-quality tandem mass spectrometry (MS/MS) data set was acquired for each peptide for all observed charge states on multiple MS instruments, quadrupole-time-of-flight and quadrupole ion trap. The data were analyzed as a function of total charge state and number of mobile protons. Previously known dissociation trends weremore » observed, validating our approach. In addition, the general influence of basic amino acids on dissociation could be determined because, in contrast to the more widely studied tryptic peptides, the amino acids H, K, and R were positionally distributed. Interestingly, our results suggest that cleavage at all basic amino acids is suppressed when a mobile proton is available. Cleavage at H becomes favored only under conditions where a partially mobile proton is present, a caveat to the previously reported trend of enhanced cleavage at H. In conclusion, all acquired data were used as a benchmark to determine how well these sequences would have been identified in a database search using a common algorithm, Mascot.« less

Redox Chemistry of Molybdenum Trioxide for Ultrafast Hydrogen-Ion Storage.

PubMed

Wang, Xianfu; Xie, Yiming; Tang, Kai; Wang, Chao; Yan, Chenglin

2018-05-11

Hydrogen ions are ideal charge carriers for rechargeable batteries due to their small ionic radius and wide availability. However, little attention has been paid to hydrogen-ion storage devices because they generally deliver relatively low Coulombic efficiency as a result of the hydrogen evolution reaction that occurs in an aqueous electrolyte. Herein, we successfully demonstrate that hydrogen ions can be electrochemically stored in an inorganic molybdenum trioxide (MoO 3 ) electrode with high Coulombic efficiency and stability. The as-obtained electrode exhibits ultrafast hydrogen-ion storage properties with a specific capacity of 88 mA hg -1 at an ultrahigh rate of 100 C. The redox reaction mechanism of the MoO 3 electrode in the hydrogen-ion cell was investigated in detail. The results reveal a conversion reaction of the MoO 3 electrode into H 0.88 MoO 3 during the first hydrogen-ion insertion process and reversible intercalation/deintercalation of hydrogen ions between H 0.88 MoO 3 and H 0.12 MoO 3 during the following cycles. This study reveals new opportunities for the development of high-power energy storage devices with lightweight elements. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Investigation of metal ligand affinities of atom transfer radical polymerization catalysts with a quadrupole ion trap.

PubMed

di Lena, Fabio; Matyjaszewski, Krzysztof

2009-11-07

An electrospray ionization mass spectrometer equipped with a quadrupole ion trap as the mass analyzer provided a powerful tool for the investigation of metal ligand affinities of catalysts for atom transfer radical polymerization. It allowed, in particular, (i) the identification, in a library of ligands, of the most stable, and thus active, copper catalysts; (ii) the assessment of the effects of the reaction medium on the relative stabilities of the catalyst complexes; and (iii) the evaluation of the influence of the nature of the ligand on both the complex halogenophilicity and the metal-ligand stabilities in the gas-phase.

Dynamic quadrupole interactions in semiconductors

NASA Astrophysics Data System (ADS)

Dang, Thien Thanh; Schell, Juliana; Lupascu, Doru C.; Vianden, Reiner

2018-04-01

The time differential perturbed angular correlation, TDPAC, technique has been used for several decades to study electric quadrupole hyperfine interactions in semiconductors such as dynamic quadrupole interactions (DQI) resulting from after-effects of the nuclear decay as well as static quadrupole interactions originating from static defects around the probe nuclei such as interstitial ions, stresses in the crystalline structure, and impurities. Nowadays, the quality of the available semiconductor materials is much better, allowing us to study purely dynamic interactions. We present TDPAC measurements on pure Si, Ge, GaAs, and InP as a function of temperature between 12 K and 110 K. The probe 111In (111Cd) was used. Implantation damage was recovered by thermal annealing. Si experienced the strongest DQI with lifetime, τg, increasing with rising temperature, followed by Ge. In contrast, InP and GaAs, which have larger band gaps and less electron concentration than Si and Ge in the same temperature range, presented no DQI. The results obtained also allow us to conclude that indirect band gap semiconductors showed the dynamic interaction, whereas the direct band gap semiconductors, restricted to GaAs and InP, did not.

SU-E-T-590: Optimizing Magnetic Field Strengths with Matlab for An Ion-Optic System in Particle Therapy Consisting of Two Quadrupole Magnets for Subsequent Simulations with the Monte-Carlo Code FLUKA

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

Baumann, K; Weber, U; Simeonov, Y

Purpose: Aim of this study was to optimize the magnetic field strengths of two quadrupole magnets in a particle therapy facility in order to obtain a beam quality suitable for spot beam scanning. Methods: The particle transport through an ion-optic system of a particle therapy facility consisting of the beam tube, two quadrupole magnets and a beam monitor system was calculated with the help of Matlab by using matrices that solve the equation of motion of a charged particle in a magnetic field and field-free region, respectively. The magnetic field strengths were optimized in order to obtain a circular andmore » thin beam spot at the iso-center of the therapy facility. These optimized field strengths were subsequently transferred to the Monte-Carlo code FLUKA and the transport of 80 MeV/u C12-ions through this ion-optic system was calculated by using a user-routine to implement magnetic fields. The fluence along the beam-axis and at the iso-center was evaluated. Results: The magnetic field strengths could be optimized by using Matlab and transferred to the Monte-Carlo code FLUKA. The implementation via a user-routine was successful. Analyzing the fluence-pattern along the beam-axis the characteristic focusing and de-focusing effects of the quadrupole magnets could be reproduced. Furthermore the beam spot at the iso-center was circular and significantly thinner compared to an unfocused beam. Conclusion: In this study a Matlab tool was developed to optimize magnetic field strengths for an ion-optic system consisting of two quadrupole magnets as part of a particle therapy facility. These magnetic field strengths could subsequently be transferred to and implemented in the Monte-Carlo code FLUKA to simulate the particle transport through this optimized ion-optic system.« less

Pyrolytic Carbon Nanosheets for Ultrafast and Ultrastable Sodium-Ion Storage.

PubMed

Cho, Se Youn; Kang, Minjee; Choi, Jaewon; Lee, Min Eui; Yoon, Hyeon Ji; Kim, Hae Jin; Leal, Cecilia; Lee, Sungho; Jin, Hyoung-Joon; Yun, Young Soo

2018-04-01

Na-ion cointercalation in the graphite host structure in a glyme-based electrolyte represents a new possibility for using carbon-based materials (CMs) as anodes for Na-ion storage. However, local microstructures and nanoscale morphological features in CMs affect their electrochemical performances; they require intensive studies to achieve high levels of Na-ion storage performances. Here, pyrolytic carbon nanosheets (PCNs) composed of multitudinous graphitic nanocrystals are prepared from renewable bioresources by heating. In particular, PCN-2800 prepared by heating at 2800 °C has a distinctive sp 2 carbon bonding nature, crystalline domain size of ≈44.2 Å, and high electrical conductivity of ≈320 S cm -1 , presenting significantly high rate capability at 600 C (60 A g -1 ) and stable cycling behaviors over 40 000 cycles as an anode for Na-ion storage. The results of this study show the unusual graphitization behaviors of a char-type carbon precursor and exceptionally high rate and cycling performances of the resulting graphitic material, PCN-2800, even surpassing those of supercapacitors. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Phenolic profiling of the skin, pulp and seeds of Albariño grapes using hybrid quadrupole time-of-flight and triple-quadrupole mass spectrometry.

PubMed

Di Lecce, Giuseppe; Arranz, Sara; Jáuregui, Olga; Tresserra-Rimbau, Anna; Quifer-Rada, Paola; Lamuela-Raventós, Rosa M

2014-02-15

This paper describes for the first time a complete characterisation of the phenolic compounds in different anatomical parts of the Albariño grape. The application of high-performance liquid chromatography coupled with two complementary techniques, hybrid quadrupole time-of-flight and triple-quadrupole mass spectrometry, allowed the phenolic composition of the Albariño grape to be unambiguously identified and quantified. A more complete phenolic profile was obtained by product ion and precursor ion scans, while a neutral loss scan at 152 u enabled a fast screening of procyanidin dimers, trimers and their galloylated derivatives. The compounds were confirmed by accurate mass measurements in QqToF-MS and QqToF-MS/MS modes at high resolution, and good fits were obtained for all investigated ions, with errors ranging from 0.2 to 4.5 mDa. To the best of our knowledge, two flavanol monomer hexosides were detected in the grape berry for the first time. Copyright © 2013 Elsevier Ltd. All rights reserved.

Design and development of a radio frequency quadrupole linac postaccelerator for the Variable Energy Cyclotron Center rare ion beam project.

PubMed

Dechoudhury, S; Naik, V; Mondal, M; Chatterjee, A; Pandey, H K; Mandi, T K; Bandyopadhyay, A; Karmakar, P; Bhattacharjee, S; Chouhan, P S; Ali, S; Srivastava, S C L; Chakrabarti, A

2010-02-01

A four-rod type heavy-ion radio frequency quadrupole (RFQ) linac has been designed, constructed, and tested for the rare ion beam (RIB) facility project at VECC. Designed for cw operation, this RFQ is the first postaccelerator in the RIB beam line. It will accelerate A/q < or = 14 heavy ions coming from the ion source to the energy of around 100 keV/u for subsequent acceleration in a number of Interdigital H-Linac. Operating at a resonance frequency of 37.83 MHz, maximum intervane voltage of around 54 kV will be needed to achieve the final energy over a vane length of 3.12 m for a power loss of 35 kW. In the first beam tests, transmission efficiency of about 90% was measured at the QQ focus after the RFQ for O(5+) beam. In this article the design of the RFQ including the effect of vane modulation on the rf characteristics and results of beam tests will be presented.

Low-frequency quadrupole impedance of undulators and wigglers

DOE PAGES

Blednykh, A.; Bassi, G.; Hidaka, Y.; ...

2016-10-25

An analytical expression of the low-frequency quadrupole impedance for undulators and wigglers is derived and benchmarked against beam-based impedance measurements done at the 3 GeV NSLS-II storage ring. The adopted theoretical model, valid for an arbitrary number of electromagnetic layers with parallel geometry, allows to calculate the quadrupole impedance for arbitrary values of the magnetic permeability μ r. Here, in the comparison of the analytical results with the measurements for variable magnet gaps, two limit cases of the permeability have been studied: the case of perfect magnets (μ r → ∞), and the case in which the magnets are fullymore » saturated (μ r = 1).« less

Targeted Proteomic Quantification on Quadrupole-Orbitrap Mass Spectrometer*

PubMed Central

Gallien, Sebastien; Duriez, Elodie; Crone, Catharina; Kellmann, Markus; Moehring, Thomas; Domon, Bruno

2012-01-01

There is an immediate need for improved methods to systematically and precisely quantify large sets of peptides in complex biological samples. To date protein quantification in biological samples has been routinely performed on triple quadrupole instruments operated in selected reaction monitoring mode (SRM), and two major challenges remain. Firstly, the number of peptides to be included in one survey experiment needs to be increased to routinely reach several hundreds, and secondly, the degree of selectivity should be improved so as to reliably discriminate the targeted analytes from background interferences. High resolution and accurate mass (HR/AM) analysis on the recently developed Q-Exactive mass spectrometer can potentially address these issues. This instrument presents a unique configuration: it is constituted of an orbitrap mass analyzer equipped with a quadrupole mass filter as the front-end for precursor ion mass selection. This configuration enables new quantitative methods based on HR/AM measurements, including targeted analysis in MS mode (single ion monitoring) and in MS/MS mode (parallel reaction monitoring). The ability of the quadrupole to select a restricted m/z range allows one to overcome the dynamic range limitations associated with trapping devices, and the MS/MS mode provides an additional stage of selectivity. When applied to targeted protein quantification in urine samples and benchmarked with the reference SRM technique, the quadrupole-orbitrap instrument exhibits similar or better performance in terms of selectivity, dynamic range, and sensitivity. This high performance is further enhanced by leveraging the multiplexing capability of the instrument to design novel acquisition methods and apply them to large targeted proteomic studies for the first time, as demonstrated on 770 tryptic yeast peptides analyzed in one 60-min experiment. The increased quality of quadrupole-orbitrap data has the potential to improve existing protein

New perspectives in laser analytics: Resonance-enhanced multiphoton ionization in a Paul ion trap combined with a time-of-flight mass spectrometer

NASA Astrophysics Data System (ADS)

Bisling, Peter; Heger, Hans Jörg; Michaelis, Walfried; Weitkamp, Claus; Zobel, Harald

1995-04-01

A new laser analytical device has been developed that is based on resonance-enhanced multiphoton ionization in the very center of a radio-frequency quadrupole ion trap. Applications in speciation anlaysis of biological and enviromental samples and in materials science will all benefit from laser-optical selectivity in the resonance excitation process, combined with mass-spectropic sensivity which is further enhanced by the ion accumulation and storage capability.

Inductively coupled plasma mass spectrometer with axial field in a quadrupole reaction cell.

PubMed

Bandura, Dmitry R; Baranov, Vladimir I; Tanner, Scott D

2002-10-01

A novel reaction cell for ICP-MS with an electric field provided inside the quadrupole along its axis is described. The field is implemented via a DC bias applied to additional auxiliary electrodes inserted between the rods of the quadrupole. The field reduces the settling time of the pressurized quadrupole when its mass bandpass is dynamically tuned. It also improves the transmission of analyte ions. It is shown that for the pressurized cell with the field activated, the recovery time for a change in quadrupole operating parameters is reduced to <4 ms, which allows fast tuning of the mass bandpass in concert with and at the speed of the analyzing quadrupole. When the cell is operated with ammonia, the field reduces ion-ammonia cluster formation, further enhancing the transmission of atomic ions that have a high cluster formation rate. Ni x (NH3)n+ cluster formation in a cell operated with a wide bandpass (i.e., Ni+ precursors are stable in the cell) is shown to be dependent on the axial field strength. Clusters at n = 2-4 can be suppressed by 9, 1200, and >610 times, respectively. The use of a retarding axial field for in-situ energy discrimination against cluster and polyatomic ions is shown. When the cell is pressurized with O2 for suppression of 129Xe+, the formation of 127IH2+ by reactions with gas impurities limits the detection of 129I to isotopic abundance of approximately 10(-6). In-cell energy discrimination against 127IH2+ utilizing a retarding axial field is shown to reduce the abundance of the background at m/z = 129 to ca. 3 x 10(-8) of the 127I+ signal. In-cell energy discrimination against 127IH2+ is shown to cause less I+ loss than a post-cell potential energy barrier for the same degree of 127IH2+ suppression.

Sodium-ion hybrid electrolyte battery for sustainable energy storage applications

NASA Astrophysics Data System (ADS)

Senthilkumar, S. T.; Abirami, Mari; Kim, Junsoo; Go, Wooseok; Hwang, Soo Min; Kim, Youngsik

2017-02-01

Sustainable, safe, and low-cost energy storage systems are essential for large-scale electrical energy storage. Herein, we report a sodium (Na)-ion hybrid electrolyte battery with a replaceable cathode system, which is separated from the Na metal anode by a Na superionic conducting ceramic. By using a fast Na-ion-intercalating nickel hexacyanoferrate (NiHCF) cathode along with an eco-friendly seawater catholyte, we demonstrate good cycling performance with an average discharge voltage of 3.4 V and capacity retention >80% over 100 cycles and >60% over 200 cycle. Remarkably, such high capacity retention is observed for both the initial as well as replaced cathodes. Moreover, a Na-metal-free hybrid electrolyte battery containing hard carbon as the anode exhibits an energy density of ∼146 Wh kg-1 at a current density of 10 mA g-1, which is comparable to that of lead-acid batteries and much higher than that of conventional aqueous Na-ion batteries. These results pave the way for further advances in sustainable energy storage technology.

Weak quadrupole moments

NASA Astrophysics Data System (ADS)

Lackenby, B. G. C.; Flambaum, V. V.

2018-07-01

We introduce the weak quadrupole moment (WQM) of nuclei, related to the quadrupole distribution of the weak charge in the nucleus. The WQM produces a tensor weak interaction between the nucleus and electrons and can be observed in atomic and molecular experiments measuring parity nonconservation. The dominating contribution to the weak quadrupole is given by the quadrupole moment of the neutron distribution, therefore, corresponding experiments should allow one to measure the neutron quadrupoles. Using the deformed oscillator model and the Schmidt model we calculate the quadrupole distributions of neutrons, Q n , the WQMs, {Q}W(2), and the Lorentz invariance violating energy shifts in 9Be, 21Ne, 27Al, 131Xe, 133Cs, 151Eu, 153Eu, 163Dy, 167Er, 173Yb, 177Hf, 179Hf, 181Ta, 201Hg and 229Th.

Enhancing Near Zero Volt Storage Tolerance of Lithium-ion Batteries

NASA Astrophysics Data System (ADS)

Crompton, Kyle R.

There are inherent safety risks associated with inactive lithium ion batteries leading to greater restrictions and regulations on shipping and storage. Maintaining all cells of a lithium ion battery at near zero voltage with an applied fixed resistive load is one promising approach which can lessen (and potentially eliminate) the risk of a lithium ion battery entering thermal runaway when in an inactive state. However, in a conventional lithium ion cell, a near zero cell voltage can be damaging if the anode electrochemical potential increases to greater than the potential where dissolution of the standard copper current collector occurs (i.e. 3.1 V vs. Li/Li+ at room temperature). Past approaches to yield lithium ion cells that are resilient to a near zero volt state of charge involve use of secondary active materials or alternative current collectors which have anticipated tradeoffs in terms of cell performance and cost. In the the present dissertation work the approach of managing the amount of reversible lithium in a cell during construction to prevent the anode potential from increasing to greater than 3.1 V vs. Li/Li+ during near zero volt storage is introduced. Anode pre-lithiation was used in LiCoO 2/MCMB pouch cells to appropriately manage the amount of reversible lithium so that there is excess reversible lithium compared to the cathodes intercalation capacity (reversible lithium excess cell or RLE cell). RLE LiCoO 2/MCMB cells maintained 99% of their original capacity after three, 3-day and three, 7-day storage periods at near zero volts under fixed load. A LiCoO2/MCMB pouch cell fabricated with a pre-lithiated anode also maintained its original discharge performance after three, 3-day storage periods under fixed load at 45°C. The strong recharge performance after near zero volt storage is attributed to the anode potential remaining below the copper dissolution potential during near zero volt storage as informed by reference electrode measurements. Pulse

Applicability of hybrid linear ion trap-high resolution mass spectrometry and quadrupole-linear ion trap-mass spectrometry for mycotoxin analysis in baby food.

PubMed

Rubert, Josep; James, Kevin J; Mañes, Jordi; Soler, Carla

2012-02-03

Recent developments in mass spectrometers have created a paradoxical situation; different mass spectrometers are available, each of them with their specific strengths and drawbacks. Hybrid instruments try to unify several advantages in one instrument. In this study two of wide-used hybrid instruments were compared: hybrid quadrupole-linear ion trap-mass spectrometry (QTRAP®) and the hybrid linear ion trap-high resolution mass spectrometry (LTQ-Orbitrap®). Both instruments were applied to detect the presence of 18 selected mycotoxins in baby food. Analytical parameters were validated according to 2002/657/CE. Limits of quantification (LOQs) obtained by QTRAP® instrument ranged from 0.45 to 45 μg kg⁻¹ while lower limits of quantification (LLOQs) values were obtained by LTQ-Orbitrap®: 7-70 μg kg⁻¹. The correlation coefficients (r) in both cases were upper than 0.989. These values highlighted that both instruments were complementary for the analysis of mycotoxin in baby food; while QTRAP® reached best sensitivity and selectivity, LTQ-Orbitrap® allowed the identification of non-target and unknowns compounds. Copyright © 2011 Elsevier B.V. All rights reserved.

Buffer layer enhanced stability of sodium-ion storage

NASA Astrophysics Data System (ADS)

Wang, Xusheng; Yang, Zhanhai; Wang, Chao; Chen, Dong; Li, Rui; Zhang, Xinxiang; Chen, Jitao; Xue, Mianqi

2017-11-01

Se-Se buffer layers are introduced into tin sequences as SnSe2 single crystal to enhance the cycling stability for long-term sodium-ion storage by blazing a trail of self-defence strategy to structural pulverization especially at high current density. Specifically, under half-cell test, the SnSe2 electrodes could yield a high discharge capacity of 345 mAh g-1 after 300 cycles at 1 A g-1 and a high discharge capacity of 300 mAh g-1 after 2100 cycles at 5 A g-1 with stable coulombic efficiency and no capacity fading. Even with the ultrafast sodium-ion storage at 10 A g-1, the cycling stability still makes a positive response and a high discharge capacity of 221 mAh g-1 is demonstrated after 2700 cycles without capacity fading. The full-cell test for the SnSe2 electrodes also demonstrates the superior cycling stability. The flexible and tough Se-Se buffer layers are favourable to accommodate the sodium-ion intercalation process, and the autogenous Na2Se layers could confine the structural pulverization of further sodiated tin sequences by the slip along the Na2Se-NaxSn interfaces.

The KACST Heavy-Ion Electrostatic Storage Ring

NASA Astrophysics Data System (ADS)

Almuqhim, A. A.; Alshammari, S. M.; El Ghazaly, M. O. A.; Papash, A. I.; Welsch, C. P.

2011-10-01

A novel Electrostatic Storage Ring (ESR) for beams at energies up to 30keV/q is now being constructed at the National Centre for Mathematics and Physics (NCMP), King Abdul-Aziz City for Science and Technology (KACST). The ring is designed to be the core of a highly flexible experimental platform that will combine a large package of complementary beam techniques for atomic and molecular physics and related fields. The lattice design had to cover the different experimental techniques that the ring will be equipped with, such as e.g. Electron-Ion, Laser-Ion, Ion-Ion or Ion-Neutral beams, in both crossed and merged-beam configurations. The development of such an ESR is realized in a staged approach, in which a simple and early-run adaptation of the ring is built first, and then this basic version is upgraded to a higher symmetry of the ultimate version of the ring. Here, we report a general overview of this technical development with a focus on the layout of the first built stage of the ring.

The KACST Heavy-Ion Electrostatic Storage Ring

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

Almuqhim, A. A.; Alshammari, S. M.; El Ghazaly, M. O. A.

2011-10-27

A novel Electrostatic Storage Ring (ESR) for beams at energies up to 30keV/q is now being constructed at the National Centre for Mathematics and Physics (NCMP), King Abdul-Aziz City for Science and Technology (KACST). The ring is designed to be the core of a highly flexible experimental platform that will combine a large package of complementary beam techniques for atomic and molecular physics and related fields. The lattice design had to cover the different experimental techniques that the ring will be equipped with, such as e.g. Electron-Ion, Laser-Ion, Ion-Ion or Ion-Neutral beams, in both crossed and merged-beam configurations. The developmentmore » of such an ESR is realized in a staged approach, in which a simple and early-run adaptation of the ring is built first, and then this basic version is upgraded to a higher symmetry of the ultimate version of the ring. Here, we report a general overview of this technical development with a focus on the layout of the first built stage of the ring.« less

Ion Storage Tests with the High Performance Antimatter Trap (HiPAT)

NASA Technical Reports Server (NTRS)

Martin, James J.; Lewis, Raymond A.; Chakrabarti, Suman; Pearson, Boise; Schafer, Charles (Technical Monitor)

2002-01-01

The NASA/Marshall Space Flight Centers (NASA/MSFC) Propulsion Research Center (PRC) is evaluating an antiproton storage system, referred to as the High Performance Antiproton Trap (HiPAT). This interest stems from the sheer energy represented by matter/antimatter annihilation process with has an energy density approximately 10 order of magnitude above that of chemical propellants. In other terms, one gram of antiprotons contains the equivalent energy of approximately 23 space shuttle external tanks or ET's (each ET contains roughly 740,000 kgs of fuel and oxidizer). This incredible source of stored energy, if harnessed, would be an enabling technology for deep space mission where both spacecraft weight and propulsion performance are key to satisfying aggressive mission requirements. The HiPAT hardware consists of a 4 Tesla superconductor system, an ultra high vacuum test section (vacuum approaching 10(exp -12) torr), and a high voltage confinement electrode system (up to 20 kvolts operation). The current laboratory layout is illustrated. The HiPAT designed objectives included storage of up to 1 trillion antiprotons with corresponding lifetimes approaching 18 days. To date, testing has centered on the storage of positive hydrogen ions produced in situ by a stream of high-energy electrons that passes through the trapping region. However, due to space charge issues and electron beam compression as it passes through the HiPAT central field, current ion production is limited to less then 50,000 ions. Ion lifetime was determined by counting particle populations at the end of various storage time intervals. Particle detection was accomplished by destructively expelling the ions against a micro-channel plate located just outside the traps magnetic field. The effect of radio frequency (RF) stabilization on the lifetime of trapped particles was also examined. This technique, referred to as a rotating wall, made use of a segmented electrode located near the center of the trap

Differentiation of regioisomeric aromatic ketocarboxylic acids by atmospheric pressure chemical ionization CAD tandem mass spectrometry in a linear quadrupole ion trap mass spectrometer

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

Amundson, Lucas M.; Owen, Ben C.; Gallardo, Vanessa A.

2011-01-01

Positive-mode atmospheric pressure chemical ionization tandem mass spectrometry (APCI-MS n ) was tested for the differentiation of regioisomeric aromatic ketocarboxylic acids. Each analyte forms exclusively an abundant protonated molecule upon ionization via positive-mode APCI in a commercial linear quadrupole ion trap (LQIT) mass spectrometer. Energy-resolved collision-activated dissociation (CAD) experiments carried out on the protonated analytes revealed fragmentation patterns that varied based on the location of the functional groups. Unambiguous differentiation between the regioisomers was achieved in each case by observing different fragmentation patterns, different relative abundances of ion-molecule reaction products, or different relative abundances of fragment ions formed at differentmore » collision energies. The mechanisms of some of the reactions were examined by H/D exchange reactions and molecular orbital calculations.« less

Effective Interlayer Engineering of Two-Dimensional VOPO4 Nanosheets via Controlled Organic Intercalation for Improving Alkali Ion Storage.

PubMed

Peng, Lele; Zhu, Yue; Peng, Xu; Fang, Zhiwei; Chu, Wangsheng; Wang, Yu; Xie, Yujun; Li, Yafei; Cha, Judy J; Yu, Guihua

2017-10-11

Two-dimensional (2D) energy materials have shown the promising electrochemical characteristics for lithium ion storage. However, the decreased active surfaces and the sluggish charge/mass transport for beyond-lithium ion storage that has potential for large-scale energy storage systems, such as sodium or potassium ion storage, caused by the irreversible restacking of 2D materials during electrode processing remain a major challenge. Here we develop a general interlayer engineering strategy to address the above-mentioned challenges by using 2D ultrathin vanadyl phosphate (VOPO 4 ) nanosheets as a model material for challenging sodium ion storage. Via controlled intercalation of organic molecules, such as triethylene glycol and tetrahydrofuran, the sodium ion transport in VOPO 4 nanosheets has been significantly improved. In addition to advanced characterization including X-ray diffraction, high-resolution transmission electron microscopy, and X-ray absorption fine structure to characterize the interlayer and the chemical bonding/configuration between the organic intercalants and the VOPO 4 host layers, density functional theory calculations are also performed to understand the diffusion behavior of sodium ions in the pure and TEG intercalated VOPO 4 nanosheets. Because of the expanded interlayer spacing in combination with the decreased energy barriers for sodium ion diffusion, intercalated VOPO 4 nanosheets show much improved sodium ion transport kinetics and greatly enhanced rate capability and cycling stability for sodium ion storage. Our results afford deeper understanding of the interlayer-engineering strategy to improve the sodium ion storage performance of the VOPO 4 nanosheets. Our results may also shed light on possible multivalent-ion based energy storage such as Mg 2+ and Al 3+ .

Excess Li-Ion Storage on Reconstructed Surfaces of Nanocrystals To Boost Battery Performance

DOE PAGES

Duan, Yandong; Zhang, Bingkai; Zheng, Jiaxin; ...

2017-08-03

Because of their enhanced kinetic properties, nanocrystallites have received much attention as potential electrode materials for energy storage. However, because of the large specific surface areas of nanocrystallites, they usually suffer from decreased energy density, cycling stability, and effective electrode capacity. Here, in this work, we report a size-dependent excess capacity beyond theoretical value (170 mA h g -1) by introducing extra lithium storage at the reconstructed surface in nanosized LiFePO 4 (LFP) cathode materials (186 and 207 mA h g -1 in samples with mean particle sizes of 83 and 42 nm, respectively). Moreover, this LFP composite also showsmore » excellent cycling stability and high rate performance. Our multimodal experimental characterizations and ab initio calculations reveal that the surface extra lithium storage is mainly attributed to the charge passivation of Fe by the surface C–O–Fe bonds, which can enhance binding energy for surface lithium by compensating surface Fe truncated symmetry to create two types of extra positions for Li-ion storage at the reconstructed surfaces. Such surface reconstruction nanotechnology for excess Li-ion storage makes full use of the large specific surface area of the nanocrystallites, which can maintain the fast Li-ion transport and greatly enhance the capacity. Finally, this discovery and nanotechnology can be used for the design of high-capacity and efficient lithium ion batteries.« less

Excess Li-Ion Storage on Reconstructed Surfaces of Nanocrystals To Boost Battery Performance

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

Duan, Yandong; Zhang, Bingkai; Zheng, Jiaxin

Because of their enhanced kinetic properties, nanocrystallites have received much attention as potential electrode materials for energy storage. However, because of the large specific surface areas of nanocrystallites, they usually suffer from decreased energy density, cycling stability, and effective electrode capacity. Here, in this work, we report a size-dependent excess capacity beyond theoretical value (170 mA h g -1) by introducing extra lithium storage at the reconstructed surface in nanosized LiFePO 4 (LFP) cathode materials (186 and 207 mA h g -1 in samples with mean particle sizes of 83 and 42 nm, respectively). Moreover, this LFP composite also showsmore » excellent cycling stability and high rate performance. Our multimodal experimental characterizations and ab initio calculations reveal that the surface extra lithium storage is mainly attributed to the charge passivation of Fe by the surface C–O–Fe bonds, which can enhance binding energy for surface lithium by compensating surface Fe truncated symmetry to create two types of extra positions for Li-ion storage at the reconstructed surfaces. Such surface reconstruction nanotechnology for excess Li-ion storage makes full use of the large specific surface area of the nanocrystallites, which can maintain the fast Li-ion transport and greatly enhance the capacity. Finally, this discovery and nanotechnology can be used for the design of high-capacity and efficient lithium ion batteries.« less

Rapid Quantification of Four Anthocyanins in Red Grape Wine by Hydrophilic Interaction Liquid Chromatography/Triple Quadrupole Linear Ion Trap Mass Spectrometry.

PubMed

Sun, Yongming; Xia, Biqi; Chen, Xiangzhun; Duanmu, Chuansong; Li, Denghao; Han, Chao

2015-01-01

The identification and quantification of four anthocyanins (cyanidin-3-O-glucoside, peonidin-3-O-glucoside, delphinidin-3-O-glucoside, and malvidin-3-O-glucoside) in red grape wine were carried out by hydrophilic interaction liquid chromatography/triple quadrupole linear ion trap MS (HILIC/QTrap-MS/MS). Samples were diluted directly and separated on a Merck ZIC HILIC column with 20 mM ammonium acetate solution-acetonitrile mobile phase. Quantitative data acquisition was carried out in the multiple reaction monitoring mode. Additional identification and confirmation of target compounds were performed using the enhanced product ion mode of the linear ion trap. The LOQs were in the range 0.05-1.0 ng/mL. The average recoveries were in the range 94.6 to 104.5%. The HILIC/QTrap-MS/MS platform offers the best sensitivity and specificity for characterization and quantitative determination of the four anthocyanins in red grape wines and fulfills the quality criteria for routine laboratory application.

Transverse-rapidity yt dependence of the nonjet azimuth quadrupole from 62- and 200-GeV Au-Au collisions

NASA Astrophysics Data System (ADS)

Kettler, David T.; Prindle, Duncan J.; Trainor, Thomas A.

2015-06-01

Previous measurements of a quadrupole component of azimuth correlations denoted by symbol v2 have been interpreted to represent elliptic flow, a hydrodynamic phenomenon conjectured to play a major role in noncentral nucleus-nucleus collisions. v2 measurements provide the main support for conclusions that a "perfect liquid" is formed in heavy-ion collisions at the Relativistic Heavy Ion Collider. However, conventional v2 methods based on one-dimensional (1D) azimuth correlations give inconsistent results and may include a jet contribution. In some cases the data trends appear to be inconsistent with hydrodynamic interpretations. In this study we distinguish several components of 2D angular correlations and isolate a nonjet (NJ) azimuth quadrupole denoted by v2{2D} . We establish systematic variations of the NJ quadrupole on yt, centrality, and collision energy. We adopt transverse-rapidity yt as both a velocity measure and a logarithmic alternative to transverse momentum pt. Based on NJ-quadrupole trends, we derive a completely factorized universal parametrization of quantity v2{2D} (yt,b ,√{sN N}) which describes the centrality, yt, and energy dependence. From yt-differential v2(yt) data we isolate a quadrupole spectrum and infer a quadrupole source boost having unexpected properties. NJ quadrupole v2 trends obtained with 2D model fits are remarkably simple. The centrality trend appears to be uncorrelated with a sharp transition in jet-related structure that may indicate rapid change of Au-Au medium properties. The lack of correspondence suggests that the NJ quadrupole may be insensitive to such a medium. Several quadrupole trends have interesting implications for hydro interpretations.

Ion Storage with the High Performance Antiproton Trap (HiPAT)

NASA Technical Reports Server (NTRS)

Martin, James; Lewis, Raymond; Chakrabarti, Suman; Pearson, Boise

2002-01-01

The matter antimatter reaction represents the densest form of energy storage/release known to modern physics: as such it offers one of the most compact sources of power for future deep space exploration. To take the first steps along this path, NASA-Marshall Space Flight Center is developing a storage system referred to as the High Performance Antiproton Trap (HiPAT) with a goal of maintaining 10(exp 12) particles for up to 18 days. Experiments have been performed with this hardware using normal matter (positive hydrogen ions) to assess the device's ability to hold charged particles. These ions are currently created using an electron gun method to ionize background gas; however, this technique is limited by the quantity that can be captured. To circumvent this issue, an ion source is currently being commissioned which will greatly increase the number of ions captured and more closely simulate actual operations expected at an antiproton production facility. Ions have been produced, stored for various time intervals, and then extracted against detectors to measure species, quantity and energy. Radio frequency stabilization has been tested as a method to prolong ion lifetime: results show an increase in the baseline 1/e lifetime of trapped particles from hours to days. Impurities in the residual background gas (typically carbon-containing species CH4, CO, CO2, etc.) present a continuing problem by reducing the trapped hydrogen population through the mechanism of ion charge exchange.

Quadrupole and octupole shapes in nuclei

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

Cline, D.

1993-12-31

The heavy-ion multiple Coulomb excitation technique, which has benefited from many important contributions by Dick Diamond, has developed to the stage where rather complete sets of E1, E2 and E3 matrix elements are being measured. These provide a sensitive measures of quadrupole and octupole deformation in nuclei. The completeness of the E2 data is sufficient to determine directly the centroids and fluctuation widths of the E2 properties in the principal axis frame for low-lying states. The results and model implications of recent Coulomb excitation measurements of the quadrupole shapes in odd and even A nuclei will be presented. Recent measurementsmore » of E1, E2 and E3 matrix elements for collective bands in N=88 and Z=88 nuclei show that octupole correlations play an important role. These results and the implications regarding octupole deformation and reflection asymmetry will be discussed.« less

Low energy ion beam dynamics of NANOGAN ECR ion source

NASA Astrophysics Data System (ADS)

Kumar, Sarvesh; Mandal, A.

2016-04-01

A new low energy ion beam facility (LEIBF) has been developed for providing the mass analyzed highly charged intense ion beams of energy ranging from a few tens of keV to a few MeV for atomic, molecular and materials sciences research. The new facility consists of an all permanent magnet 10 GHz electron cyclotron resonance (ECR) ion source (NANOGAN) installed on a high voltage platform (400 kV) which provides large currents of multiply charged ion beams. Higher emittance at low energy of intense ion beam puts a tremendous challenge to the beam optical design of this facility. The beam line consists of mainly the electrostatic quadrupoles, an accelerating section, analyzing cum switching magnet and suitable beam diagnostics including vacuum components. The accelerated ion beam is analyzed for a particular mass to charge (m/q) ratio as well as guided to three different lines along 75°, 90° and 105° using a large acceptance analyzing cum switching magnet. The details of transverse beam optics to all the beam lines with TRANSPORT and GICOSY beam optics codes are being described. Field computation code, OPERA 3D has been utilized to design the magnets and electrostatic quadrupoles. A theoretical estimation of emittance for optimized geometry of ion source is given so as to form the basis of beam optics calculations. The method of quadrupole scan of the beam is used to characterize the emittance of the final beam on the target. The measured beam emittance increases with m/q ratios of various ion beams similar to the trend observed theoretically.

An effect of nuclear electric quadrupole moments in thermonuclear fusion plasmas

NASA Technical Reports Server (NTRS)

De, B. R.; Srnka, L. J.

1978-01-01

Consideration of the nuclear electric quadrupole terms in the expression for the fusion Coulomb barrier suggests that this electrostatic barrier may be substantially modified from that calculated under the usual plasma assumption that the nuclei are electric monopoles. This effect is a result of the nonspherical potential shape and the spatial quantization of the nuclear spins of the fully stripped ions in the presence of a magnetic field. For monopole-quadrupole fuel cycles like p-B-11, the fusion cross-section may be substantially increased at low energies if the protons are injected at a small angle relative to the confining magnetic field.

Mass peak shape improvement of a quadrupole mass filter when operating with a rectangular wave power supply.

PubMed

Luo, Chan; Jiang, Dan; Ding, Chuan-Fan; Konenkov, Nikolai V

2009-09-01

Numeric experiments were performed to study the first and second stability regions and find the optimal configurations of a quadrupole mass filter constructed of circular quadrupole rods with a rectangular wave power supply. The ion transmission contours were calculated using ion trajectory simulations. For the first stability region, the optimal rod set configuration and the ratio r/r(0) is 1.110-1.115; for the second stability region, it is 1.128-1.130. Low-frequency direct current (DC) modulation with the parameters of m = 0.04-0.16 and nu = omega/Omega = 1/8-1/14 improves the mass peak shape of the circular rod quadrupole mass filter at the optimal r/r(0) ratio of 1.130. The amplitude modulation does not improve mass peak shape. Copyright (c) 2009 John Wiley & Sons, Ltd.

Analyzing system safety in lithium-ion grid energy storage

DOE PAGES

Rosewater, David; Williams, Adam

2015-10-08

As grid energy storage systems become more complex, it grows more di cult to design them for safe operation. This paper first reviews the properties of lithium-ion batteries that can produce hazards in grid scale systems. Then the conventional safety engineering technique Probabilistic Risk Assessment (PRA) is reviewed to identify its limitations in complex systems. To address this gap, new research is presented on the application of Systems-Theoretic Process Analysis (STPA) to a lithium-ion battery based grid energy storage system. STPA is anticipated to ll the gaps recognized in PRA for designing complex systems and hence be more e ectivemore » or less costly to use during safety engineering. It was observed that STPA is able to capture causal scenarios for accidents not identified using PRA. Additionally, STPA enabled a more rational assessment of uncertainty (all that is not known) thereby promoting a healthy skepticism of design assumptions. Lastly, we conclude that STPA may indeed be more cost effective than PRA for safety engineering in lithium-ion battery systems. However, further research is needed to determine if this approach actually reduces safety engineering costs in development, or improves industry safety standards.« less

Analyzing system safety in lithium-ion grid energy storage

NASA Astrophysics Data System (ADS)

Rosewater, David; Williams, Adam

2015-12-01

As grid energy storage systems become more complex, it grows more difficult to design them for safe operation. This paper first reviews the properties of lithium-ion batteries that can produce hazards in grid scale systems. Then the conventional safety engineering technique Probabilistic Risk Assessment (PRA) is reviewed to identify its limitations in complex systems. To address this gap, new research is presented on the application of Systems-Theoretic Process Analysis (STPA) to a lithium-ion battery based grid energy storage system. STPA is anticipated to fill the gaps recognized in PRA for designing complex systems and hence be more effective or less costly to use during safety engineering. It was observed that STPA is able to capture causal scenarios for accidents not identified using PRA. Additionally, STPA enabled a more rational assessment of uncertainty (all that is not known) thereby promoting a healthy skepticism of design assumptions. We conclude that STPA may indeed be more cost effective than PRA for safety engineering in lithium-ion battery systems. However, further research is needed to determine if this approach actually reduces safety engineering costs in development, or improves industry safety standards.

Eight piece quadrupole magnet, method for aligning quadrupole magent pole tips

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

Jaski, Mark S.; Liu, Jie; Donnelly, Aric T.

The invention provides an alternative to the standard 2-piece or 4-piece quadrupole. For example, an 8-piece and a 10-piece quadrupole are provided whereby the tips of each pole may be adjustable. Also provided is a method for producing a quadrupole using standard machining techniques but which results in a final tolerance accuracy of the resulting construct which is better than that obtained using standard machining techniques.

Screening and identification of steroidal saponins from Anemarrhena asphodeloides employing UPLC tandem triple quadrupole linear ion trap mass spectrometry.

PubMed

Xia, Yong-Gang; Guo, Xin-Dong; Liang, Jun; Yang, Bing-You; Kuang, Hai-Xue

2017-09-01

This study presents a practical and valid strategy for the screening and structural characterization of Anemarrhena asphodeloides Bge steroidal saponins (SSs) using ultra-high performance liquid chromatography coupled with triple quadrupole linear ion trap mass spectrometry. The whole analytical protocols integrate four-step procedures in the positive mode: (1) rational deduction of mass fragmentation pathways of A. asphodeloides SSs; (2) untargeted screening of potential A. asphodeloides SSs by multiple-ion monitoring-information-dependent-acquiring-enhanced product ion (MIM-IDA-EPI) scan through reverse phase liquid chromatography; (3) comprehensive construction of an ammoniated precursor ion database by combining untargeted MIM-IDA-EPI scans and data literature; and (4) structural interpretation of targeted A. asphodeloides SSs using MIM-IDA-EPI and multiple reaction monitoring (MRM)-IDA-EPI with an energy-resolved technique. The protocols were used to analyze SSs in A. asphodeloides; of the 87 detected SSs that were unambiguously characterized or tentatively identified, 19 compounds were the first to be reported from A. asphodeloides and 13 ones were characterized as potential new compounds. Accuracy of the analytical procedure was demonstrated by structural identification of three SSs by NMR spectroscopy. The proposed schemes hold an excellent promise in the structural prediction and interpretation of complex SSs from plant medicines by mass spectrometry. Copyright © 2017 Elsevier Inc. All rights reserved.

Dynamics of charged particles in a Paul radio-frequency quadrupole trap

NASA Technical Reports Server (NTRS)

Prestage, J. D.; Williams, A.; Maleki, L.; Djomehri, M. J.; Harabetian, E.

1991-01-01

A molecular-dynamics simulation of hundreds of ions confined in a Paul trap has been performed. The simulation includes the trapped particles' micromotion and interparticle Coulomb interactions. A random walk in velocity was implemented to bring the secular motion to a given temperature which was numerically measured. When the coupling Gamma is large the ions from concentric shells which undergo a quadrupole oscillation at the RF frequency, while the ions within a shell form a 2D hexagonal lattice. Ion clouds at 5 mK show no RF heating for q(z) less than about 0.6, whereas rapid heating is seen for qz = 0.8.

Designing of a Quadrupole Paul Ion Trap

NASA Astrophysics Data System (ADS)

Kiyani, Abouzar; Abdollahzadeh, M.; Sadat Kiai, S. M.; Zirak, A. R.

2011-08-01

The ion motion equation in a Paul ion trap known as Mathieu differential equation has been solved for the first time by using Runge-Kutta methods with 4th, 6th, and 8th orders. The first stability regions in az - qz plane and the corresponding qmax values were determined and compared. Also, the first stability regions of , , , ions in the Vdc - Vac plane were drown, and the threshold voltages for the ion separation was investigated.

Life Prediction Model for Grid-Connected Li-ion Battery Energy Storage System: Preprint

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

Smith, Kandler A; Saxon, Aron R; Keyser, Matthew A

Life Prediction Model for Grid-Connected Li-ion Battery Energy Storage System: Preprint Lithium-ion (Li-ion) batteries are being deployed on the electrical grid for a variety of purposes, such as to smooth fluctuations in solar renewable power generation. The lifetime of these batteries will vary depending on their thermal environment and how they are charged and discharged. To optimal utilization of a battery over its lifetime requires characterization of its performance degradation under different storage and cycling conditions. Aging tests were conducted on commercial graphite/nickel-manganese-cobalt (NMC) Li-ion cells. A general lifetime prognostic model framework is applied to model changes in capacity andmore » resistance as the battery degrades. Across 9 aging test conditions from 0oC to 55oC, the model predicts capacity fade with 1.4 percent RMS error and resistance growth with 15 percent RMS error. The model, recast in state variable form with 8 states representing separate fade mechanisms, is used to extrapolate lifetime for example applications of the energy storage system integrated with renewable photovoltaic (PV) power generation.« less

A cylindrical quadrupole ion trap in combination with an electrospray ion source for gas-phase luminescence and absorption spectroscopy

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

Stockett, Mark H., E-mail: stockett@phys.au.dk; Houmøller, Jørgen; Støchkel, Kristian

2016-05-15

A relatively simple setup for collection and detection of light emitted from isolated photo-excited molecular ions has been constructed. It benefits from a high collection efficiency of photons, which is accomplished by using a cylindrical ion trap where one end-cap electrode is a mesh grid combined with an aspheric condenser lens. The geometry permits nearly 10% of the emitted light to be collected and, after transmission losses, approximately 5% to be delivered to the entrance of a grating spectrometer equipped with a detector array. The high collection efficiency enables the use of pulsed tunable lasers with low repetition rates (e.g.,more » 20 Hz) instead of continuous wave (cw) lasers or very high repetition rate (e.g., MHz) lasers that are typically used as light sources for gas-phase fluorescence experiments on molecular ions. A hole has been drilled in the cylinder electrode so that a light pulse can interact with the ion cloud in the center of the trap. Simulations indicate that these modifications to the trap do not significantly affect the storage capability and the overall shape of the ion cloud. The overlap between the ion cloud and the laser light is basically 100%, and experimentally >50% of negatively charged chromophore ions are routinely photodepleted. The performance of the setup is illustrated based on fluorescence spectra of several laser dyes, and the quality of these spectra is comparable to those reported by other groups. Finally, by replacing the optical system with a channeltron detector, we demonstrate that the setup can also be used for gas-phase action spectroscopy where either depletion or fragmentation is monitored to provide an indirect measurement on the absorption spectrum of the ion.« less

A cylindrical quadrupole ion trap in combination with an electrospray ion source for gas-phase luminescence and absorption spectroscopy.

PubMed

Stockett, Mark H; Houmøller, Jørgen; Støchkel, Kristian; Svendsen, Annette; Brøndsted Nielsen, Steen

2016-05-01

A relatively simple setup for collection and detection of light emitted from isolated photo-excited molecular ions has been constructed. It benefits from a high collection efficiency of photons, which is accomplished by using a cylindrical ion trap where one end-cap electrode is a mesh grid combined with an aspheric condenser lens. The geometry permits nearly 10% of the emitted light to be collected and, after transmission losses, approximately 5% to be delivered to the entrance of a grating spectrometer equipped with a detector array. The high collection efficiency enables the use of pulsed tunable lasers with low repetition rates (e.g., 20 Hz) instead of continuous wave (cw) lasers or very high repetition rate (e.g., MHz) lasers that are typically used as light sources for gas-phase fluorescence experiments on molecular ions. A hole has been drilled in the cylinder electrode so that a light pulse can interact with the ion cloud in the center of the trap. Simulations indicate that these modifications to the trap do not significantly affect the storage capability and the overall shape of the ion cloud. The overlap between the ion cloud and the laser light is basically 100%, and experimentally >50% of negatively charged chromophore ions are routinely photodepleted. The performance of the setup is illustrated based on fluorescence spectra of several laser dyes, and the quality of these spectra is comparable to those reported by other groups. Finally, by replacing the optical system with a channeltron detector, we demonstrate that the setup can also be used for gas-phase action spectroscopy where either depletion or fragmentation is monitored to provide an indirect measurement on the absorption spectrum of the ion.

Study of the in vitro metabolism of TJ0711 using ultra high performance liquid chromatography with quadrupole time-of-flight and ultra fast liquid chromatography with quadrupole linear ion trap mass spectrometry.

PubMed

Hu, Lei; Lv, Zhenhua; Li, Gao; Xu, Xiaolong; Zhang, Chenghao; Cao, Peng; Huang, Jiangeng; Si, Luqin

2015-06-01

TJ0711 (1-[4-(2-methoxyethyl)phenoxy]-3-[2-(2-methoxyphenoxy)ethylamino]-2-propanol) is a novel β-adrenoreceptor blocker with vasodilating activity. The aim of this study was to investigate the in vitro metabolic properties of TJ0711 from both qualitative and quantitative aspects using mouse, rat, dog, and human liver microsomes as well as rat hepatocytes. Two modern liquid chromatography with tandem mass spectrometry systems, ultra high performance liquid chromatography with quadrupole time-of-flight mass spectrometry and ultra fast liquid chromatography with quadrupole linear ion trap mass spectrometry, were utilized for the analysis. To better characterize the metabolic pathways of TJ0711, two major metabolites were incubated under the same conditions as that for TJ0711. TJ0711 was extensively metabolized in vitro, and a total of 34 metabolites, including 19 phase I and 15 phase II metabolites, were identified. Similar metabolite profiles were observed among species, and demethylation, hydroxylation, carboxylic acid formation, and glucuronidation were proposed as the major metabolic routes. Significant interspecies differences were observed in the metabolic stability studies of TJ0711. Furthermore, gender differences were significant in mice, rats, and dogs, but were negligible in humans. The valuable information provided in this work will be useful in planning and interpreting further pharmacokinetic, in vivo metabolism and toxicological studies of this novel β-blocker. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Investigation of the heavy-ion mode in the FAIR High Energy Storage Ring

NASA Astrophysics Data System (ADS)

Kovalenko, O.; Dolinskii, O.; Litvinov, Yu A.; Maier, R.; Prasuhn, D.; Stöhlker, T.

2015-11-01

High energy storage ring (HESR) as a part of the future accelerator facility FAIR (Facility for Antiproton and Ion Research) will serve for a variety of internal target experiments with high-energy stored heavy ions (SPARC collaboration). Bare uranium is planned to be used as a primary beam. Since a storage time in some cases may be significant—up to half an hour—it is important to examine the high-order effects in the long-term beam dynamics. A new ion optics specifically for the heavy ion mode of the HESR is developed and is discussed in this paper. The subjects of an optics design, tune working point and a dynamic aperture are addressed. For that purpose nonlinear beam dynamics simulations are carried out. Also a flexibility of the HESR ion optical lattice is verified with regard to various experimental setups. Specifically, due to charge exchange reactions in the internal target, secondary beams, such as hydrogen-like and helium-like uranium ions, will be produced. Thus the possibility of separation of these secondary ions and the primary {{{U}}}92+ beam is presented with different internal target locations.

Tolerance analyses of a quadrupole magnet for advanced photon source upgrade

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

Liu, J., E-mail: Jieliu@aps.anl.gov; Jaski, M., E-mail: jaski@aps.anl.gov; Borland, M., E-mail: borland@aps.anl.gov

2016-07-27

Given physics requirements, the mechanical fabrication and assembly tolerances for storage ring magnets can be calculated using analytical methods [1, 2]. However, this method is not easy for complicated magnet designs [1]. In this paper, a novel method is proposed to determine fabrication and assembly tolerances consistent with physics requirements, through a combination of magnetic and mechanical tolerance analyses. In this study, finite element analysis using OPERA is conducted to estimate the effect of fabrication and assembly errors on the magnetic field of a quadrupole magnet and to determine the allowable tolerances to achieve the specified magnetic performances. Based onmore » the study, allowable fabrication and assembly tolerances for the quadrupole assembly are specified for the mechanical design of the quadrupole magnet. Next, to achieve the required assembly level tolerances, mechanical tolerance stackup analyses using a 3D tolerance analysis package are carried out to determine the part and subassembly level fabrication tolerances. This method can be used to determine the tolerances for design of other individual magnets and of magnet strings.« less

Miniaturized GC/MS instrumentation for in situ measurements: micro gas chromatography coupled with miniature quadrupole array and paul ion trap mass spectrometers

NASA Technical Reports Server (NTRS)

Holland, P.; Chutjian, A.; Darrach, M.; Orient, O.

2002-01-01

Miniaturized chemical instrumentation is needed for in situ measurements in planetary exploration and other spaceflight applications where factors such as reduction in payload requirements and enhanced robustness are important. In response to this need, we are 'continuing to develop miniaturized GC/MS instrumentation which combines chemical separations by gas chromatography (GC) with mass spectrometry (MS) to provide positive identification of chemical compounds in complex mixtures of gases, such as those found in the International Space Station's cabin atmosphere. Our design approach utilizes micro gas chromatography components coupled with either a miniature quadrupole mass spectrometer array (QMSA) or compact, high-resolution Paul ion trap.

Comparison of ion coupling strategies for a microengineered quadrupole mass filter.

PubMed

Wright, Steven; Syms, Richard R A; O'Prey, Shane; Hong, Guodong; Holmes, Andrew S

2009-01-01

The limitations of conventional machining and assembly techniques require that designs for quadrupole mass analyzers with rod diameters less than a millimeter are not merely scale versions of larger instruments. We show how silicon planar processing techniques and microelectromechanical systems (MEMS) design concepts can be used to incorporate complex features into the construction of a miniature quadrupole mass filter chip that could not easily be achieved using other microengineering approaches. Three designs for the entrance and exit to the filter consistent with the chosen materials and techniques have been evaluated. The differences between these seemingly similar structures have a significant effect on the performance. Although one of the designs results in severe attenuation of transmission with increasing mass, the other two can be scanned to m/z = 400 without any corruption of the mass spectrum. At m/z = 219, the variation in the transmission of the three designs was found to be approximately four orders of magnitude. A maximum resolution of M/DeltaM = 87 at 10% peak height has been achieved at m/z = 219 with a filter operated at 6 MHz and constructed using rods measuring (508 +/- 5) microm in diameter.

Apparatus and method of dissociating ions in a multipole ion guide

DOEpatents

Webb, Ian K.; Tang, Keqi; Smith, Richard D.; Ibrahim, Yehia M.; Anderson, Gordon A.

2014-07-08

A method of dissociating ions in a multipole ion guide is disclosed. A stream of charged ions is supplied to the ion guide. A main RF field is applied to the ion guide to confine the ions through the ion guide. An excitation RF field is applied to one pair of rods of the ion guide. The ions undergo dissociation when the applied excitation RF field is resonant with a secular frequency of the ions. The multipole ion guide is, but not limited to, a quadrupole, a hexapole, and an octopole.

Electron cooling of a bunched ion beam in a storage ring

NASA Astrophysics Data System (ADS)

Zhao, He; Mao, Lijun; Yang, Jiancheng; Xia, Jiawen; Yang, Xiaodong; Li, Jie; Tang, Meitang; Shen, Guodong; Ma, Xiaoming; Wu, Bo; Wang, Geng; Ruan, Shuang; Wang, Kedong; Dong, Ziqiang

2018-02-01

A combination of electron cooling and rf system is an effective method to compress the beam bunch length in storage rings. A simulation code based on multiparticle tracking was developed to calculate the bunched ion beam cooling process, in which the electron cooling, intrabeam scattering (IBS), ion beam space-charge field, transverse and synchrotron motion are considered. Meanwhile, bunched ion beam cooling experiments have been carried out in the main cooling storage ring (CSRm) of the Heavy Ion Research Facility in Lanzhou, to investigate the minimum bunch length obtained by the cooling method, and study the dependence of the minimum bunch length on beam and machine parameters. The experiments show comparable results to those from simulation. Based on these simulations and experiments, we established an analytical model to describe the limitation of the bunch length of the cooled ion beam. It is observed that the IBS effect is dominant for low intensity beams, and the space-charge effect is much more important for high intensity beams. Moreover, the particles will not be bunched for much higher intensity beam. The experimental results in CSRm show a good agreement with the analytical model in the IBS dominated regime. The simulation work offers us comparable results to those from the analytical model both in IBS dominated and space-charge dominated regimes.

Mechanism of Na-Ion Storage in Hard Carbon Anodes Revealed by Heteroatom Doping

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

Li, Zhifei; Bommier, Clement; Chong, Zhi Sen

Hard carbon is the candidate anode material for the commercialization of Na-ion batteries the batteries that by virtue of being constructed from inexpensive and abundant components open the door for massive scale up of battery-based storage of electrical energy. Holding back the development of these batteries is that a complete understanding of the mechanism of Na-ion storage in hard carbon has remained elusive. Although as an amorphous carbon, hard carbon possesses a subtle and complex structure composed of domains of layered rumpled sheets that have local order resembling graphene within each layer but complete disorder along the c-axis between layers.more » Here, we present two key discoveries: first that characteristics of hard carbon s structure can be modified systematically by heteroatom doping, and second, that these changes greatly affect Na-ion storage properties, which reveal the mechanisms for Na storage in hard carbon. Specifically, P, S and B doping was used to engineer the density of local defects in graphenic layers, and to modify the spacing between the layers. While opening the interlayer spacing through P or S doping extends the low-voltage capacity plateau, and increasing the defect concentration with P or B doping high first sodiation capacity is achieved. Furthermore, we observe that the highly defective B-doped hard carbon suffers a tremendous irreversible capacity in the first desodiation cycle. Our combined first principles calculations and experimental studies revealed a new trapping mechanism, showing that the high binding energies between B-doping induced defects and Na-ions are responsible for the irreversible capacity. The understanding generated in this work provides a totally new set of guiding principles for materials engineers working to optimize hard carbon for Na-ion battery applications.« less

Mechanism of Na-Ion Storage in Hard Carbon Anodes Revealed by Heteroatom Doping

DOE PAGES

Li, Zhifei; Bommier, Clement; Chong, Zhi Sen; ...

2017-05-23

Hard carbon is the candidate anode material for the commercialization of Na-ion batteries the batteries that by virtue of being constructed from inexpensive and abundant components open the door for massive scale up of battery-based storage of electrical energy. Holding back the development of these batteries is that a complete understanding of the mechanism of Na-ion storage in hard carbon has remained elusive. Although as an amorphous carbon, hard carbon possesses a subtle and complex structure composed of domains of layered rumpled sheets that have local order resembling graphene within each layer but complete disorder along the c-axis between layers.more » Here, we present two key discoveries: first that characteristics of hard carbon s structure can be modified systematically by heteroatom doping, and second, that these changes greatly affect Na-ion storage properties, which reveal the mechanisms for Na storage in hard carbon. Specifically, P, S and B doping was used to engineer the density of local defects in graphenic layers, and to modify the spacing between the layers. While opening the interlayer spacing through P or S doping extends the low-voltage capacity plateau, and increasing the defect concentration with P or B doping high first sodiation capacity is achieved. Furthermore, we observe that the highly defective B-doped hard carbon suffers a tremendous irreversible capacity in the first desodiation cycle. Our combined first principles calculations and experimental studies revealed a new trapping mechanism, showing that the high binding energies between B-doping induced defects and Na-ions are responsible for the irreversible capacity. The understanding generated in this work provides a totally new set of guiding principles for materials engineers working to optimize hard carbon for Na-ion battery applications.« less

Development of a radio-frequency quadrupole cooler for high beam currents

NASA Astrophysics Data System (ADS)

Boussaid, Ramzi; Ban, G.; Quéméner, G.; Merrer, Y.; Lorry, J.

2017-12-01

The SHIRaC prototype is a recently developed radio-frequency quadrupole (RFQ) beam cooler with an improved optics design to deliver the required beam quality to a high resolution separator (HRS). For an isobaric separation of isotopes, the HRS demands beams with emittance not exceeding 3 π mm mrad and longitudinal energy spread ˜1 eV . Simulation studies showed a significant contribution of the buffer gas diffusion, space charge effect and mainly the rf fringe field to degrade the achieved beam quality at the RFQ exit. A miniature rf quadrupole (μ RFQ ) has been implemented at that exit to remove the degrading effects and provide beams with 1 eV of energy spread and around 1.75 π mm mrad of emittance for 4 Pa gas pressure. This solution enables also to transmit more than 60% of the incoming ions for currents up to 1 μ A . Detailed studies of this development are presented and discussed in this paper. Transport of beams from SHIRaC towards the HRS has been done with an electrostatic quadrupole triplet. Simulations and first experimental tests showed that more than 95% of ions can reach the HRS. Because SPIRAL-2 beams are of high current and very radioactive, the buffer gas will be highly contaminated. Safe maintenance of the SHIRaC beam line needs exceptional treatment of radioactive contaminants. For that, special vinyl sleep should be mounted on elements to be maintained. A detailed maintenance process will be presented.

Site-specific N-glycosylation analysis: matrix-assisted laser desorption/ionization quadrupole-quadrupole time-of-flight tandem mass spectral signatures for recognition and identification of glycopeptides.

PubMed

Krokhin, Oleg; Ens, Werner; Standing, Kenneth G; Wilkins, John; Perreault, Hélène

2004-01-01

The identification of glycosylation sites in proteins is often possible through a combination of proteolytic digestion, separation, mass spectrometry (MS) and tandem MS (MS/MS). Liquid chromatography (LC) in combination with MS/MS has been a reliable method for detecting glycopeptides in digestion mixtures, and for assigning glycosylation sites and glycopeptide sequences. Direct interfacing of LC with MS relies on electrospray ionization, which produces ions with two, three or four charges for most proteolytic peptides and glycopeptides. MS/MS spectra of such glycopeptide ions often lead to ambiguous interpretation if deconvolution to the singly charged level is not used. In contrast, the matrix-assisted laser desorption/ionization (MALDI) technique usually produces singly charged peptide and glycopeptide ions. These ions require an extended m/z range, as provided by the quadrupole-quadrupole time-of-flight (QqTOF) instrument used in these experiments, but the main advantages of studying singly charged ions are the simplicity and consistency of the MS/MS spectra. A first aim of the present study is to develop methods to recognize and use glycopeptide [M+H]+ ions as precursors for MS/MS, and thus for glycopeptide/glycoprotein identification as part of wider proteomics studies. Secondly, this article aims at demonstrating the usefulness of MALDI-MS/MS spectra of N-glycopeptides. Mixtures of diverse types of proteins, obtained commercially, were prepared and subjected to reduction, alkylation and tryptic digestion. Micro-column reversed-phase separation allowed deposition of several fractions on MALDI plates, followed by MS and MS/MS analysis of all peptides. Glycopeptide fractions were identified after MS by their specific m/z spacing patterns (162, 203, 291 u) between glycoforms, and then analyzed by MS/MS. In most cases, MS/MS spectra of [M+H]+ ions of glycopeptides featured peaks useful for determining sugar composition, peptide sequence, and thus probable

Biologically derived melanin electrodes in aqueous sodium-ion energy storage devices

PubMed Central

Kim, Young Jo; Wu, Wei; Chun, Sang-Eun; Whitacre, Jay F.; Bettinger, Christopher J.

2013-01-01

Biodegradable electronics represents an attractive and emerging paradigm in medical devices by harnessing simultaneous advantages afforded by electronically active systems and obviating issues with chronic implants. Integrating practical energy sources that are compatible with the envisioned operation of transient devices is an unmet challenge for biodegradable electronics. Although high-performance energy storage systems offer a feasible solution, toxic materials and electrolytes present regulatory hurdles for use in temporary medical devices. Aqueous sodium-ion charge storage devices combined with biocompatible electrodes are ideal components to power next-generation biodegradable electronics. Here, we report the use of biologically derived organic electrodes composed of melanin pigments for use in energy storage devices. Melanins of natural (derived from Sepia officinalis) and synthetic origin are evaluated as anode materials in aqueous sodium-ion storage devices. Na+-loaded melanin anodes exhibit specific capacities of 30.4 ± 1.6 mAhg−1. Full cells composed of natural melanin anodes and λ-MnO2 cathodes exhibit an initial potential of 1.03 ± 0.06 V with a maximum specific capacity of 16.1 ± 0.8 mAhg−1. Natural melanin anodes exhibit higher specific capacities compared with synthetic melanins due to a combination of beneficial chemical, electrical, and physical properties exhibited by the former. Taken together, these results suggest that melanin pigments may serve as a naturally occurring biologically derived charge storage material to power certain types of medical devices. PMID:24324163

Profiling the indole alkaloids in yohimbe bark with ultra-performance liquid chromatography coupled with ion mobility quadrupole time-of-flight mass spectrometry.

PubMed

Sun, Jianghao; Baker, Andrew; Chen, Pei

2011-09-30

An ultra-performance liquid chromatography/ion mobility quadrupole time-of-flight mass spectrometry (UPLC/IM-QTOF-MS) method was developed for profiling the indole alkaloids in yohimbe bark. Many indole alkaloids with the yohimbine or ajmalicine core structure, plus methylated, oxidized and reduced species, were characterized. Common fragments and mass differences are described. It was shown that the use of IMS could provide another molecular descriptor, i.e. molecular shape by rotationally averaged collision cross-section; this is of great value for identification of constituents when reference materials are usually not available. Using the combination of high resolution (~40000) accurate mass measurement with time-aligned parallel (TAP) fragmentation, MS(E) (where E represents collision energy), ion mobility mass spectrometry (IMS) and UPLC chromatography, a total 55 indole alkaloids were characterized and a few new indole alkaloids are reported for the first time. Published in 2011 by John Wiley & Sons, Ltd.

Quadrupole-Quadrupole Interactions to Control Plasmon-Induced Transparency

NASA Astrophysics Data System (ADS)

Rana, Goutam; Deshmukh, Prathmesh; Palkhivala, Shalom; Gupta, Abhishek; Duttagupta, S. P.; Prabhu, S. S.; Achanta, VenuGopal; Agarwal, G. S.

2018-06-01

Radiative dipolar resonance with Lorentzian line-shape induces the otherwise dark quadrupolar resonances resulting in electromagnetically induced transparency (EIT). The two interfering excitation pathways of the dipole are earlier shown to result in a Fano line shape with a high figure of merit suitable for sensing. In metamaterials made of metal nanorods or antennas, the plasmonic EIT (PIT) efficiency depends on the overlap of the dark and bright mode spectra as well as the asymmetry resulting from the separation between the monomer (dipole) and dimer (quadrupole) that governs the coupling strength. Increasing asymmetry in these structures leads to the reduction of the figure of merit due to a broadening of the Fano resonance. We demonstrate a PIT system in which the simultaneous excitation of two dipoles result in double PIT. The corresponding two quadrupoles interact and control the quality factor (Q ) of the PIT resonance. We show an antiresonancelike symmetric line shape with nonzero asymmetry factors. The PIT resonance vanishes due to quadrupole-quadrupole coupling. A Q factor of more than 100 at 0.977 THz is observed, which is limited by the experimental resolution of 6 GHz. From polarization-dependent studies we show that the broadening of the Lorentzian resonance is due to scattering-induced excitation of orthogonally oriented dipoles in the monomer and dimer bars in the terahertz regime. The high Q factors in the terahertz frequency region demonstrated here are interesting for sensing application.

Pulsed Multiple Reaction Monitoring Approach to Enhancing Sensitivity of a Tandem Quadrupole Mass Spectrometer

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

Belov, Mikhail E.; Prasad, Satendra; Prior, David C.

2011-02-23

Liquid chromatography (LC)-triple quadrupole mass spectrometers operating in a Multiple Reaction Monitoring (MRM) mode are increasingly used for quantitative analysis of low abundance analytes in highly complex biochemical matrices. After development and selection of optimum MRM transition, sensitivity and data quality limitations are largely related to mass spectral peak interferences from sample or matrix constituents and statistical limitations at low number of ions reaching the detector. Herein, we report a new approach to enhancing MRM sensitivity by converting the continuous stream of ions from the ion source into a pulsed ion beam through the use of an Ion Funnel Trapmore » (IFT). Evaluation of the pulsed MRM approach was performed with a tryptic digest of Shewanella oneidensis strain MR-1 spiked with several reference peptides. The sensitivity improvement observed with the IFT coupled to the triple quadrupole instrument is based on several unique features. First, ion accumulation in the radio frequency (RF) ion trap facilitates improved droplet desolvation, which is manifested in the reduced background ion noise at the detector. Second, signal amplitude for a given transition is enhanced because of an order-of-magnitude increase in the ion charge density per unit time compared to a continuous mode of operation. Third, signal detection at the full duty cycle is obtained, as the trap use eliminates dead times between transitions, which are inevitable with continuous ion streams. In comparison with the conventional approach, the pulsed MRM signals showed up to 5-fold enhanced peak amplitude and 2-3 fold reduced chemical background, resulting in an improvement in the limit of detection (LOD) by a factor of ~ 4 to ~ 8.« less

Source-to-accelerator quadrupole matching section for a compact linear accelerator

NASA Astrophysics Data System (ADS)

Seidl, P. A.; Persaud, A.; Ghiorso, W.; Ji, Q.; Waldron, W. L.; Lal, A.; Vinayakumar, K. B.; Schenkel, T.

2018-05-01

Recently, we presented a new approach for a compact radio-frequency (RF) accelerator structure and demonstrated the functionality of the individual components: acceleration units and focusing elements. In this paper, we combine these units to form a working accelerator structure: a matching section between the ion source extraction grids and the RF-acceleration unit and electrostatic focusing quadrupoles between successive acceleration units. The matching section consists of six electrostatic quadrupoles (ESQs) fabricated using 3D-printing techniques. The matching section enables us to capture more beam current and to match the beam envelope to conditions for stable transport in an acceleration lattice. We present data from an integrated accelerator consisting of the source, matching section, and an ESQ doublet sandwiched between two RF-acceleration units.

LHC interaction region quadrupole cryostat design

NASA Astrophysics Data System (ADS)

Nicol, T. H.; Darve, Ch.; Huang, Y.; Page, T. M.

2002-05-01

The cryostat of a Large Hadron Collider (LHC) Interaction Region (IR) quadrupole magnet consists of all components of the inner triplet except the magnet assembly itself. It serves to support the magnet accurately and reliably within the vacuum vessel, to house all required cryogenic piping, and to insulate the cold mass from heat radiated and conducted from the environment. It must function reliably during storage, shipping and handling, normal magnet operation, quenches, and seismic excitations, and must be able to be manufactured at low cost. The major components of the cryostat are the vacuum vessel, thermal shield, multi-layer insulation system, cryogenic piping, and suspension system. The overall design of a cryostat for superconducting accelerator magnets requires consideration of fluid flow, proper selection of materials for their thermal and structural performance at both ambient and operating temperature, and knowledge of the environment to which the magnets will be subjected over the course of their expected operating lifetime. This paper describes the current LHC IR inner triplet quadrupole magnet cryostats being designed and manufactured at Fermilab as part of the US-LHC collaboration, and includes discussions on the structural and thermal considerations involved in the development of each of the major systems.

Aqueous hybrid ion batteries - An environmentally friendly alternative for stationary energy storage?

NASA Astrophysics Data System (ADS)

Peters, Jens F.; Weil, Marcel

2017-10-01

Aqueous hybrid ion batteries (AHIB) are being promoted as an environmentally friendly alternative to existing stationary battery technologies. However, no quantification of their potential environmental impacts has yet been done. This paper presents a prospective life cycle assessment of an AHIB module and compares its performance with lithium-ion and sodium-ion batteries in two different stationary energy storage applications. The findings show that the claim of being an environmentally friendly technology can only be supported with some major limitations. While the AHIB uses abundant and non-toxic materials, it has a very low energy density and requires increased amounts of material for providing a given storage capacity. Per kWh of battery, results comparable to those of the alternative lithium- or sodium-ion batteries are obtained, but significantly higher impacts under global warming and ozone depletion aspects. The comparable high cycle life of the AHIB compensates this partially, requiring less battery replacements over the lifetime of the application. On the other hand, its internal inefficiencies are higher, what becomes the dominating factor when charging majorly fossil based electricity, making AHIB unattractive for this type of applications.

Sensitive screening of abused drugs in dried blood samples using ultra-high-performance liquid chromatography-ion booster-quadrupole time-of-flight mass spectrometry.

PubMed

Chepyala, Divyabharathi; Tsai, I-Lin; Liao, Hsiao-Wei; Chen, Guan-Yuan; Chao, Hsi-Chun; Kuo, Ching-Hua

2017-03-31

An increased rate of drug abuse is a major social problem worldwide. The dried blood spot (DBS) sampling technique offers many advantages over using urine or whole blood sampling techniques. This study developed a simple and efficient ultra-high-performance liquid chromatography-ion booster-quadrupole time-of-flight mass spectrometry (UHPLC-IB-QTOF-MS) method for the analysis of abused drugs and their metabolites using DBS. Fifty-seven compounds covering the most commonly abused drugs, including amphetamines, opioids, cocaine, benzodiazepines, barbiturates, and many other new and emerging abused drugs, were selected as the target analytes of this study. An 80% acetonitrile solvent with a 5-min extraction by Geno grinder was used for sample extraction. A Poroshell column was used to provide efficient separation, and under optimal conditions, the analytical times were 15 and 5min in positive and negative ionization modes, respectively. Ionization parameters of both electrospray ionization source and ion booster (IB) source containing an extra heated zone were optimized to achieve the best ionization efficiency of the investigated abused drugs. In spite of their structural diversity, most of the abused drugs showed an enhanced mass response with the high temperature ionization from an extra heated zone of IB source. Compared to electrospray ionization, the ion booster (IB) greatly improved the detection sensitivity for 86% of the analytes by 1.5-14-fold and allowed the developed method to detect trace amounts of compounds on the DBS cards. The validation results showed that the coefficients of variation of intra-day and inter-day precision in terms of the signal intensity were lower than 19.65%. The extraction recovery of all analytes was between 67.21 and 115.14%. The limits of detection of all analytes were between 0.2 and 35.7ngmL -1 . The stability study indicated that 7% of compounds showed poor stability (below 50%) on the DBS cards after 6 months of storage at

Real-time quantitative analysis of H2, He, O2, and Ar by quadrupole ion trap mass spectrometry.

PubMed

Ottens, Andrew K; Harrison, W W; Griffin, Timothy P; Helms, William R

2002-09-01

The use of a quadrupole ion trap mass spectrometer (QITMS) for quantitative analysis of hydrogen and helium as well as of other permanent gases is demonstrated. Like commercial instruments, the customized QITMS uses mass selective instability; however, this instrument operates at a greater trapping frequency and without a buffer gas. Thus, a useable mass range from 2 to over 50 daltons (Da) is achieved. The performance of the ion trap is evaluated using part-per-million (ppm) concentrations of hydrogen, helium, oxygen, and argon mixed into a nitrogen gas stream, as outlined by the National Aeronautics and Space Administration (NASA), which is interested in monitoring for cryogenic fuel leaks within the Space Shuttle during launch preparations. When quantitating the four analytes, relative accuracy and precision were better than the NASA-required minimum of 10% error and 5% deviation, respectively. Limits of detection were below the NASA requirement of 25-ppm hydrogen and 100-ppm helium; those for oxygen and argon were within the same order of magnitude as the requirements. These results were achieved at a fast data recording rate, and demonstrate the utility of the QITMS as a real-time quantitative monitoring device for permanent gas analysis. c. 2002 American Society for Mass Spectrometry.

Coaxial ion trap mass spectrometer: concentric toroidal and quadrupolar trapping regions.

PubMed

Peng, Ying; Hansen, Brett J; Quist, Hannah; Zhang, Zhiping; Wang, Miao; Hawkins, Aaron R; Austin, Daniel E

2011-07-15

We present the design and results for a new radio-frequency ion trap mass analyzer, the coaxial ion trap, in which both toroidal and quadrupolar trapping regions are created simultaneously. The device is composed of two parallel ceramic plates, the facing surfaces of which are lithographically patterned with concentric metal rings and covered with a thin film of germanium. Experiments demonstrate that ions can be trapped in either region, transferred from the toroidal to the quadrupolar region, and mass-selectively ejected from the quadrupolar region to a detector. Ions trapped in the toroidal region can be transferred to the quadrupole region using an applied ac signal in the radial direction, although it appears that the mechanism of this transfer does not involve resonance with the ion secular frequency, and the process is not mass selective. Ions in the quadrupole trapping region are mass analyzed using dipole resonant ejection. Multiple transfer steps and mass analysis scans are possible on a single population of ions, as from a single ionization/trapping event. The device demonstrates better mass resolving power than the radially ejecting halo ion trap and better sensitivity than the planar quadrupole ion trap.

Peptide profiling of Internet-obtained Cerebrolysin using high performance liquid chromatography - electrospray ionization ion trap and ultra high performance liquid chromatography - ion mobility - quadrupole time of flight mass spectrometry.

PubMed

Gevaert, Bert; D'Hondt, Matthias; Bracke, Nathalie; Yao, Han; Wynendaele, Evelien; Vissers, Johannes Petrus Cornelis; De Cecco, Martin; Claereboudt, Jan; De Spiegeleer, Bart

2015-09-01

Cerebrolysin, a parenteral peptide preparation produced by controlled digestion of porcine brain proteins, is an approved nootropic medicine in some countries. However, it is also easily and globally available on the Internet. Nevertheless, until now, its exact chemical composition was unknown. Using high performance liquid chromatography (HPLC) coupled to ion trap and ultra high performance liquid chromatography (UHPLC) coupled to quadrupole-ion mobility-time-of-flight mass spectrometry (Q-IM-TOF MS), combined with UniProt pig protein database search and PEAKS de novo sequencing, we identified 638 unique peptides in an Internet-obtained Cerebrolysin sample. The main components in this sample originate from tubulin alpha- and beta-chain, actin, and myelin basic protein. No fragments of known neurotrophic factors like glial cell-derived neurotrophic factor (GDNF), neurotrophin nerve growth factor (NGF), brain-derived neurotrophic factor (BDNF), and ciliary neurotrophic factor (CNTF) were found, suggesting that the activities reported in the literature are likely the result of new, hitherto unknown cryptic peptides with nootropic properties. Copyright © 2015 John Wiley & Sons, Ltd.

Control of systematic uncertainties in the storage ring search for an electric dipole moment by measuring the electric quadrupole moment

NASA Astrophysics Data System (ADS)

Magiera, Andrzej

2017-09-01

Measurements of electric dipole moment (EDM) for light hadrons with use of a storage ring have been proposed. The expected effect is very small, therefore various subtle effects need to be considered. In particular, interaction of particle's magnetic dipole moment and electric quadrupole moment with electromagnetic field gradients can produce an effect of a similar order of magnitude as that expected for EDM. This paper describes a very promising method employing an rf Wien filter, allowing to disentangle that contribution from the genuine EDM effect. It is shown that both these effects could be separated by the proper setting of the rf Wien filter frequency and phase. In the EDM measurement the magnitude of systematic uncertainties plays a key role and they should be under strict control. It is shown that particles' interaction with field gradients offers also the possibility to estimate global systematic uncertainties with the precision necessary for an EDM measurement with the planned accuracy.

Battery Energy Storage Market: Commercial Scale, Lithium-ion Projects in the U.S.

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

McLaren, Joyce; Gagnon, Pieter; Anderson, Kate

2016-10-01

This slide deck presents current market data on the commercial scale li-ion battery storage projects in the U.S. It includes existing project locations, cost data and project cost breakdown, a map of demand charges across the U.S. and information about how the ITC and MACRS apply to energy storage projects that are paired with solar PV technology.

Physical origin of the quadrupole out-of-plane magnetic field in Hall-magnetohydrodynamic reconnection

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

Uzdensky, Dmitri A.; Kulsrud, Russell M.

2006-06-15

A quadrupole pattern of the out-of-plane component of the magnetic field inside a reconnection region is seen as an important signature of the Hall-magnetohydrodynamic regime of reconnection. It has been first observed in numerical simulations and just recently confirmed in the Magnetic Reconnection Experiment [Y. Ren, M. Yamada, S. Gerhardt, H. Ji, R. Kulsrud, and A. Kuritsin, Phys. Rev. Lett. 95, 055003 (2005)] and also seen in spacecraft observations of Earth's magnetosphere. In this study, the physical origin of the quadrupole field is analyzed and traced to a current of electrons that flows along the lines in and out ofmore » the inner reconnection region to maintain charge neutrality. The role of the quadrupole magnetic field in the overall dynamics of the reconnection process is discussed. In addition, the bipolar poloidal electric field is estimated and its effect on ion motions is emphasized.« less

Rocking-Chair Ammonium-Ion Battery: A Highly Reversible Aqueous Energy Storage System.

PubMed

Wu, Xianyong; Qi, Yitong; Hong, Jessica J; Li, Zhifei; Hernandez, Alexandre S; Ji, Xiulei

2017-10-09

Aqueous rechargeable batteries are promising solutions for large-scale energy storage. Such batteries have the merit of low cost, innate safety, and environmental friendliness. To date, most known aqueous ion batteries employ metal cation charge carriers. Here, we report the first "rocking-chair" NH 4 -ion battery of the full-cell configuration by employing an ammonium Prussian white analogue, (NH 4 ) 1.47 Ni[Fe(CN) 6 ] 0.88 , as the cathode, an organic solid, 3,4,9,10-perylenetetracarboxylic diimide (PTCDI), as the anode, and 1.0 m aqueous (NH 4 ) 2 SO 4 as the electrolyte. This novel aqueous ammonium-ion battery demonstrates encouraging electrochemical performance: an average operation voltage of ca. 1.0 V, an attractive energy density of ca. 43 Wh kg -1 based on both electrodes' active mass, and excellent cycle life over 1000 cycles with 67 % capacity retention. Importantly, the topochemistry results of NH 4 + in these electrodes point to a new paradigm of NH 4 + -based energy storage. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Life Prediction Model for Grid-Connected Li-ion Battery Energy Storage System

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

Smith, Kandler A; Saxon, Aron R; Keyser, Matthew A

Lithium-ion (Li-ion) batteries are being deployed on the electrical grid for a variety of purposes, such as to smooth fluctuations in solar renewable power generation. The lifetime of these batteries will vary depending on their thermal environment and how they are charged and discharged. To optimal utilization of a battery over its lifetime requires characterization of its performance degradation under different storage and cycling conditions. Aging tests were conducted on commercial graphite/nickel-manganese-cobalt (NMC) Li-ion cells. A general lifetime prognostic model framework is applied to model changes in capacity and resistance as the battery degrades. Across 9 aging test conditions frommore » 0oC to 55oC, the model predicts capacity fade with 1.4% RMS error and resistance growth with 15% RMS error. The model, recast in state variable form with 8 states representing separate fade mechanisms, is used to extrapolate lifetime for example applications of the energy storage system integrated with renewable photovoltaic (PV) power generation.« less

ACCELERATORS: Beam based alignment of the SSRF storage ring

NASA Astrophysics Data System (ADS)

Zhang, Man-Zhou; Li, Hao-Hu; Jiang, Bo-Cheng; Liu, Gui-Min; Li, De-Ming

2009-04-01

There are 140 beam position monitors (BPMs) in the Shanghai Synchrotron Radiation Facility (SSRF) storage ring used for measuring the closed orbit. As the BPM pickup electrodes are assembled directly on the vacuum chamber, it is important to calibrate the electrical center offset of the BPM to an adjacent quadrupole magnetic center. A beam based alignment (BBA) method which varies individual quadrupole magnet strength and observes its effects on the orbit is used to measure the BPM offsets in both the horizontal and vertical planes. It is a completely automated technique with various data processing methods. There are several parameters such as the strength change of the correctors and the quadrupoles which should be chosen carefully in real measurement. After several rounds of BBA measurement and closed orbit correction, these offsets are set to an accuracy better than 10 μm. In this paper we present the method of beam based calibration of BPMs, the experimental results of the SSRF storage ring, and the error analysis.

Noble gas storage and delivery system for ion propulsion

NASA Technical Reports Server (NTRS)

Back, Dwight Douglas (Inventor); Ramos, Charlie (Inventor)

2001-01-01

A method and system for storing and delivering a noble gas for an ion propulsion system where an adsorbent bearing a noble gas is heated within a storage vessel to desorb the noble gas which is then flowed through a pressure reduction device to a thruster assembly. The pressure and flow is controlled using a flow restrictor and low wattage heater which heats an adsorbent bed containing the noble gas propellant at low pressures. Flow rates of 5-60 sccm can be controlled to within about 0.5% or less and the required input power is generally less than 50 W. This noble gas storage and delivery system and method can be used for earth orbit satellites, and lunar or planetary space missions.

Liquid metal ion source assembly for external ion injection into an electron string ion source (ESIS)

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

Segal, M. J., E-mail: mattiti@gmail.com; University of Cape Town, Rondebosch, Cape Town 7700; Bark, R. A.

An assembly for a commercial Ga{sup +} liquid metal ion source in combination with an ion transportation and focusing system, a pulse high-voltage quadrupole deflector, and a beam diagnostics system has been constructed in the framework of the iThemba LABS (Cape Town, South Africa)—JINR (Dubna, Russia) collaboration. First, results on Ga{sup +} ion beam commissioning will be presented. Outlook of further experiments for measurements of charge breeding efficiency in the electron string ion source with the use of external injection of Ga{sup +} and Au{sup +} ion beams will be reported as well.

Extending the Dynamic Range of the Ion Trap by Differential Mobility Filtration

PubMed Central

Hall, Adam B.; Coy, Stephen L.; Kafle, Amol; Glick, James; Nazarov, Erkinjon

2013-01-01

A miniature, planar, differential ion mobility spectrometer (DMS) was interfaced to an LCQ classic ion trap to conduct selective ion filtration prior to mass analysis in order to extend the dynamic range of the trap. Space charge effects are known to limit the functional ion storage capacity of ion trap mass analyzers and this, in turn, can affect the quality of the mass spectral data generated. This problem is further exacerbated in the analysis of mixtures where the indiscriminate introduction of matrix ions results in premature trap saturation with non-targeted species, thereby reducing the number of parent ions that may be used to conduct MS/MS experiments for quantitation or other diagnostic studies. We show that conducting differential mobility-based separations prior to mass analysis allows the isolation of targeted analytes from electrosprayed mixtures preventing the indiscriminate introduction of matrix ions and premature trap saturation with analytically unrelated species. Coupling these two analytical techniques is shown to enhance the detection of a targeted drug metabolite from a biological matrix. In its capacity as a selective ion filter, the DMS can improve the analytical performance of analyzers such as quadrupole (3-D or linear) and ion cyclotron resonance (FT-ICR) ion traps that depend on ion accumulation. PMID:23797861

Electrostatic attraction between neutral microdroplets by ion fluctuations

NASA Astrophysics Data System (ADS)

Sheng, Yu-Jane; Tsao, Heng-Kwong

2004-06-01

The interaction between two aqueous droplets containing ions is investigated. The ion-fluctuation correlation gives rise to attraction between two neutral microdroplets, similar to the van der Waals interaction between neutral atoms. Electrostatic attraction consists of contributions from various induced multipole-multipole interactions, including dipole-dipole < P2z >2 r-6 , dipole-quadrupole < P2z > < Q 2zz > r-8 , dipole-octupole < P2z > < O 2zzz > r-10 , and quadrupole-quadrupole interactions < Q 2zz >2 r-10 . The mean-square multipole moments are determined analytically by linear response theory. The fluctuation-driven attraction is so strong at short distance that it may dominate over the Coulomb repulsion between like-charged droplets. These theoretical results are confirmed by Monte Carlo simulations.

Electrostatic attraction between neutral microdroplets by ion fluctuations.

PubMed

Sheng, Yu-Jane; Tsao, Heng-Kwong

2004-06-01

The interaction between two aqueous droplets containing ions is investigated. The ion-fluctuation correlation gives rise to attraction between two neutral microdroplets, similar to the van der Waals interaction between neutral atoms. Electrostatic attraction consists of contributions from various induced multipole-multipole interactions, including dipole-dipole < P(2)(z) >(2) r(-6), dipole-quadrupole < P(2)(z) > < Q (2)(zz ) > r(-8), dipole-octupole < P(2)(z) > < O (2)(zzz ) > r(-10), and quadrupole-quadrupole interactions < Q (2)(zz ) >(2) r(-10). The mean-square multipole moments are determined analytically by linear response theory. The fluctuation-driven attraction is so strong at short distance that it may dominate over the Coulomb repulsion between like-charged droplets. These theoretical results are confirmed by Monte Carlo simulations.

A Generic Multiple Reaction Monitoring Based Approach for Plant Flavonoids Profiling Using a Triple Quadrupole Linear Ion Trap Mass Spectrometry

NASA Astrophysics Data System (ADS)

Yan, Zhixiang; Lin, Ge; Ye, Yang; Wang, Yitao; Yan, Ru

2014-06-01

Flavonoids are one of the largest classes of plant secondary metabolites serving a variety of functions in plants and associating with a number of health benefits for humans. Typically, they are co-identified with many other secondary metabolites using untargeted metabolomics. The limited data quality of untargeted workflow calls for a shift from the breadth-first to the depth-first screening strategy when a specific biosynthetic pathway is focused on. Here we introduce a generic multiple reaction monitoring (MRM)-based approach for flavonoids profiling in plants using a hybrid triple quadrupole linear ion trap (QTrap) mass spectrometer. The approach includes four steps: (1) preliminary profiling of major aglycones by multiple ion monitoring triggered enhanced product ion scan (MIM-EPI); (2) glycones profiling by precursor ion triggered EPI scan (PI-EPI) of major aglycones; (3) comprehensive aglycones profiling by combining MIM-EPI and neutral loss triggered EPI scan (NL-EPI) of major glycone; (4) in-depth flavonoids profiling by MRM-EPI with elaborated MRM transitions. Particularly, incorporation of the NH3 loss and sugar elimination proved to be very informative and confirmative for flavonoids screening. This approach was applied for profiling flavonoids in Astragali radix ( Huangqi), a famous herb widely used for medicinal and nutritional purposes in China. In total, 421 flavonoids were tentatively characterized, among which less than 40 have been previously reported in this medicinal plant. This MRM-based approach provides versatility and sensitivity that required for flavonoids profiling in plants and serves as a useful tool for plant metabolomics.

Analysis and correction of linear optics errors, and operational improvements in the Indus-2 storage ring

NASA Astrophysics Data System (ADS)

Husain, Riyasat; Ghodke, A. D.

2017-08-01

Estimation and correction of the optics errors in an operational storage ring is always vital to achieve the design performance. To achieve this task, the most suitable and widely used technique, called linear optics from closed orbit (LOCO) is used in almost all storage ring based synchrotron radiation sources. In this technique, based on the response matrix fit, errors in the quadrupole strengths, beam position monitor (BPM) gains, orbit corrector calibration factors etc. can be obtained. For correction of the optics, suitable changes in the quadrupole strengths can be applied through the driving currents of the quadrupole power supplies to achieve the desired optics. The LOCO code has been used at the Indus-2 storage ring for the first time. The estimation of linear beam optics errors and their correction to minimize the distortion of linear beam dynamical parameters by using the installed number of quadrupole power supplies is discussed. After the optics correction, the performance of the storage ring is improved in terms of better beam injection/accumulation, reduced beam loss during energy ramping, and improvement in beam lifetime. It is also useful in controlling the leakage in the orbit bump required for machine studies or for commissioning of new beamlines.

Na-Ion Intercalation and Charge Storage Mechanism in 2D Vanadium Carbide

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

Bak, Seong-Min; Qiao, Ruimin; Yang, Wanli

Two-dimensional vanadium carbide MXene containing surface functional groups (denoted as V2CTx, where Tx are surface functional groups) was synthesized and studied as anode material for Na-ion batteries. V2CTx anode exhibits reversible charge storage with good cycling stability and high rate capability through electrochemical test. The charge storage mechanism of V2CTx material during Na+ intercalation/deintercalation and the redox reaction of vanadium were studied using a combination of synchrotron based X-ray diffraction (XRD), hard X-ray absorption near edge spectroscopy (XANES) and soft X-ray absorption spectroscopy (sXAS). Experimental evidence of a major contribution of redox reaction of vanadium to the charge storage andmore » the reversible capacity of V2CTx during sodiation/desodiation process have been provided through V K-edge XANES and V L2,3-edge sXAS results. A correlation between the CO32- content and Na+ intercalation/deintercalation states in the V2CTx electrode observed from C and O K-edge in sXAS results imply that some additional charge storage reactions may take place between the Na+-intercalated V2CTx and the carbonate based non-aqueous electrolyte. The results of this study will provide valuable information for the further studies on V2CTx as anode material for Na-ion batteries and capacitors.« less

The ion dependent change in the mechanism of charge storage of chemically preintercalated bilayered vanadium oxide electrodes

NASA Astrophysics Data System (ADS)

Clites, Mallory; Pomerantseva, Ekaterina

2017-08-01

Chemical pre-intercalation is a soft chemistry synthesis approach that allows for the insertion of inorganic ions into the interlayer space of layered battery electrode materials prior to electrochemical cycling. Previously, we have demonstrated that chemical pre-intercalation of Na+ ions into the structure of bilayered vanadium oxide (δ-V2O5) results in record high initial capacities above 350 mAh g-1 in Na-ion cells. This performance is attributed to the expanded interlayer spacing and predefined diffusion pathways achieved by the insertion of charge-carrying ions. However, the effect of chemical pre-intercalation of δ-V2O5 has not been studied for other ion-based systems beyond sodium. In this work, we report the effect of the chemically preintercalated alkali ion size on the mechanism of charge storage of δ- MxV2O5 (M = Li, Na, K) in Li-ion, Na-ion, and K-ion batteries, respectively. The interlayer spacing of the δ-MxV2O5 varied depending on inserted ion, with 11.1 Å achieved for Li-preintercalated δ-V2O5, 11.4 Å for Na-preintercalated δ- V2O5, and 9.6 Å for K-preintercalated δ-V2O5. Electrochemical performance of each material has been studied in its respective ion-based system (δ-LixV2O5 in Li-ion cells, δ-NaxV2O5 in Na-ion cells, and δ-KxV2O5 in K-ion cells). All materials demonstrated high initial capacities above 200 mAh g-1. However, the mechanism of charge storage differed depending on the charge-carrying ion, with Li-ion cells demonstrating predominantly pseudocapacitive behavior and Naion and K-ion cells demonstrating a significant portion of capacity from diffusion-limited intercalation processes. In this study, the combination of increased ionic radii of the charge-carrying ions and decreased synthesized interlayer spacing of the bilayered vanadium oxide phase correlates to an increase in the portion of capacity attributed diffusion-limited charge-storage processes.

The different Li/Na ion storage mechanisms of nano Sb2O3 anchored on graphene

NASA Astrophysics Data System (ADS)

Li, Hai; Qian, Kun; Qin, Xianying; Liu, Dongqing; Shi, Ruiying; Ran, Aihua; Han, Cuiping; He, Yan-Bing; Kang, Feiyu; Li, Baohua

2018-05-01

The antimony oxide/reduced graphene oxide (Sb2O3/rGO) nanocomposites are used as anode of Li-ion and Na-ion batteries (LIBs and NIBs). However, it is unclear about Li-ion and Na-ion storage mechanism in Sb2O3/rGO nanocomposites. Herein, the conversion-alloying mechanisms of Sb2O3/rGO anodes for Na-ion and Li-ion storage are comparatively studied with a combined in-situ XRD and quasi in-situ XPS method. The distinct behaviours are monitored during (de)lithiation and (de)sodiation with respect to crystal structure and chemical composition evolution. It is evidenced that the Na-ion can be easily transported to the inner part of the Sb2O3, where the Li-ion almost cannot reach, leading to a fully transformation during sodiation. In addition, the conversion reaction product of amorphous Na2O display their better chemical stability than amorphous Li2O during electrochemical cycles, which contribute to a stable and long cycling life of NIBs. This work gain insight into the high-capacity anodes with conversation-alloying mechanism for NIBs.

Electrostatic Properties of Aqueous Salt Solution Interfaces: A Comparison of Polarizable and Non-Polarizable Ion Models

PubMed Central

Warren, G. Lee; Patel, Sandeep

2014-01-01

The effects of ion force field polarizability on the interfacial electrostatic properties of ~1 M aqueous solutions of NaCl, CsCl and NaI are investigated using molecular dynamics simulations employing both non-polarizable and Drude-polarizable ion sets. Differences in computed depth-dependent orientational distributions, “permanent” and induced dipole and quadrupole moment profiles, and interfacial potentials are obtained for both ion sets to further elucidate how ion polarizability affects interfacial electrostatic properties among the various salts relative to pure water. We observe that the orientations and induced dipoles of water molecules are more strongly perturbed in the presence of polarizable ions via a stronger ionic double layer effect arising from greater charge separation. Both anions and cations exhibit enhanced induced dipole moments and strong z alignment in the vicinity of the Gibbs dividing surface (GDS) with the magnitude of the anion induced dipoles being nearly an order of magnitude larger than those of the cations and directed into the vapor phase. Depth-dependent profiles for the trace and zz components of the water molecular quadrupole moment tensors reveal 40% larger quadrupole moments in the bulk phase relative to the vapor mimicking a similar observed 40% increase in the average water dipole moment. Across the GDS, the water molecular quadrupole moments increase non-monotonically (in contrast to the water dipoles) and exhibit a locally reduced contribution just below the surface due to both orientational and polarization effects. Computed interfacial potentials for the non-polarizable salts yield values 20 to 60 mV more positive than pure water and increase by an additional 30 to 100 mV when ion polarizability is included. A rigorous decomposition of the total interfacial potential into ion monopole, water and ion dipole, and water quadrupole components reveals that a very strong, positive ion monopole contribution is offset by

Structural water engaged disordered vanadium oxide nanosheets for high capacity aqueous potassium-ion storage.

PubMed

Charles, Daniel Scott; Feygenson, Mikhail; Page, Katharine; Neuefeind, Joerg; Xu, Wenqian; Teng, Xiaowei

2017-05-23

Aqueous electrochemical energy storage devices using potassium-ions as charge carriers are attractive due to their superior safety, lower cost and excellent transport properties compared to other alkali ions. However, the accommodation of potassium-ions with satisfactory capacity and cyclability is difficult because the large ionic radius of potassium-ions causes structural distortion and instabilities even in layered electrodes. Here we report that water induces structural rearrangements of the vanadium-oxygen octahedra and enhances stability of the highly disordered potassium-intercalated vanadium oxide nanosheets. The vanadium oxide nanosheets engaged by structural water achieves high capacity (183 mAh g -1 in half-cells at a scan rate of 5 mV s -1 , corresponding to 0.89 charge per vanadium) and excellent cyclability (62.5 mAh g -1 in full cells after 5,000 cycles at 10 C). The promotional effects of structural water on the disordered vanadium oxide nanosheets will contribute to the exploration of disordered structures from earth-abundant elements for electrochemical energy storage.

Structural water engaged disordered vanadium oxide nanosheets for high capacity aqueous potassium-ion storage

DOE PAGES

Charles, Daniel Scott; Feygenson, Mikhail; Page, Katharine; ...

2017-05-23

Aqueous electrochemical energy storage devices using potassium-ions as charge carriers are attractive due to their superior safety, lower cost and excellent transport properties compared to other alkali ions. However, the accommodation of potassium-ions with satisfactory capacity and cyclability is difficult because large ionic radius of potassium-ions causes structural distortion and instabilities even in layered electrodes. Here we report that water induces structural rearrangements of the vanadium-oxygen octahedra and enhances stability of the highly disordered potassium-intercalated vanadium oxide nanosheets. The vanadium oxide nanosheets engaged by structural water achieves high capacity (183 mAh g -1 in half-cells at a scan rate ofmore » 5 mV s -1, corresponding to 0.89 charge per vanadium) and excellent cyclability (62.5 mAh g -1 in full-cells after 5,000 cycles at 10 C). Finally, the promotional effects of structural water on the disordered vanadium oxide nanosheets will contribute to the exploration of disordered structures from earth-abundant elements for electrochemical energy storage.« less

Structural water engaged disordered vanadium oxide nanosheets for high capacity aqueous potassium-ion storage

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

Charles, Daniel Scott; Feygenson, Mikhail; Page, Katharine

Aqueous electrochemical energy storage devices using potassium-ions as charge carriers are attractive due to their superior safety, lower cost and excellent transport properties compared to other alkali ions. However, the accommodation of potassium-ions with satisfactory capacity and cyclability is difficult because large ionic radius of potassium-ions causes structural distortion and instabilities even in layered electrodes. Here we report that water induces structural rearrangements of the vanadium-oxygen octahedra and enhances stability of the highly disordered potassium-intercalated vanadium oxide nanosheets. The vanadium oxide nanosheets engaged by structural water achieves high capacity (183 mAh g -1 in half-cells at a scan rate ofmore » 5 mV s -1, corresponding to 0.89 charge per vanadium) and excellent cyclability (62.5 mAh g -1 in full-cells after 5,000 cycles at 10 C). Finally, the promotional effects of structural water on the disordered vanadium oxide nanosheets will contribute to the exploration of disordered structures from earth-abundant elements for electrochemical energy storage.« less

Averaging peak-to-peak voltage detector for absolute mass determination of single particles with quadrupole ion traps

NASA Astrophysics Data System (ADS)

Peng, Wen-Ping; Lee, Yuan T.; Ting, Joseph W.; Chang, Huan-Cheng

2005-02-01

A sine wave that controls a quadrupole ion trap is generated from a low voltage source, boosted to high voltage through a transformer. Since not even the best transformers can keep a flat amplitude response with respect to frequency, knowing the accurate peak-to-peak value of the sine wave is paramount when the frequency is varied. We have developed an averaging peak-to-peak voltage detector for such measurements and demonstrated that the device is an essential tool to make possible high-precision mass determination of single charged microparticles with masses greater than 1×1011u. Tests of the detector with sine waves from a FLUKE 5720A standard source in the neighborhood of 1400Vpp and frequencies ranging from 100to700Hz showed a measurement accuracy better than 10ppm. The detector settled within 5s after each reset to 5 digits of DVM rock-steady reading, and the calibration against the same source after 3weeks of continuous use of the circuit produced a mere overall 1ppm difference.

Suppressing Loss of Ions in an Atomic Clock

NASA Technical Reports Server (NTRS)

Prestage, John; Chung, Sang

2010-01-01

An improvement has been made in the design of a compact, highly stable mercury- ion clock to suppress a loss of ions as they are transferred between the quadrupole and higher multipole ion traps. Such clocks are being developed for use aboard spacecraft for navigation and planetary radio science. The modification is also applicable to ion clocks operating on Earth: indeed, the success of the modification has been demonstrated in construction and operation of a terrestrial breadboard prototype of the compact, highly stable mercury-ion clock. Selected aspects of the breadboard prototype at different stages of development were described in previous NASA Tech Briefs articles. The following background information is reviewed from previous articles: In this clock as in some prior ion clocks, mercury ions are shuttled between two ion traps, one a 16- pole linear radio-frequency trap, while the other is a quadrupole radio-frequency trap. In the quadrupole trap, ions are tightly confined and optical state selection from a 202Hg lamp is carried out. In the 16-pole trap, the ions are more loosely confined and atomic transitions are interrogated by use of a microwave beam at approximately 40.507 GHz. The trapping of ions effectively eliminates the frequency pulling that would otherwise be caused by collisions between clock atoms and the wall of a gas cell. The shuttling of the ions between the two traps enables separation of the state-selection process from the clock microwave-resonance process, so that each of these processes can be optimized independently of the other. This is similar to the operation of an atomic beam clock, except that with ions the beam can be halted and reversed as ions are shuttled back and forth between the two traps. When the two traps are driven at the same radio frequency, the strength of confinement can be reduced near the junction between the two traps, depending upon the relative phase of the RF voltage used to operate each of the two traps, and

Application of characteristic ion filtering with ultra-high performance liquid chromatography quadrupole time of flight tandem mass spectrometry for rapid detection and identification of chemical profiling in Eucommia ulmoides Oliv.

PubMed

He, Mingzhen; Jia, Jia; Li, Junmao; Wu, Bei; Huang, Wenping; Liu, Mi; Li, Yan; Yang, Shilin; Ouyang, Hui; Feng, Yulin

2018-06-15

Efficient targeted identification of chemical constituents from traditional Chinese medicine is still a major challenge. In this study, we used a characteristic ion filtering strategy to characterize compounds of Eucommia ulmoides Oliv. by ultra-high performance liquid chromatography quadrupole time of flight tandem mass spectrometry (UHPLC-ESI-Q-TOF-MS/MS). By using the ion filtering approach, target constituents of Eucommia ulmoides Oliv. were easily tentatively identified from the enormous LC/MS data set. The strategy consisted of the following three steps: 1) To establishing a characteristic ion database by diagnostic product ions or neutral loss fragments; 2) To evaluate the structural information of the compounds by high-resolution diagnostic characteristic ion filtering; 3) To confirm the different classes by chemical profiling according to their MS/MS spectra. In this study, characteristic ions are summarized as five major groups of compounds in Eucommia ulmoides Oliv. In total, 113 compounds were tentatively identified, including 23 potentially novel compounds. The results form a foundation for the quality control and chemical basis of Eucommia ulmoides Oliv. Copyright © 2018 Elsevier B.V. All rights reserved.

A Vibrating Wire System For Quadrupole Fiducialization

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

Wolf, Zachary

2010-12-13

A vibrating wire system is being developed to fiducialize the quadrupoles between undulator segments in the LCLS. This note provides a detailed analysis of the system. The LCLS will have quadrupoles between the undulator segments to keep the electron beam focused. If the quadrupoles are not centered on the beam axis, the beam will receive transverse kicks, causing it to deviate from the undulator axis. Beam based alignment will be used to move the quadrupoles onto a straight line, but an initial, conventional alignment must place the quadrupole centers on a straight line to 100 {micro}m. In the fiducialization stepmore » of the initial alignment, the position of the center of the quadrupole is measured relative to tooling balls on the outside of the quadrupole. The alignment crews then use the tooling balls to place the magnet in the tunnel. The required error on the location of the quadrupole center relative to the tooling balls must be less than 25 {micro}m. In this note, we analyze a system under construction for the quadrupole fiducialization. The system uses the vibrating wire technique to position a wire onto the quadrupole magnetic axis. The wire position is then related to tooling balls using wire position detectors. The tooling balls on the wire position detectors are finally related to tooling balls on the quadrupole to perform the fiducialization. The total 25 {micro}m fiducialization error must be divided between these three steps. The wire must be positioned onto the quadrupole magnetic axis to within 10 {micro}m, the wire position must be measured relative to tooling balls on the wire position detectors to within 15 {micro}m, and tooling balls on the wire position detectors must be related to tooling balls on the quadrupole to within 10 {micro}m. The techniques used in these three steps will be discussed. The note begins by discussing various quadrupole fiducialization techniques used in the past and discusses why the vibrating wire technique is our

A fragmentation study of dihydroquercetin using triple quadrupole mass spectrometry and its application for identification of dihydroflavonols in Citrus juices.

PubMed

Abad-García, Beatriz; Garmón-Lobato, Sergio; Berrueta, Luis A; Gallo, Blanca; Vicente, Francisca

2009-09-01

A mass spectrometric method using electrospray ionization with triple quadrupole and quadrupole time-of-flight hybrid (Q-Tof) mass spectrometry has been applied to the structural characterization of dihydroflavonols. This family of compounds has been studied by liquid chromatography/tandem mass spectrometry (LC/MS/MS) for the first time in this work. A comprehensive study of the product ion MS spectra of the [M+H](+) ion of a commercially available standard has been performed. The most useful fragmentations in terms of structural identification are those that involve cleavage of the C-ring, resulting in diagnostic ions of dihydroflavonol family: (1,3)A(0) (+), (1,2)B(0) (+), (1,2)B(0) (+)-CO, (0,2)A(0) (+), (0,2)A(0) (+)-H(2)O, (0,2)A(0) (+)-CO, and (0,2)A(0) (+)-H(2)O-CO, that allow the characterization of the substituents in the A- and B-rings. In addition to those ions, other product ions due to losses of H(2)O and CO molecules from the Y(0) (+) ion were observed. Their fragmentation mechanisms and ion structures have been proposed. The established fragmentation patterns have been used to successfully identity three dihydroflavonols found in tangerine juices for the first time. Copyright (c) 2009 John Wiley & Sons, Ltd.

Fragmentation pathways of 2-substituted pyrrole derivatives using electrospray ionization ion trap and electrospray ionization quadrupole time-of-flight mass spectrometry.

PubMed

Liang, Xianrui; Guo, Zili; Yu, Chuanming

2013-10-30

Pyrrole derivatives are of considerable importance and are present in a wide range of natural products and used extensively in drug discovery. Fragmentation pathway studies play an important role in the structural identification of pyrrole derivatives. As a part of our ongoing work on heterocycles, fragmentation pathways of 2-substituted pyrrole derivatives were investigated by mass spectrometry (MS). Twelve pyrrole derivatives were synthesized and analyzed. Low-resolution fragmentation ions of all the compounds were generated by ion trap mass spectrometry (ITMS(n) ) with an electrospray ionization (ESI) source in positive mode. Hybrid quadrupole time-of-flight mass spectrometry (QTOFMS) was used to determine the elemental compositions of the resultant product ions. The side-chain substituents at the 2-position influence the fragmentation pathways. Typical losses of H2 O, aldehydes and pyrrole moieties from the [M + H](+) ion are observed for the compounds with side chains bearing aromatic groups at the 2-position of the pyrrole. However, losses of H2 O, alcohols and C3 H6 are the main cleavage pathways for compounds 6 and 12 with nonphenyl-substituted side chains at the 2-position. Typical fragmentation mechanisms of 2-substituted pyrrole derivatives are proposed and elucidated based on the observations of ITMS(n) and QTOFMS spectra. The results showed that the fragmentation pathways were remarkably influenced by the side-chain substituents at the 2-position of pyrrole. This investigation should have value in the structural identification of this series of molecules or compounds with similar structures. Copyright © 2013 John Wiley & Sons, Ltd.

Na-Ion Intercalation and Charge Storage Mechanism in Two-Dimensional Vanadium Carbide

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

Bak, Seong -Min; Qiao, Ruimin; Yang, W.

We synthesized two-dimensional vanadium carbide MXene containing surface functional groups (denoted as V 2CT x, where T x are surface functional groups) and studied as anode material for Na-ion batteries. V 2CT x anode exhibits reversible charge storage with good cycling stability and high rate capability through electrochemical test. Furthermore, the charge storage mechanism of V 2CT x material during Na + intercalation/deintercalation and the redox reaction of vanadium were studied using a combination of synchrotron based X-ray diffraction (XRD), hard X-ray absorption near edge spectroscopy (XANES) and soft X-ray absorption spectroscopy (sXAS). Experimental evidence of a major contribution ofmore » redox reaction of vanadium to the charge storage and the reversible capacity of V 2CT x during sodiation/desodiation process have been provided through V K-edge XANES and V L2,3-edge sXAS results. A correlation between the CO 3 2- content and Na + intercalation/deintercalation states in the V 2CT x electrode observed from C and O K-edge in sXAS results imply that some additional charge storage reactions may take place between the Na +-intercalated V 2CT x and the carbonate based non-aqueous electrolyte. Our results of this study will provide valuable information for the further studies on V 2CT x as anode material for Na-ion batteries and capacitors.« less

Na-Ion Intercalation and Charge Storage Mechanism in Two-Dimensional Vanadium Carbide

DOE PAGES

Bak, Seong -Min; Qiao, Ruimin; Yang, W.; ...

2017-07-14

We synthesized two-dimensional vanadium carbide MXene containing surface functional groups (denoted as V 2CT x, where T x are surface functional groups) and studied as anode material for Na-ion batteries. V 2CT x anode exhibits reversible charge storage with good cycling stability and high rate capability through electrochemical test. Furthermore, the charge storage mechanism of V 2CT x material during Na + intercalation/deintercalation and the redox reaction of vanadium were studied using a combination of synchrotron based X-ray diffraction (XRD), hard X-ray absorption near edge spectroscopy (XANES) and soft X-ray absorption spectroscopy (sXAS). Experimental evidence of a major contribution ofmore » redox reaction of vanadium to the charge storage and the reversible capacity of V 2CT x during sodiation/desodiation process have been provided through V K-edge XANES and V L2,3-edge sXAS results. A correlation between the CO 3 2- content and Na + intercalation/deintercalation states in the V 2CT x electrode observed from C and O K-edge in sXAS results imply that some additional charge storage reactions may take place between the Na +-intercalated V 2CT x and the carbonate based non-aqueous electrolyte. Our results of this study will provide valuable information for the further studies on V 2CT x as anode material for Na-ion batteries and capacitors.« less

Electrochemically active, crystalline, mesoporous covalent organic frameworks on carbon nanotubes for synergistic lithium-ion battery energy storage

PubMed Central

Xu, Fei; Jin, Shangbin; Zhong, Hui; Wu, Dingcai; Yang, Xiaoqing; Chen, Xiong; Wei, Hao; Fu, Ruowen; Jiang, Donglin

2015-01-01

Organic batteries free of toxic metal species could lead to a new generation of consumer energy storage devices that are safe and environmentally benign. However, the conventional organic electrodes remain problematic because of their structural instability, slow ion-diffusion dynamics, and poor electrical conductivity. Here, we report on the development of a redox-active, crystalline, mesoporous covalent organic framework (COF) on carbon nanotubes for use as electrodes; the electrode stability is enhanced by the covalent network, the ion transport is facilitated by the open meso-channels, and the electron conductivity is boosted by the carbon nanotube wires. These effects work synergistically for the storage of energy and provide lithium-ion batteries with high efficiency, robust cycle stability, and high rate capability. Our results suggest that redox-active COFs on conducting carbons could serve as a unique platform for energy storage and may facilitate the design of new organic electrodes for high-performance and environmentally benign battery devices. PMID:25650133

Electrochemically active, crystalline, mesoporous covalent organic frameworks on carbon nanotubes for synergistic lithium-ion battery energy storage.

PubMed

Xu, Fei; Jin, Shangbin; Zhong, Hui; Wu, Dingcai; Yang, Xiaoqing; Chen, Xiong; Wei, Hao; Fu, Ruowen; Jiang, Donglin

2015-02-04

Organic batteries free of toxic metal species could lead to a new generation of consumer energy storage devices that are safe and environmentally benign. However, the conventional organic electrodes remain problematic because of their structural instability, slow ion-diffusion dynamics, and poor electrical conductivity. Here, we report on the development of a redox-active, crystalline, mesoporous covalent organic framework (COF) on carbon nanotubes for use as electrodes; the electrode stability is enhanced by the covalent network, the ion transport is facilitated by the open meso-channels, and the electron conductivity is boosted by the carbon nanotube wires. These effects work synergistically for the storage of energy and provide lithium-ion batteries with high efficiency, robust cycle stability, and high rate capability. Our results suggest that redox-active COFs on conducting carbons could serve as a unique platform for energy storage and may facilitate the design of new organic electrodes for high-performance and environmentally benign battery devices.

Klystron having electrostatic quadrupole focusing arrangement

DOEpatents

Maschke, Alfred W.

1983-08-30

A klystron includes a source for emitting at least one electron beam, and an accelerator for accelarating the beam in a given direction through a number of drift tube sections successively aligned relative to one another in the direction of the beam. A number of electrostatic quadrupole arrays are successively aligned relative to one another along at least one of the drift tube sections in the beam direction for focusing the electron beam. Each of the electrostatic quadrupole arrays forms a different quadrupole for each electron beam. Two or more electron beams can be maintained in parallel relationship by the quadrupole arrays, thereby enabling space charge limitations encountered with conventional single beam klystrons to be overcome.

Klystron having electrostatic quadrupole focusing arrangement

DOEpatents

Maschke, A.W.

1983-08-30

A klystron includes a source for emitting at least one electron beam, and an accelerator for accelerating the beam in a given direction through a number of drift tube sections successively aligned relative to one another in the direction of the beam. A number of electrostatic quadrupole arrays are successively aligned relative to one another along at least one of the drift tube sections in the beam direction for focusing the electron beam. Each of the electrostatic quadrupole arrays forms a different quadrupole for each electron beam. Two or more electron beams can be maintained in parallel relationship by the quadrupole arrays, thereby enabling space charge limitations encountered with conventional single beam klystrons to be overcome. 4 figs.

Unraveling the storage mechanism in organic carbonyl electrodes for sodium-ion batteries

PubMed Central

Wu, Xiaoyan; Jin, Shifeng; Zhang, Zhizhen; Jiang, Liwei; Mu, Linqin; Hu, Yong-Sheng; Li, Hong; Chen, Xiaolong; Armand, Michel; Chen, Liquan; Huang, Xuejie

2015-01-01

Organic carbonyl compounds represent a promising class of electrode materials for secondary batteries; however, the storage mechanism still remains unclear. We take Na2C6H2O4 as an example to unravel the mechanism. It consists of alternating Na-O octahedral inorganic layer and π-stacked benzene organic layer in spatial separation, delivering a high reversible capacity and first coulombic efficiency. The experiment and calculation results reveal that the Na-O inorganic layer provides both Na+ ion transport pathway and storage site, whereas the benzene organic layer provides electron transport pathway and redox center. Our contribution provides a brand-new insight in understanding the storage mechanism in inorganic-organic layered host and opens up a new exciting direction for designing new materials for secondary batteries. PMID:26601260

Microfabricated linear Paul-Straubel ion trap

DOEpatents

Mangan, Michael A [Albuquerque, NM; Blain, Matthew G [Albuquerque, NM; Tigges, Chris P [Albuquerque, NM; Linker, Kevin L [Albuquerque, NM

2011-04-19

An array of microfabricated linear Paul-Straubel ion traps can be used for mass spectrometric applications. Each ion trap comprises two parallel inner RF electrodes and two parallel outer DC control electrodes symmetric about a central trap axis and suspended over an opening in a substrate. Neighboring ion traps in the array can share a common outer DC control electrode. The ions confined transversely by an RF quadrupole electric field potential well on the ion trap axis. The array can trap a wide array of ions.

Transition energies and polarizabilities of hydrogen like ions in plasma

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

Das, Madhusmita

2012-09-15

Effect of plasma screening on various properties like transition energy, polarizability (dipole and quadrupole), etc. of hydrogen like ions is studied. The bound and free state wave functions and transition matrix elements are obtained by numerically integrating the radial Schrodinger equation for appropriate plasma potential. We have used adaptive step size controlled Runge-Kutta method to perform the numerical integration. Debye-Huckel potential is used to investigate the variation in transition lines and polarizabilities (dipole and quadrupole) with increasing plasma screening. For a strongly coupled plasma, ion sphere potential is used to show the variation in excitation energy with decreasing ion spheremore » radius. It is observed that plasma screening sets in phenomena like continuum lowering and pressure ionization, which are unique to ions in plasma. Of particular interest is the blue (red) shift in transitions conserving (non-conserving) principal quantum number. The plasma environment also affects the dipole and quadrupole polarizability of ions in a significant manner. The bound state contribution to polarizabilities decreases with increase in plasma density whereas the continuum contribution is significantly enhanced. This is a result of variation in the behavior of bound and continuum state wave functions in the presence of plasma. We have compared the results with existing theoretical and experimental data wherever present.« less

A trapped mercury 199 ion frequency standard

NASA Technical Reports Server (NTRS)

Cutler, L. S.; Giffard, R. P.; Mcguire, M. D.

1982-01-01

Mercury 199 ions confined in an RF quadrupole trap and optically pumped by mercury 202 ion resonance light are investigated as the basis for a high performance frequency standard with commercial possibilities. Results achieved and estimates of the potential performance of such a standard are given.

Colliding or co-rotating ion beams in storage rings for EDM search

NASA Astrophysics Data System (ADS)

Koop, I. A.

2015-11-01

A new approach to search for and measure the electric dipole moment (EDM) of the proton, deuteron and some other light nuclei is presented. The idea of the method is to store two ion beams, circulating with different velocities, in a storage ring with crossed electric and magnetic guiding fields. One beam is polarized and its EDM is measured using the so-called ‘frozen spin’ method. The second beam, which is unpolarized, is used as a co-magnetometer, sensitive to the radial component of the ring’s magnetic field. The particle’s magnetic dipole moment (MDM) couples to the radial magnetic field and mimics the EDM signal. Measuring the relative vertical orbit separation of the two beams, caused by the presence of the radial magnetic field, one can control the unwanted MDM spin precession. Examples of the parameters for EDM storage rings for protons and other species of ions are presented. The use of crossed electric and magnetic fields helps to reduce the size of the ring by a factor of 10-20. We show that the bending radius of such an EDM storage ring could be about 2-3 m. Finally, a new method of increasing the spin coherence time, the so-called ‘spin wheel’, is proposed and its applicability to the EDM search is discussed.

Experimental evidence of ion-induced instabilities in the NSLS-II storage ring

DOE PAGES

Cheng, Weixing; Li, Yongjun; Podobedov, Boris

2017-03-12

Fast ion instability has been identified as one of the most prominent instabilities in the recently constructed NSLS-II storage ring at Brookhaven National Laboratory. At a relatively low beam current (~ 25 mA) multi-bunch fills, ion-induced instabilities have already been observed during the early stages of machine commissioning. At present user operation with 250 mA in ~1000 bunches, the fast ion still remains the dominant instability, even after months of vacuum conditioning at high current. Ion-induced dipole motions of the electron beam have been suppressed using the transverse bunch-by-bunch (BxB) feedback system. However other adverse effects of this instability, suchmore » as the vertical beam size increase along the bunch train cannot be cured by the feedback system. Therefore, to achieve the NSLS-II design current of 500 mA while maintaining a small vertical beam emittance, it is important to further understand the fast ion instability and develop mitigation techniques. This paper reports on a series of ion-instability observations at various fill patterns and beam currents using start-of-art NSLS-II diagnostic tools.« less

Experimental evidence of ion-induced instabilities in the NSLS-II storage ring

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

Cheng, Weixing; Li, Yongjun; Podobedov, Boris

Fast ion instability has been identified as one of the most prominent instabilities in the recently constructed NSLS-II storage ring at Brookhaven National Laboratory. At a relatively low beam current (~ 25 mA) multi-bunch fills, ion-induced instabilities have already been observed during the early stages of machine commissioning. At present user operation with 250 mA in ~1000 bunches, the fast ion still remains the dominant instability, even after months of vacuum conditioning at high current. Ion-induced dipole motions of the electron beam have been suppressed using the transverse bunch-by-bunch (BxB) feedback system. However other adverse effects of this instability, suchmore » as the vertical beam size increase along the bunch train cannot be cured by the feedback system. Therefore, to achieve the NSLS-II design current of 500 mA while maintaining a small vertical beam emittance, it is important to further understand the fast ion instability and develop mitigation techniques. This paper reports on a series of ion-instability observations at various fill patterns and beam currents using start-of-art NSLS-II diagnostic tools.« less

Lithium adduct as precursor ion for sensitive and rapid quantification of 20 (S)-protopanaxadiol in rat plasma by liquid chromatography/quadrupole linear ion trap mass spectrometry and application to rat pharmacokinetic study.

PubMed

Bao, Yuanwu; Wang, Quanying; Tang, Pingming

2013-03-01

A novel, rapid and sensitive liquid chromatography/quadrupole linear ion trap mass spectrometry [LC-ESI-(QqLIT)MS/MS] method was developed and validated for the quantification of protopanaxadiol (PPD) in rat plasma. Oleanolic acid (OA) was used as internal standard (IS). A simple protein precipitation based on acetonitrile (ACN) was employed. Chromatographic separation was performed on a Sepax GP-C18 column (50 × 2.1 mm, 5 μM) with a mobile phase consisting of ACN-water and 1.5 μM formic acid and 25 mM lithium acetate (90 : 10, v/v) at a flow rate of 0.4 ml/min for 3.0 min. Multiple-reaction-monitoring mode was performed using lithium adduct ion as precursor ion of m/z 467.5/449.4 and 455.6/407.4 for the drug and IS, respectively. Calibration curve was recovered over a concentration range of 0.5-100 ng/ml with a correlation coefficient >0.99. The limit of detection was 0.2 ng/ml in rat plasma for PPD. The results of the intraday and interday precision and accuracy studies were well within the acceptable limits. The validated method was successfully applied to investigate the pharmacokinetic study of PPD after intravenous and gavage administration to rat. Copyright © 2013 John Wiley & Sons, Ltd.

Perturbative Particle Simulation for an Intense Ion Beam in a Periodic Quadrupole Focusing Field

NASA Astrophysics Data System (ADS)

Lee, W. W.

1996-11-01

footnotetext[1]This work is supported the DOE contract DE-AC02-76-CHO-3073. footnotetext[2]In collaboration with Q. Qian and R. C. Davidson, PPPL. Stability and transport properties of an intense ion beam propagating through an alternating-gradient quadrupole focusing field with initial Kapchinskij-Vladimirskij (KV) distribution(I. M. Kapchinksij and V. V. Vladimirskj, Proceedings of the International Conference on High Energy Accelerators and Instrumentation (CERN Geneva, 1959), p. 274.) are studied using newly-developed perturbative particle simulation techniques. Specifically, two different schemes have been investigated: the first is based on the δ f scheme originally developed for tokamak plasmas,(A. Dimits and W. W. Lee, J. Comput. Phys. 107), 309 (1993); S. Parker and W. W. Lee, Phys. Fluids B 5, 77 (1993). and the other is related to the linearized trajectory scheme.(J. Byers, Proceedings of the 4th Conference on Numerical Simulation of Plasmas, (NRL, Washington D.C., 1970),p.496.) While the former is useful for both linear and nonlinear simulations, the latter can be used for benchmark purpose. Stability properties and associated mode structures are investigated over a wide range of beam current and focusing field strength. The new schemes are found to be highly effective in describing detailed properties of beam stability and propagation over long distances. For example, a stable KV beam can indeed propagate over hundreds of lattice period in the simulation with negligible growth. On the other hand, in the unstable region when the beam current is sufficiently high,(I. Hoffman, L. Laslett, L. Smith, and I. Haber, Particle Accelerators 13), 145 (1983). large-amplitude density perturbations with (δ n)_max/hatn0 ~ 1 with low azimuthal harmonic numbers, concentrated near the beam surface, are observed. The corresponding mode structures are of Gaussian shape in the radial direction. The physics of nonlinear saturation and emittance growth will be discussed

Emittance measurements in low energy ion storage rings

NASA Astrophysics Data System (ADS)

Hunt, J. R.; Carli, C.; Resta-López, J.; Welsch, C. P.

2018-07-01

The development of the next generation of ultra-low energy antiproton and ion facilities requires precise information about the beam emittance to guarantee optimum performance. In the Extra-Low ENergy Antiproton storage ring (ELENA) the transverse emittances will be measured by scraping. However, this diagnostic measurement faces several challenges: non-zero dispersion, non-Gaussian beam distributions due to effects of the electron cooler and various systematic errors such as closed orbit offsets and inaccurate rms momentum spread estimation. In addition, diffusion processes, such as intra-beam scattering might lead to emittance overestimates. Here, we present algorithms to efficiently address the emittance reconstruction in presence of the above effects, and present simulation results for the case of ELENA.

Rapid and sensitive determination of major polyphenolic components in Euphoria longana Lam. seeds using matrix solid-phase dispersion extraction and UHPLC with hybrid linear ion trap triple quadrupole mass spectrometry.

PubMed

Rathore, Atul S; Sathiyanarayanan, L; Deshpande, Shreekant; Mahadik, Kakasaheb R

2016-11-01

A rapid and sensitive method for the extraction and determination of four major polyphenolic components in Euphoria longana Lam. seeds is presented for the first time based on matrix solid-phase dispersion extraction followed by ultra high performance liquid chromatography with hybrid triple quadrupole linear ion trap mass spectrometry. Matrix solid-phase dispersion method was designed for the extraction of Euphoria longana seed constituents and compared with microwave-assisted extraction and ultrasonic-assisted extraction methods. An Ultra high performance liquid chromatography with hybrid triple quadrupole linear ion-trap mass spectrometry method was developed for quantitative analysis in multiple-reaction monitoring mode in negative electrospray ionization. The chromatographic separation was accomplished using an ACQUITY UPLC BEH C 18 (2.1 mm × 50 mm, 1.7 μm) column with gradient elution of 0.1% aqueous formic acid and 0.1% formic acid in acetonitrile. The developed method was validated with acceptable linearity (r 2 > 0.999), precision (RSD ≤ 2.22%) and recovery (RSD ≤ 2.35%). The results indicated that matrix solid-phase dispersion produced comparable extraction efficiency compared with other methods nevertheless was more convenient and time-saving with reduced requirements on sample and solvent volumes. The proposed method is rapid and sensitive in providing a promising alternative for extraction and comprehensive determination of active components for quality control of Euphoria longana products. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Selective crystallization with preferred lithium-ion storage capability of inorganic materials

PubMed Central

2012-01-01

Lithium-ion batteries are supposed to be a key method to make a more efficient use of energy. In the past decade, nanostructured electrode materials have been extensively studied and have presented the opportunity to achieve superior performance for the next-generation batteries which require higher energy and power densities and longer cycle life. In this article, we reviewed recent research activities on selective crystallization of inorganic materials into nanostructured electrodes for lithium-ion batteries and discuss how selective crystallization can improve the electrode performance of materials; for example, selective exposure of surfaces normal to the ionic diffusion paths can greatly enhance the ion conductivity of insertion-type materials; crystallization of alloying-type materials into nanowire arrays has proven to be a good solution to the electrode pulverization problem; and constructing conversion-type materials into hollow structures is an effective approach to buffer the volume variation during cycling. The major goal of this review is to demonstrate the importance of crystallization in energy storage applications. PMID:22353373

MeV ion-beam analysis of optical data storage films

NASA Technical Reports Server (NTRS)

Leavitt, J. A.; Mcintyre, L. C., Jr.; Lin, Z.

1993-01-01

Our objectives are threefold: (1) to accurately characterize optical data storage films by MeV ion-beam analysis (IBA) for ODSC collaborators; (2) to develop new and/or improved analysis techniques; and (3) to expand the capabilities of the IBA facility itself. Using H-1(+), He-4(+), and N-15(++) ion beams in the 1.5 MeV to 10 MeV energy range from a 5.5 MV Van de Graaff accelerator, film thickness (in atoms/sq cm), stoichiometry, impurity concentration profiles, and crystalline structure were determined by Rutherford backscattering (RBS), high-energy backscattering, channeling, nuclear reaction analysis (NRA) and proton induced X-ray emission (PIXE). Most of these techniques are discussed in detail in the ODSC Annual Report (February 17, 1987), p. 74. The PIXE technique is briefly discussed in the ODSC Annual Report (March 15, 1991), p. 23.

Permanent magnet edge-field quadrupole

DOEpatents

Tatchyn, Roman O.

1997-01-01

Planar permanent magnet edge-field quadrupoles for use in particle accelerating machines and in insertion devices designed to generate spontaneous or coherent radiation from moving charged particles are disclosed. The invention comprises four magnetized rectangular pieces of permanent magnet material with substantially similar dimensions arranged into two planar arrays situated to generate a field with a substantially dominant quadrupole component in regions close to the device axis.

Lifetimes of relativistic heavy-ion beams in the High Energy Storage Ring of FAIR

NASA Astrophysics Data System (ADS)

Shevelko, V. P.; Litvinov, Yu. A.; Stöhlker, Th.; Tolstikhina, I. Yu.

2018-04-01

The High Energy Storage Ring, HESR, will be constructed at the Facility for Antiproton and Ion Research, FAIR, Darmstadt. For the first time, it will be possible to perform experiments with cooled high-intensity stable and radioactive heavy ions at highly relativistic energies. To design experiments at the HESR, realistic estimations of beam lifetimes are indispensable. Here we report calculated cross sections and lifetimes for typical U88+ , U90+ , U92+ , Sn49+ and Sn50+ ions in the energy range E = 400 MeV/u-5 GeV/u, relevant for the HESR. Interactions with the residual gas and with internal gas-jet targets are also considered.

Multi-elemental analysis of aqueous geochemical samples by quadrupole inductively coupled plasma-mass spectrometry (ICP-MS)

USGS Publications Warehouse

Wolf, Ruth E.; Adams, Monique

2015-01-01

Typically, quadrupole inductively coupled plasma-mass spectrometry (ICP-MS) is used to determine as many as 57 major, minor, and trace elements in aqueous geochemical samples, including natural surface water and groundwater, acid mine drainage water, and extracts or leachates from geological samples. The sample solution is aspirated into the inductively coupled plasma (ICP) which is an electrodeless discharge of ionized argon gas at a temperature of approximately 6,000 degrees Celsius. The elements in the sample solution are subsequently volatilized, atomized, and ionized by the ICP. The ions generated are then focused and introduced into a quadrupole mass filter which only allows one mass to reach the detector at a given moment in time. As the settings of the mass analyzer change, subsequent masses are allowed to impact the detector. Although the typical quadrupole ICP-MS system is a sequential scanning instrument (determining each mass separately), the scan speed of modern instruments is on the order of several thousand masses per second. Consequently, typical total sample analysis times of 2–3 minutes are readily achievable for up to 57 elements.

Quantum mechanics in rotating-radio-frequency traps and Penning traps with a quadrupole rotating field

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

Abe, K.; Hasegawa, T.

2010-03-15

Quantum-mechanical analysis of ion motion in a rotating-radio-frequency (rrf) trap or in a Penning trap with a quadrupole rotating field is carried out. Rrf traps were introduced by Hasegawa and Bollinger [Phys. Rev. A 72, 043404 (2005)]. The classical motion of a single ion in this trap is described by only trigonometric functions, whereas in the conventional linear radio-frequency (rf) traps it is by the Mathieu functions. Because of the simple classical motion in the rrf trap, it is expected that the quantum-mechanical analysis of the rrf traps is also simple compared to that of the linear rf traps. Themore » analysis of Penning traps with a quadrupole rotating field is also possible in a way similar to the rrf traps. As a result, the Hamiltonian in these traps is the same as the two-dimensional harmonic oscillator, and energy levels and wave functions are derived as exact results. In these traps, it is found that one of the vibrational modes in the rotating frame can have negative energy levels, which means that the zero-quantum-number state (''ground'' state) is the highest energy state.« less

Tuning the Shell Number of Multishelled Metal Oxide Hollow Fibers for Optimized Lithium-Ion Storage.

PubMed

Sun, Jin; Lv, Chunxiao; Lv, Fan; Chen, Shuai; Li, Daohao; Guo, Ziqi; Han, Wei; Yang, Dongjiang; Guo, Shaojun

2017-06-27

Searching the long-life transition-metal oxide (TMO)-based materials for future lithium-ion batteries (LIBs) is still a great challenge because of the mechanical strain resulting from volume change of TMO anodes during the lithiation/delithiation process. To well address this challenging issue, we demonstrate a controlled method for making the multishelled TMO hollow microfibers with tunable shell numbers to achieve the optimal void for efficient lithium-ion storage. Such a particularly designed void can lead to a short diffusion distance for fast diffusion of Li + ions and also withstand a large volume variation upon cycling, both of which are the key for high-performance LIBs. Triple-shelled TMO hollow microfibers are a quite stable anode material for LIBs with high reversible capacities (NiO: 698.1 mA h g -1 at 1 A g -1 ; Co 3 O 4 : 940.2 mA h g -1 at 1 A g -1 ; Fe 2 O 3 : 997.8 mA h g -1 at 1 A g -1 ), excellent rate capability, and stability. The present work opens a way for rational design of the void of multiple shells in achieving the stable lithium-ion storage through the biomass conversion strategy.

Permanent magnet edge-field quadrupole

DOEpatents

Tatchyn, R.O.

1997-01-21

Planar permanent magnet edge-field quadrupoles for use in particle accelerating machines and in insertion devices designed to generate spontaneous or coherent radiation from moving charged particles are disclosed. The invention comprises four magnetized rectangular pieces of permanent magnet material with substantially similar dimensions arranged into two planar arrays situated to generate a field with a substantially dominant quadrupole component in regions close to the device axis. 10 figs.

Design of An Improved Miniature Ion Neutral Mass Spectrometer for NASA Applications

NASA Technical Reports Server (NTRS)

Swaminathan, Viji K.; Alig, Roger C.

1997-01-01

The ion optics of NASA's Ion Neutral Mass Spectrometer (INMS) sensor was simulated with three dimensional models of the open source, the quadrupole deflector, the exit lens system and the quadrupole mass analyzer to design more compact models with lower weight. Comparison of calculated transmission with experimental results shows good agreement. Transmission analyses with varying geometrical parameters and voltages throw light on possible ways of reducing the size of the sensor. Trajectories of ions of mass 1-99 amu were simulated to analyze and optimize transmission. Analysis of open source transmission with varying angle of attack shows that the angular acceptance can be considerably increased by programming the voltages on the ion trap/ collimator. Analysis of transmission sensitivity to voltages and misalignments of the quadrupole deflector rods indicate that increased transmission is possible with a geometrically asymmetrical deflector and a deflector can be designed with much lower sensitivities of transmission. Bringing the disks closer together can decrease the size of the quadrupole deflector and also increase transmission. The exit lens system can be redesigned to be smaller by eliminating at least one electrode entirely without loss of transmission. Ceramic materials were investigated to find suitable candidates for use in the construction of lighter weight mass spectrometer. A high-sensitivity, high-resolution portable gas chromatograph mass spectrometer with a mass range of 2-700 amu has been built and will be commercialized in Phase 3.

Supersonic Quadrupole Noise Theory for High-Speed Helicopter Rotors

NASA Technical Reports Server (NTRS)

Farassat, F.; Brentner, Kenneth S.

1997-01-01

High-speed helicopter rotor impulsive noise prediction is an important problem of aeroacoustics. The deterministic quadrupoles have been shown to contribute significantly to high-speed impulsive (HSI) noise of rotors, particularly when the phenomenon of delocalization occurs. At high rotor-tip speeds, some of the quadrupole sources lie outside the sonic circle and move at supersonic speed. Brentner has given a formulation suitable for efficient prediction of quadrupole noise inside the sonic circle. In this paper, we give a simple formulation based on the acoustic analogy that is valid for both subsonic and supersonic quadrupole noise prediction. Like the formulation of Brentner, the model is exact for an observer in the far field and in the rotor plane and is approximate elsewhere. We give the full analytic derivation of this formulation in the paper. We present the method of implementation on a computer for supersonic quadrupoles using marching cubes for constructing the influence surface (Sigma surface) of an observer space- time variable (x; t). We then present several examples of noise prediction for both subsonic and supersonic quadrupoles. It is shown that in the case of transonic flow over rotor blades, the inclusion of the supersonic quadrupoles improves the prediction of the acoustic pressure signature. We show the equivalence of the new formulation to that of Brentner for subsonic quadrupoles. It is shown that the regions of high quadrupole source strength are primarily produced by the shock surface and the flow over the leading edge of the rotor. The primary role of the supersonic quadrupoles is to increase the width of a strong acoustic signal.

Nuclear Quadrupole Moments and Nuclear Shell Structure

DOE R&D Accomplishments Database

Townes, C. H.; Foley, H. M.; Low, W.

1950-06-23

Describes a simple model, based on nuclear shell considerations, which leads to the proper behavior of known nuclear quadrupole moments, although predictions of the magnitudes of some quadrupole moments are seriously in error.

Highly Dynamic Anion-Quadrupole Networks in Proteins.

PubMed

Kapoor, Karan; Duff, Michael R; Upadhyay, Amit; Bucci, Joel C; Saxton, Arnold M; Hinde, Robert J; Howell, Elizabeth E; Baudry, Jerome

2016-11-01

The dynamics of anion-quadrupole (or anion-π) interactions formed between negatively charged (Asp/Glu) and aromatic (Phe) side chains are for the first time computationally characterized in RmlC (Protein Data Bank entry 1EP0 ), a homodimeric epimerase. Empirical force field-based molecular dynamics simulations predict anion-quadrupole pairs and triplets (anion-anion-π and anion-π-π) are formed by the protein during the simulated trajectory, which suggests that the anion-quadrupole interactions may provide a significant contribution to the overall stability of the protein, with an average of -1.6 kcal/mol per pair. Some anion-π interactions are predicted to form during the trajectory, extending the number of anion-quadrupole interactions beyond those predicted from crystal structure analysis. At the same time, some anion-π pairs observed in the crystal structure exhibit marginal stability. Overall, most anion-π interactions alternate between an "on" state, with significantly stabilizing energies, and an "off" state, with marginal or null stabilizing energies. The way proteins possibly compensate for transient loss of anion-quadrupole interactions is characterized in the RmlC aspartate 84-phenylalanine 112 anion-quadrupole pair observed in the crystal structure. A double-mutant cycle analysis of the thermal stability suggests a possible loss of anion-π interactions compensated by variations of hydration of the residues and formation of compensating electrostatic interactions. These results suggest that near-planar anion-quadrupole pairs can exist, sometimes transiently, which may play a role in maintaining the structural stability and function of the protein, in an otherwise very dynamic interplay of a nonbonded interaction network as well as solvent effects.

Micromechanical Modeling of Storage Particles in Lithium Ion Batteries

NASA Astrophysics Data System (ADS)

Purkayastha, Rajlakshmi Tarun

The effect of stress on storage particles within a lithium ion battery, while acknowledged, is not understood very well. In this work three non-dimensional parameters were identified which govern the stress response within a spherical storage particle. These parameters are developed using material properties such as the diffusion coefficient, particle radius, partial molar volume and Young's modulus. Stress maps are then generated for various values of these parameters for fixed rates of insertion, applying boundary conditions similar to those found in a battery. Stress and concentration profiles for various values of these parameters show the coupling between stress and concentration is magnified depending on the values of the parameters. These maps can be used for different materials, depending on the value of the dimensionless parameters. The value of maximum stress generated is calculated for extraction as well as insertion of lithium into the particle. The model was then used to study to ellipsoidal particles in order to ascertain the effect of geometry on the maximum stress within the particle. By performing a parameter study, we can identify those materials for which particular aspect ratios of ellipsoids are more beneficial, in terms of reducing stress. We find that the stress peaks at certain aspect ratios, mostly at 2 and 1/ 2 . A parameter study was also performed on cubic particle. The values of maximum stresses for both insertion and extraction of lithium were plotted as contour plots. It was seen that the material parameters influenced the location of the maximum stress, with the maximum stress occurring either at the center of the edge between two faces or the point at the center of a face. Newer materials such as silicon are being touted as new lithium storage materials for batteries due to their higher capacity. Their tendency to rapidly loose capacity in a short period of time has led to a variety designs such are the use of carbon nanotubes or

Microfabricated Ion Beam Drivers for Magnetized Target Fusion

NASA Astrophysics Data System (ADS)

Persaud, Arun; Seidl, Peter; Ji, Qing; Ardanuc, Serhan; Miller, Joseph; Lal, Amit; Schenkel, Thomas

2015-11-01

Efficient, low-cost drivers are important for Magnetized Target Fusion (MTF). Ion beams offer a high degree of control to deliver the required mega joules of driver energy for MTF and they can be matched to several types of magnetized fuel targets, including compact toroids and solid targets. We describe an ion beam driver approach based on the MEQALAC concept (Multiple Electrostatic Quadrupole Array Linear Accelerator) with many beamlets in an array of micro-fabricated channels. The channels consist of a lattice of electrostatic quadrupoles (ESQ) for focusing and of radio-frequency (RF) electrodes for ion acceleration. Simulations with particle-in-cell and beam envelope codes predict >10x higher current densities compared to state-of-the-art ion accelerators. This increase results from dividing the total ion beam current up into many beamlets to control space charge forces. Focusing elements can be biased taking advantage of high breakdown electric fields in sub-mm structures formed using MEMS techniques (Micro-Electro-Mechanical Systems). We will present results on ion beam transport and acceleration in MEMS based beamlets. Acknowledgments: This work is supported by the U.S. DOE under Contract No. DE-AC02-05CH11231.

Matter-wave solitons supported by quadrupole-quadrupole interactions and anisotropic discrete lattices

NASA Astrophysics Data System (ADS)

Zhong, Rong-Xuan; Huang, Nan; Li, Huang-Wu; He, He-Xiang; Lü, Jian-Tao; Huang, Chun-Qing; Chen, Zhao-Pin

2018-04-01

We numerically and analytically investigate the formations and features of two-dimensional discrete Bose-Einstein condensate solitons, which are constructed by quadrupole-quadrupole interactional particles trapped in the tunable anisotropic discrete optical lattices. The square optical lattices in the model can be formed by two pairs of interfering plane waves with different intensities. Two hopping rates of the particles in the orthogonal directions are different, which gives rise to a linear anisotropic system. We find that if all of the pairs of dipole and anti-dipole are perpendicular to the lattice panel and the line connecting the dipole and anti-dipole which compose the quadrupole is parallel to horizontal direction, both the linear anisotropy and the nonlocal nonlinear one can strongly influence the formations of the solitons. There exist three patterns of stable solitons, namely horizontal elongation quasi-one-dimensional discrete solitons, disk-shape isotropic pattern solitons and vertical elongation quasi-continuous solitons. We systematically demonstrate the relationships of chemical potential, size and shape of the soliton with its total norm and vertical hopping rate and analytically reveal the linear dispersion relation for quasi-one-dimensional discrete solitons.

Utility-Scale Lithium-Ion Storage Cost Projections for Use in Capacity Expansion Models

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

Cole, Wesley J.; Marcy, Cara; Krishnan, Venkat K.

2016-11-21

This work presents U.S. utility-scale battery storage cost projections for use in capacity expansion models. We create battery cost projections based on a survey of literature cost projections of battery packs and balance of system costs, with a focus on lithium-ion batteries. Low, mid, and high cost trajectories are created for the overnight capital costs and the operating and maintenance costs. We then demonstrate the impact of these cost projections in the Regional Energy Deployment System (ReEDS) capacity expansion model. We find that under reference scenario conditions, lower battery costs can lead to increased penetration of variable renewable energy, withmore » solar photovoltaics (PV) seeing the largest increase. We also find that additional storage can reduce renewable energy curtailment, although that comes at the expense of additional storage losses.« less

HPLC/ESI-quadrupole ion trap mass spectrometry for characterization and direct quantification of amphoteric and nonionic surfactants in aqueous samples

NASA Technical Reports Server (NTRS)

Levine, Lanfang H.; Garland, Jay L.; Johnson, Jodie V.

2002-01-01

An amphoteric (cocamidopropylbetaine, CAPB) and a nonionic (alcohol polyethoxylate, AE) surfactant were characterized by electrospray ionization quadrupole ion trap mass spectrometry (ESI-MS) as to their homologue distribution and ionization/fragmentation chemistry. Quantitative methods involving reversed-phase gradient HPLC and (+)ESI-MSn were developed to directly determine these surfactants in hydroponic plant growth medium that received simulated graywater. The predominant homologues, 12 C alkyl CAPB and 9 EO AE, were monitored to represent the total amount of the respective surfactants. The methods demonstrated dynamic linear ranges of 0.5-250 ng (r2 > 0.996) for CAPB and 8-560 ng (r2 > 0.998) for AE homologue mixture, corresponding to minimum quantification limits of 25 ppb CAPB and 0.4 ppm AE with 20-microL injections. This translated into an even lower limit for individual components due to the polydispersive nature of the surfactants. The procedure was successfully employed for the assessment of CAPB and AE biodegradation in a hydroponic plant growth system used as a graywater bioreactor.

Nonuniform radiation damage in permanent magnet quadrupoles.

PubMed

Danly, C R; Merrill, F E; Barlow, D; Mariam, F G

2014-08-01

We present data that indicate nonuniform magnetization loss due to radiation damage in neodymium-iron-boron Halbach-style permanent magnet quadrupoles. The proton radiography (pRad) facility at Los Alamos uses permanent-magnet quadrupoles for magnifying lenses, and a system recently commissioned at GSI-Darmsdadt uses permanent magnets for its primary lenses. Large fluences of spallation neutrons can be produced in close proximity to these magnets when the proton beam is, intentionally or unintentionally, directed into the tungsten beam collimators; imaging experiments at LANL's pRad have shown image degradation with these magnetic lenses at proton beam doses lower than those expected to cause damage through radiation-induced reduction of the quadrupole strength alone. We have observed preferential degradation in portions of the permanent magnet quadrupole where the field intensity is highest, resulting in increased high-order multipole components.

High-Level Heteroatom Doped Two-Dimensional Carbon Architectures for Highly Efficient Lithium-Ion Storage.

PubMed

Wang, Zhijie; Wang, Yanyan; Wang, Wenhui; Yu, Xiaoliang; Lv, Wei; Xiang, Bin; He, Yan-Bing

2018-01-01

In this work, high-level heteroatom doped two-dimensional hierarchical carbon architectures (H-2D-HCA) are developed for highly efficient Li-ion storage applications. The achieved H-2D-HCA possesses a hierarchical 2D morphology consisting of tiny carbon nanosheets vertically grown on carbon nanoplates and containing a hierarchical porosity with multiscale pore size. More importantly, the H-2D-HCA shows abundant heteroatom functionality, with sulfur (S) doping of 0.9% and nitrogen (N) doping of as high as 15.5%, in which the electrochemically active N accounts for 84% of total N heteroatoms. In addition, the H-2D-HCA also has an expanded interlayer distance of 0.368 nm. When used as lithium-ion battery anodes, it shows excellent Li-ion storage performance. Even at a high current density of 5 A g -1 , it still delivers a high discharge capacity of 329 mA h g -1 after 1,000 cycles. First principle calculations verifies that such unique microstructure characteristics and high-level heteroatom doping nature can enhance Li adsorption stability, electronic conductivity and Li diffusion mobility of carbon nanomaterials. Therefore, the H-2D-HCA could be promising candidates for next-generation LIB anodes.

High-Level Heteroatom Doped Two-Dimensional Carbon Architectures for Highly Efficient Lithium-Ion Storage

PubMed Central

Wang, Zhijie; Wang, Yanyan; Wang, Wenhui; Yu, Xiaoliang; Lv, Wei; Xiang, Bin; He, Yan-Bing

2018-01-01

In this work, high-level heteroatom doped two-dimensional hierarchical carbon architectures (H-2D-HCA) are developed for highly efficient Li-ion storage applications. The achieved H-2D-HCA possesses a hierarchical 2D morphology consisting of tiny carbon nanosheets vertically grown on carbon nanoplates and containing a hierarchical porosity with multiscale pore size. More importantly, the H-2D-HCA shows abundant heteroatom functionality, with sulfur (S) doping of 0.9% and nitrogen (N) doping of as high as 15.5%, in which the electrochemically active N accounts for 84% of total N heteroatoms. In addition, the H-2D-HCA also has an expanded interlayer distance of 0.368 nm. When used as lithium-ion battery anodes, it shows excellent Li-ion storage performance. Even at a high current density of 5 A g−1, it still delivers a high discharge capacity of 329 mA h g−1 after 1,000 cycles. First principle calculations verifies that such unique microstructure characteristics and high-level heteroatom doping nature can enhance Li adsorption stability, electronic conductivity and Li diffusion mobility of carbon nanomaterials. Therefore, the H-2D-HCA could be promising candidates for next-generation LIB anodes. PMID:29686985

High-Level Heteroatom Doped Two-Dimensional Carbon Architectures for Highly Efficient Lithium-Ion Storage

NASA Astrophysics Data System (ADS)

Wang, Zhijie; Wang, Yanyan; Wang, Wenhui; Yu, Xiaoliang; Lv, Wei; Xiang, Bin; He, Yan-Bing

2018-04-01

In this work, high-level heteroatom doped two-dimensional hierarchical carbon architectures (H-2D-HCA) are developed for highly efficient Li-ion storage applications. The achieved H-2D-HCA possesses a hierarchical 2D morphology consisting of tiny carbon nanosheets vertically grown on carbon nanoplates and containing a hierarchical porosity with multiscale pore size. More importantly, the H-2D-HCA shows abundant heteroatom functionality, with sulfur (S) doping of 0.9 % and nitrogen (N) doping of as high as 15.5 %, in which the electrochemically active N accounts for 84 % of total N heteroatoms. In addition, the H-2D-HCA also has an expanded interlayer distance of 0.368 nm. When used as lithium-ion battery anodes, it shows excellent Li-ion storage performance. Even at a high current density of 5 A g-1, it still delivered a high discharge capacity of 329 mA h g-1 after 1000 cycles. First principle calculations verified that such unique microstructure characteristics and high-level heteroatom doping nature can enhance Li adsorption stability, electronic conductivity and Li diffusion mobility of carbon nanomaterials. Therefore, the H-2D-HCA could be promising candidates for next-generation LIB anodes.

Modified quadrupole mass analyzer RGA-100 for beam plasma research in forevacuum pressure range

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

Zolotukhin, D. B.; Tyunkov, A. V.; Yushkov, Yu. G., E-mail: yuyushkov@gmail.com

2015-12-15

The industrial quadrupole RGA-100 residual gas analyzer was modified for the research of electron beam-generated plasma at forevacuum pressure range. The standard ionizer of the RGA-100 was replaced by three electrode extracting unit. We made the optimization of operation parameters in order to provide the maximum values of measured currents of any ion species. The modified analyzer was successfully tested with beam plasma of argon, nitrogen, oxygen, and hydrocarbons.

Ab initio correlated calculations of rare-gas dimer quadrupoles

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

Donchev, Alexander G.

2007-10-15

This paper reports ab initio calculations of rare gas (RG=Kr, Ar, Ne, and He) dimer quadrupoles at the second order of Moeller-Plesset perturbation theory (MP2). The study reveals the crucial role of the dispersion contribution to the RG{sub 2} quadrupole in the neighborhood of the equilibrium dimer separation. The magnitude of the dispersion quadrupole is found to be much larger than that predicted by the approximate model of Hunt. As a result, the total MP2 quadrupole moment is significantly smaller than was assumed in virtually all previous related studies. An analytical model for the distance dependence of the RG{sub 2}more » quadrupole is proposed. The model is based on the effective-electron approach of Jansen, but replaces the original Gaussian approximation to the electron density in an RG atom by an exponential one. The role of the nonadditive contribution in RG{sub 3} quadrupoles is discussed.« less

Chemical interaction between Lilium brownii and Rhizoma Anemarrhenae, the herbal constituents of Baihe Zhimu decoction, by liquid chromatography coupled to hybrid triple quadrupole linear ion trap mass spectrometer.

PubMed

Yang, Bo; Liu, Zhirui; Wang, Qian; Xia, Peiyuan

2018-03-01

During the course of decoction, the components of herbal formula interact with each other, such that chemical extraction characteristics are altered. The crude drugs, Lilium brownii (Baihe) and Rhizoma Anemarrhenae (Zhimu), are the herbal constituents of Baihe Zhimu decoction, a traditional herbal formula. To investigate the chemical interaction between Baihe and Zhimu when decocting together, eight marker components in Baihe Zhimu decoction were simultaneously characterized and quantified in one run by a hybrid triple quadrupole linear ion trap mass spectrometer in the multiple reactions monitoring-information dependent acquisition-enhanced product ion mode. The results showed that Zhimu significantly suppressed the extraction of phenolic glycosides (the components from Baihe) when co-decocting, and Baihe clearly suppressed the extraction of xanthones and steroidal saponins (the components from Zhimu). Overall, the presently developed method would be a preferred candidate for the investigation of the chemical interaction between herbal medicines. Copyright © 2017 John Wiley & Sons, Ltd.

Induced CMB quadrupole from pointing offsets

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

Moss, Adam; Scott, Douglas; Sigurdson, Kris, E-mail: adammoss@phas.ubc.ca, E-mail: dscott@phas.ubc.ca, E-mail: krs@phas.ubc.ca

2011-01-01

Recent claims in the literature have suggested that the WMAP quadrupole is not primordial in origin, and arises from an aliasing of the much larger dipole field because of incorrect satellite pointing. We attempt to reproduce this result and delineate the key physics leading to the effect. We find that, even if real, the induced quadrupole would be smaller than the WMAP value. We discuss reasons why the WMAP data are unlikely to suffer from this particular systematic effect, including the implications for observations of point sources. Given this evidence against the reality of the effect, the similarity between themore » pointing-offset-induced signal and the actual quadrupole then appears to be quite puzzling. However, we find that the effect arises from a convolution between the gradient of the dipole field and anisotropic coverage of the scan direction at each pixel. There is something of a directional conspiracy here — the dipole signal lies close to the Ecliptic Plane, and its direction, together with the WMAP scan strategy, results in a strong coupling to the Y{sub 2,−1} component in Ecliptic co-ordinates. The dominant strength of this component in the measured quadrupole suggests that one should exercise increased caution in interpreting its estimated amplitude. The Planck satellite has a different scan strategy which does not so directly couple the dipole and quadrupole in this way and will soon provide an independent measurement.« less

Development of C6+ laser ion source and RFQ linac for carbon ion radiotherapy

NASA Astrophysics Data System (ADS)

Sako, T.; Yamaguchi, A.; Sato, K.; Goto, A.; Iwai, T.; Nayuki, T.; Nemoto, K.; Kayama, T.; Takeuchi, T.

2016-02-01

A prototype C6+ injector using a laser ion source has been developed for a compact synchrotron dedicated to carbon ion radiotherapy. The injector consists of a laser ion source and a 4-vane radio-frequency quadrupole (RFQ) linac. Ion beams are extracted from plasma and directly injected into the RFQ. A solenoid guides the low-energy beams into the RFQ. The RFQ is designed to accelerate high-intensity pulsed beams. A structure of monolithic vanes and cavities is adopted to reduce its power consumption. In beam acceleration tests, a solenoidal magnetic field set between the laser ion source and the RFQ helped increase both the peak currents before and after the RFQ by a factor of 4.

Preliminary Design of the Vacuum System for FAIR Super FRS Quadrupole Magnet Cryostat

NASA Astrophysics Data System (ADS)

Akhter, J.; Pal, G.; Datta, A.; Sarma, P. R.; Bhunia, U.; Roy, S.; Bhattacharyya, S.; Nandi, C.; Mallik, C.; Bhandari, R. K.

2012-11-01

The Super-Conducting Fragment Separator (Super FRS) of the Facility for Antiproton and Ion Research (FAIR) at GSI Darmstadt is a large-acceptance superonducting fragment separator. The separator consists of large dipole, quadrupole and hexapole superconducting magnets. The long quadrupole magnet cryostat houses the helium chamber, which has the magnet iron and NbTi superconducting coil. The magnet weighs about 30 tons. The helium chamber is enclosed in vacuum inside the magnet cryostat. Multilayer Insulation (MLI) will be wrapped around the thermal shield to reduce radiation loss. Polyster of MLI comprises the major component responsible for outgassing. In order to reduce outgassing, pumping at elevated temperatures has to be carried out. In view of the large size and weight of the magnet, a seal off approach might not be operationally feasible. Continuous pumping of the cryostat has also been examined. Pump has been kept at a distance from the magnet considering the effect of stray magnetic fields. Oil free turbo molecular pump and scroll pump combination will be used to pump down the cryostat. The ultimate heat load of the cryostat will be highly dependent on the pressure attained. Radiation and conduction plays an important role in the heat transfer at low temperatures. This paper presents the vacuum design of the long quadrupole magnet cryostat and estimates the heat load of the cryostat.

The development of magnetic field measurement system for drift-tube linac quadrupole

NASA Astrophysics Data System (ADS)

Zhou, Jianxin; Kang, Wen; Yin, Baogui; Peng, Quanling; Li, Li; Liu, Huachang; Gong, Keyun; Li, Bo; Chen, Qiang; Li, Shuai; Liu, Yiqin

2015-06-01

In the China Spallation Neutron Source (CSNS) linac, a conventional 324 MHz drift-tube linac (DTL) accelerating an H- ion beam from 3 MeV to 80 MeV has been designed and manufactured. The electromagnetic quadrupoles (EMQs) are widely used in a DTL accelerator. The main challenge of DTLQ's structure is to house a strong gradient EMQ in the much reduced space of the drift-tube (DT). To verify the DTLQ's design specifications and fabrication quality, a precision harmonic coil measurement system has been developed, which is based on the high precision movement platform, the harmonic coil with ceramic frame and the special method to make the harmonic coil and the quadrupoles coaxial. After more than one year's continuous running, the magnetic field measurement system still performs accurately and stably. The field measurement of more than one hundred DTLQ has been finished. The components and function of the measurement system, the key point of the technology and the repeatability of the measurement results are described in this paper.

Beam acceleration through proton radio frequency quadrupole accelerator in BARC

NASA Astrophysics Data System (ADS)

Bhagwat, P. V.; Krishnagopal, S.; Mathew, J. V.; Singh, S. K.; Jain, P.; Rao, S. V. L. S.; Pande, M.; Kumar, R.; Roychowdhury, P.; Kelwani, H.; Rama Rao, B. V.; Gupta, S. K.; Agarwal, A.; Kukreti, B. M.; Singh, P.

2016-05-01

A 3 MeV proton Radio Frequency Quadrupole (RFQ) accelerator has been designed at the Bhabha Atomic Research Centre, Mumbai, India, for the Low Energy High Intensity Proton Accelerator (LEHIPA) programme. The 352 MHz RFQ is built in 4 segments and in the first phase two segments of the LEHIPA RFQ were commissioned, accelerating a 50 keV, 1 mA pulsed proton beam from the ion source, to an energy of 1.24 MeV. The successful operation of the RFQ gave confidence in the physics understanding and technology development that have been achieved, and indicate that the road forward can now be traversed rather more quickly.

Multiple beam induction accelerators for heavy ion fusion

NASA Astrophysics Data System (ADS)

Seidl, Peter A.; Barnard, John J.; Faltens, Andris; Friedman, Alex; Waldron, William L.

2014-01-01

Induction accelerators are appealing for heavy-ion driven inertial fusion energy (HIF) because of their high efficiency and their demonstrated capability to accelerate high beam current (≥10 kA in some applications). For the HIF application, accomplishments and challenges are summarized. HIF research and development has demonstrated the production of single ion beams with the required emittance, current, and energy suitable for injection into an induction linear accelerator. Driver scale beams have been transported in quadrupole channels of the order of 10% of the number of quadrupoles of a driver. We review the design and operation of induction accelerators and the relevant aspects of their use as drivers for HIF. We describe intermediate research steps that would provide the basis for a heavy-ion research facility capable of heating matter to fusion relevant temperatures and densities, and also to test and demonstrate an accelerator architecture that scales well to a fusion power plant.

Nuclear quadrupole resonance studies in semi-metallic structures

NASA Technical Reports Server (NTRS)

Murty, A. N.

1974-01-01

Both experimental and theoretical studies are presented on spectrum analysis of nuclear quadrupole resonance of antimony and arsenic tellurides. Numerical solutions for secular equations of the quadrupole interaction energy are also discussed.

Modified ion source triple quadrupole mass spectrometer gas chromatograph for polycyclic aromatic hydrocarbon analyses

PubMed Central

Anderson, Kim A.; Szelewski, Michael J.; Wilson, Glenn; Quimby, Bruce D.; Hoffman, Peter D.

2015-01-01

We describe modified gas chromatography electron-impact/triple-quadrupole mass spectrometry (GC–EI/MS/MS) utilizing a newly developed hydrogen-injected self-cleaning ion source and modified 9 mm extractor lens. This instrument, with optimized parameters, achieves quantitative separation of 62 polycyclic aromatic hydrocarbons (PAHs). Existing methods historically limited rigorous identification and quantification to a small subset, such as the 16 PAHs the US EPA has defined as priority pollutants. Without the critical source and extractor lens modifications, the off-the-shelf GC–EI/MS/MS system was unsuitable for complex PAH analysis. Separations were enhanced by increased gas flow, a complex GC temperature profile incorporating multiple isothermal periods, specific ramp rates, and a PAH-optimized column. Typical determinations with our refined GC–EI/MS/MS have a large linear range of 1–10,000 pg μl−1 and detection limits of <2 pg μl−1. Included in the 62 PAHs, multiple-reaction-monitoring (MRM) mode enabled GC-EI/MS/MS identification and quantitation of several constituents of the MW 302 PAHs isomers. Using calibration standards, values determined were within 5% of true values over many months. Standard curve r2 values were typically >0.998, exceptional for compounds which are archetypally difficult. With this method benzo[a]fluorene, benzo[b]fluorene, benzo[c]fluorene were fully separated as was benzo[b]fluoranthene, benzo[k]fluoranthene, and benzo[j]fluoranthene. Chrysene and triphenylene, were sufficiently separated to allow accurate quantitation. Mean limits of detection (LODs) across all PAHs were 1.02 ± 0.84 pg μl−1 with indeno[1,2,3-c,d] pyrene having the lowest LOD at 0.26 pg μl−1 and only two analytes above 2.0 pg μl−1; acenaphthalene (2.33 pg μl−1) and dibenzo[a,e]pyrene (6.44 pg μl−1). PMID:26454790

Development of C⁶⁺ laser ion source and RFQ linac for carbon ion radiotherapy.

PubMed

Sako, T; Yamaguchi, A; Sato, K; Goto, A; Iwai, T; Nayuki, T; Nemoto, K; Kayama, T; Takeuchi, T

2016-02-01

A prototype C(6+) injector using a laser ion source has been developed for a compact synchrotron dedicated to carbon ion radiotherapy. The injector consists of a laser ion source and a 4-vane radio-frequency quadrupole (RFQ) linac. Ion beams are extracted from plasma and directly injected into the RFQ. A solenoid guides the low-energy beams into the RFQ. The RFQ is designed to accelerate high-intensity pulsed beams. A structure of monolithic vanes and cavities is adopted to reduce its power consumption. In beam acceleration tests, a solenoidal magnetic field set between the laser ion source and the RFQ helped increase both the peak currents before and after the RFQ by a factor of 4.

Ion trap simulation program, ITSIM: A powerful heuristic and predictive tool in ion trap mass spectrometry

NASA Astrophysics Data System (ADS)

Bui, Huy Anh

The multi-particle simulation program, ITSIM version 4.0, takes advantage of the enhanced performance of the Windows 95 and NT operating systems in areas such as memory management, user friendliness, flexibility of graphics and speed, to investigate the motion of ions in the quadrupole ion trap. The objective of this program is to use computer simulations based on mathematical models to improve the performance of the ion trap mass spectrometer. The simulation program can provide assistance in understanding fundamental aspects of ion trap mass spectrometry, precede and help to direct the course of experiments, as well as having didactic value in elucidating and allowing visualization of ion behavior under different experimental conditions. The program uses the improved Euler method to calculate ion trajectories as numerical solutions to the Mathieu differential equation. This Windows version can simultaneously simulate the trajectories of ions with a virtually unlimited number of different mass-to-charge ratios and hence allows realistic mass spectra, ion kinetic energy distributions and other experimentally measurable properties to be simulated. The large number of simulated ions allows examination of (i) the offsetting effects of mutual ion repulsion and collisional cooling in an ion trap and (ii) the effects of higher order fields. Field inhomogeneities arising from exit holes, electrode misalignment, imperfect electrode surfaces or new trap geometries can be simulated with the program. The simulated data are used to obtain mass spectra from mass-selective instability scans as well as by Fourier transformation of image currents induced by coherently moving ion clouds. Complete instruments, from an ion source through the ion trap mass analyzer to a detector, can now be simulated. Applications of the simulation program are presented and discussed. Comparisons are made between the simulations and experimental data. Fourier transformed experiments and a novel six

Forbidden transition probabilities for ground terms of ions with p or p5 configurations. [for solar atmosphere

NASA Technical Reports Server (NTRS)

Kastner, S. O.

1976-01-01

Forbidden transition probabilities are given for ground term transitions of ions in the isoelectronic sequences with outer configurations 2s2 2p (B I), 2p5 (F I), 3s2 3p (Al I), and 3p5 (Cl I). Tables give, for each ion, the ground term interval, the associated wavelength, the quadrupole radial integral, the electric quadrupole transition probability, and the magnetic dipole transition probability. Coronal lines due to some of these ions have been observed, while others are yet to be observed. The tales for the Al I and Cl I sequences include elements up to germanium.

Assessment of the ion-trap mass spectrometer for routine qualitative and quantitative analysis of drugs of abuse extracted from urine.

PubMed

Vorce, S P; Sklerov, J H; Kalasinsky, K S

2000-10-01

The ion-trap mass spectrometer (MS) has been available as a detector for gas chromatography (GC) for nearly two decades. However, it still occupies a minor role in forensic toxicology drug-testing laboratories. Quadrupole MS instruments make up the majority of GC detectors used in drug confirmation. This work addresses the use of these two MS detectors, comparing the ion ratio precision and quantitative accuracy for the analysis of different classes of abused drugs extracted from urine. Urine specimens were prepared at five concentrations each for amphetamine (AMP), methamphetamine (METH), benzoylecgonine (BZE), delta9-carboxy-tetrahydrocannabinol (delta9-THCCOOH), phencyclidine (PCP), morphine (MOR), codeine (COD), and 6-acetylmorphine (6-AM). Concentration ranges for AMP, METH, BZE, delta9-THCCOOH, PCP, MOR, COD, and 6-AM were 50-2500, 50-5000, 15-800, 1.5-65, 1-250, 500-32000, 250-21000, and 1.5-118 ng/mL, respectively. Sample extracts were injected into a GC-quadrupole MS operating in selected ion monitoring (SIM) mode and a GC-ion-trap MS operating in either selected ion storage (SIS) or full scan (FS) mode. Precision was assessed by the evaluation of five ion ratios for n = 15 injections at each concentration using a single-point calibration. Precision measurements for SIM ion ratios provided coefficients of variation (CV) between 2.6 and 9.8% for all drugs. By comparison, the SIS and FS data yielded CV ranges of 4.0-12.8% and 4.0-11.2%, respectively. The total ion ratio failure rates were 0.2% (SIM), 0.7% (SIS), and 1.2% (FS) for the eight drugs analyzed. Overall, the SIS mode produced stable, comparable mean ratios over the concentration ranges examined, but had greater variance within batch runs. Examination of postmortem and quality-control samples produced forensically accurate quantitation by SIS when compared to SIM. Furthermore, sensitivity of FS was equivalent to SIM for all compounds examined except for 6-AM.

Manipulating Adsorption-Insertion Mechanisms in Nanostructured Carbon Materials for High-Efficiency Sodium Ion Storage

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

Qiu, Shen; Xiao, Lifen; Sushko, Maria L.

Hard carbon is one of the most promising anode materials for sodium-ion batteries, but the low coulombic efficiency is still a key barrier. In this paper we synthesized a series of nanostructured hard carbon materials with controlled architectures. Using a combination of in-situ XRD mapping, ex-situ NMR, EPR, electrochemical techniques and simulations, an “adsorption-intercalation” (A-I) mechanism is established for Na ion storage. During the initial stages of Na insertion, Na ions adsorb on the defect sites of hard carbon with a wide adsorption energy distribution, producing a sloping voltage profile. In the second stage, Na ions intercalate into graphitic layersmore » with suitable spacing to form NaCx compounds similar to the Li ion intercalation process in graphite, producing a flat low voltage plateau. The cation intercalation with a flat voltage plateau should be enhanced and the sloping region should be avoided. Guided by this knowledge, non-porous hard carbon material has been developed which has achieved high reversible capacity and coulombic efficiency to fulfill practical application.« less

Tuning the Solid Electrolyte Interphase for Selective Li- and Na-Ion Storage in Hard Carbon

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

Soto, Fernando A.; Yan, Pengfei; Engelhard, Mark H.

Solid-electrolyte interphase (SEI) with controllable properties are highly desirable to improve battery performance. In this paper, we use a combined experimental and simulation approach to study the SEI formation on hard carbon in Li and Na-ion batteries. We show that with proper additives, stable SEI can be formed on hard carbon by pre-cycling the electrode materials in Li or Na-ion electrolyte. Detailed mechanistic studies suggest that the ion transport in the SEI layer is kinetically controlled and can be tuned by the applied voltage. Selective Na and Li-ion SEI membranes are produced using the Na or Li-ion based electrolytes respectively.more » The large Na ion SEI allows easy transport of Li ions, while the small Li ion SEI shuts off the Na-ion transport. Na-ion storage can be manipulated by tuning the SEI with film-forming electrolyte additives or preforming a SEI on the electrodes’ surface. The Na specific capacity can be controlled to <25 mAh/g, ~1/10 of the normal capacity (250 mAh/g). Unusual selective/preferential transport of Li-ion is demonstrated by preforming a SEI on the electrode’s surface and corroborated with a mixed electrolyte. This work may provide new guidance for preparing good ion selective conductors using electrochemical approaches in the future.« less

Selective Isobar Suppression for Accelerator Mass Spectrometry and Radioactive Ion Beam Science

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

Galindo-Uribarri, Alfredo; Havener, Charles C; Lewis, Thomas L.

2010-01-01

Several applications of AMS will benefit from pushing further the detection limits of AMS isotopes. A new method of selective isobar suppression by photodetachment in a radio-frequency quadrupole ion cooler is being developed at HRIBF with a two-fold purpose: (1) increasing the AMS sensitivity for certain isotopes of interest and (2) purifying radioactive ion beams for nuclear science. The potential of suppressing the 36S contaminants in a 36Cl beam using this method has been explored with stable S- and Cl- ions and a Nd:YLF laser. In the study, the laser beam was directed along the experiment's beam line and throughmore » a RF quadrupole ion cooler. Negative 32S and 35Cl ions produced by a Cs sputter ion source were focused into the ion cooler where they were slowed by collisions with He buffer gas; this increased the interaction time between the negative ion beam and the laser beam. As a result, suppression of S- by a factor of 3000 was obtained with about 2.5 W average laser power in the cooler while no reduction in Cl- current was observed.« less

NMR Study of Ion Dynamics and Charge Storage in Ionic Liquid Supercapacitors

PubMed Central

2015-01-01

Ionic liquids are emerging as promising new electrolytes for supercapacitors. While their higher operating voltages allow the storage of more energy than organic electrolytes, they cannot currently compete in terms of power performance. More fundamental studies of the mechanism and dynamics of charge storage are required to facilitate the development and application of these materials. Here we demonstrate the application of nuclear magnetic resonance spectroscopy to study the structure and dynamics of ionic liquids confined in porous carbon electrodes. The measurements reveal that ionic liquids spontaneously wet the carbon micropores in the absence of any applied potential and that on application of a potential supercapacitor charging takes place by adsorption of counterions and desorption of co-ions from the pores. We find that adsorption and desorption of anions surprisingly plays a more dominant role than that of the cations. Having elucidated the charging mechanism, we go on to study the factors that affect the rate of ionic diffusion in the carbon micropores in an effort to understand supercapacitor charging dynamics. We show that the line shape of the resonance arising from adsorbed ions is a sensitive probe of their effective diffusion rate, which is found to depend on the ionic liquid studied, as well as the presence of any solvent additives. Taken as whole, our NMR measurements allow us to rationalize the power performances of different electrolytes in supercapacitors. PMID:25973552

High-Crystallinity Urchin-like VS4 Anode for High-Performance Lithium-Ion Storage.

PubMed

Yang, Guang; Zhang, Bowei; Feng, Jianyong; Wang, Huanhuan; Ma, Mingbo; Huang, Kang; Liu, Jilei; Madhavi, Srinivasan; Shen, Zexiang; Huang, Yizhong

2018-05-02

VS 4 anode materials with controllable morphologies from hierarchical microflower, octopus-like structure, seagrass-like structure to urchin-like structure have been successfully synthesized by a facile solvothermal synthesis approach using different alcohols as solvents. Their structures and electrochemical properties with various morphologies are systematically investigated, and the structure-property relationship is established. Experimental results reveal that Li + ion storage behavior in VS 4 significantly depends on physical features such as the morphology, crystallite size, and specific surface area. According to this study, electrochemical performance degrades on the order of urchin-like VS 4 > octopus-like VS 4 > seagrass-like VS 4 > flower-like VS 4 . Among them, urchin-like VS 4 demonstrates the best electrochemical performance benefiting from its peculiar structure which possesses large surface area that accommodates the volume change to a certain extent, and single-crystal thorns that provide fast electron transportation. Kinetic parameters derived from EIS spectra and sweep-rate-dependent CV curves, such as charge-transfer resistances, Li + ion apparent diffusion coefficients and stored charge ratio of capacitive and intercalation contributions, both support this claim well. In addition, the EIS measurement was conducted during the first discharge/charge process to study the solid electrolyte interface (SEI) formation on urchin-like VS 4 and kinetics behavior of Li + ion diffusion. A better fundamental understanding on Li + storage behavior in VS 4 is promoted, which is applicable to other vanadium-based materials as well. This study also provides invaluable guidance for morphology-controlled synthesis tailored for optimal electrochemical performance.

Materials Challenges and Opportunities of Lithium-ion Batteries for Electrical Energy Storage

NASA Astrophysics Data System (ADS)

Manthiram, Arumugam

2011-03-01

Electrical energy storage has emerged as a topic of national and global importance with respect to establishing a cleaner environment and reducing the dependence on foreign oil. Batteries are the prime candidates for electrical energy storage. They are the most viable near-term option for vehicle applications and the efficient utilization of intermittent energy sources like solar and wind. Lithium-ion batteries are attractive for these applications as they offer much higher energy density than other rechargeable battery systems. However, the adoption of lithium-ion battery technology for vehicle and stationary storage applications is hampered by high cost, safety concerns, and limitations in energy, power, and cycle life, which are in turn linked to severe materials challenges. This presentation, after providing an overview of the current status, will focus on the physics and chemistry of new materials that can address these challenges. Specifically, it will focus on the design and development of (i) high-capacity, high-voltage layered oxide cathodes, (ii) high-voltage, high-power spinel oxide cathodes, (iii) high-capacity silicate cathodes, and (iv) nano-engineered, high-capacity alloy anodes. With high-voltage cathodes, a critical issue is the instability of the electrolyte in contact with the highly oxidized cathode surface and the formation of solid-electrolyte interfacial (SEI) layers that degrade the performance. Accordingly, surface modification of cathodes with nanostructured materials and self-surface segregation during the synthesis process to suppress SEI layer formation and enhance the energy, power, and cycle life will be emphasized. With the high-capacity alloy anodes, a critical issue is the huge volume change occurring during the charge-discharge process and the consequent poor cycle life. Dispersion of the active alloy nanoparticles in an inactive metal oxide-carbon matrix to mitigate this problem and realize long cycle life will be presented.

Variable Permanent Magnet Quadrupole

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

Mihara, T.; Iwashita, Y.; /Kyoto U.

A permanent magnet quadrupole (PMQ) is one of the candidates for the final focus lens in a linear collider. An over 120 T/m strong variable permanent magnet quadrupole is achieved by the introduction of saturated iron and a 'double ring structure'. A fabricated PMQ achieved 24 T integrated gradient with 20 mm bore diameter, 100 mm magnet diameter and 20 cm pole length. The strength of the PMQ is adjustable in 1.4 T steps, due to its 'double ring structure': the PMQ is split into two nested rings; the outer ring is sliced along the beam line into four partsmore » and is rotated to change the strength. This paper describes the variable PMQ from fabrication to recent adjustments.« less

Facile Generation and Storage of Polycyclic Aromatic Hydrocarbon Ions in Astrophysical Ices

NASA Technical Reports Server (NTRS)

Gudipati, Murthy S.; Allamandola, Louis J.

2003-01-01

In situ ultraviolet-visible absorption and emission studies of vacuum ultraviolet (VUV) irradiated water-rich, cosmic ice analogs containing polycyclic aromatic hydrocarbons (PAHs) are described. W V irradiation of 12 K water ices containing the PAHs naphthalene (H2O/C10H8 = 200) and 4-methylpyrene (H2O/C17H12 > 500) readily converts the PAHs into their cation form (PAH(+)). Under these conditions, PAH photoionization is the predominant reaction. These ions are trapped and stored in the ices at temperatures between 10 and 50 K, a temperature domain common to ices throughout interstellar clouds and the solar system. Unlike the approx.15% ionization typical after W V irradiation of PAHs isolated in rare-gas matrices, in water ice, PAH photoionization and storage proceed efficiently and almost quantitatively with a greater than 70% ionization yield. As the temperature is increased from 50 to 150 K, the PAH ion bands slowly diminish as the PAH ions ultimately react to form more complex organic species involving the water host. The chemical, spectroscopic, and physical properties of these ion-rich ices can be important in icy objects such as molecular clouds, comets, and planets. Several astrophysical applications are presented.

Laser ion source with solenoid field

NASA Astrophysics Data System (ADS)

Kanesue, Takeshi; Fuwa, Yasuhiro; Kondo, Kotaro; Okamura, Masahiro

2014-11-01

Pulse length extension of highly charged ion beam generated from a laser ion source is experimentally demonstrated. The laser ion source (LIS) has been recognized as one of the most powerful heavy ion source. However, it was difficult to provide long pulse beams. By applying a solenoid field (90 mT, 1 m) at plasma drifting section, a pulse length of carbon ion beam reached 3.2 μs which was 4.4 times longer than the width from a conventional LIS. The particle number of carbon ions accelerated by a radio frequency quadrupole linear accelerator was 1.2 × 1011, which was provided by a single 1 J Nd-YAG laser shot. A laser ion source with solenoid field could be used in a next generation heavy ion accelerator.

CsI-Silicon Particle detector for Heavy ions Orbiting in Storage rings (CsISiPHOS)

NASA Astrophysics Data System (ADS)

Najafi, M. A.; Dillmann, I.; Bosch, F.; Faestermann, T.; Gao, B.; Gernhäuser, R.; Kozhuharov, C.; Litvinov, S. A.; Litvinov, Yu. A.; Maier, L.; Nolden, F.; Popp, U.; Sanjari, M. S.; Spillmann, U.; Steck, M.; Stöhlker, T.; Weick, H.

2016-11-01

A heavy-ion detector was developed for decay studies in the Experimental Storage Ring (ESR) at the GSI Helmholtz Centre for Heavy Ion Research in Darmstadt, Germany. This detector serves as a prototype for the in-pocket particle detectors for future experiments with the Collector Ring (CR) at FAIR (Facility for Antiproton and Ion Research). The detector includes a stack of six silicon pad sensors, a double-sided silicon strip detector (DSSD), and a CsI(Tl) scintillation detector. It was used successfully in a recent experiment for the detection of the β+-decay of highly charged 142Pm60+ ions. Based on the ΔE / E technique for particle identification and an energy resolution of 0.9% for ΔE and 0.5% for E (Full Width at Half Maximum (FWHM)), the detector is well-suited to distinguish neighbouring isobars in the region of interest.

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.

Understanding the Size-Dependent Sodium Storage Properties of Na2C6O6-Based Organic Electrodes for Sodium-Ion Batteries.

PubMed

Wang, Yaqun; Ding, Yu; Pan, Lijia; Shi, Ye; Yue, Zhuanghao; Shi, Yi; Yu, Guihua

2016-05-11

Organic electroactive materials represent a new generation of sustainable energy storage technology due to their unique features including environmental benignity, material sustainability, and highly tailorable properties. Here a carbonyl-based organic salt Na2C6O6, sodium rhodizonate (SR) dibasic, is systematically investigated for high-performance sodium-ion batteries. A combination of structural control, electrochemical analysis, and computational simulation show that rational morphological control can lead to significantly improved sodium storage performance. A facile antisolvent method was developed to synthesize microbulk, microrod, and nanorod structured SRs, which exhibit strong size-dependent sodium ion storage properties. The SR nanorod exhibited the best performance to deliver a reversible capacity of ∼190 mA h g(-1) at 0.1 C with over 90% retention after 100 cycles. At a high rate of 10 C, 50% of the capacity can be obtained due to enhanced reaction kinetics, and such high electrochemical activity maintains even at 80 °C. These results demonstrate a generic design route toward high-performance organic-based electrode materials for beyond Li-ion batteries. Using such a biomass-derived organic electrode material enables access to sustainable energy storage devices with low cost, high electrochemical performance and thermal stability.

Stability of an aqueous quadrupole micro-trap

DOE PAGES

Park, Jae Hyun; Krstić, Predrag S.

2012-03-30

Recently demonstrated functionality of an aqueous quadrupole micro- or nano-trap opens a new avenue for applications of the Paul traps, like is confinement of a charged biomolecule which requires water environment for its chemical stability. Besides strong viscosity forces, motion of a charged particle in the aqueous trap is subject to dielectrophoretic and electrophoretic forces. In this study, we describe the general conditions for stability of a charged particle in an aqueous quadrupole trap. We find that for the typical micro-trap parameters, effects of both dielectrophoresis and electrophoresis significantly influence the trap stability. In particular, the aqueous quadrupole trap couldmore » play of a role of a synthetic virtual nanopore for the 3rd generation of DNA sequencing technology.« less

Integrating Desalination and Energy Storage using a Saltwater-based Hybrid Sodium-ion Supercapacitor.

PubMed

Guo, Zhaowei; Ma, Yuanyuan; Dong, Xiaoli; Hou, Mengyan; Wang, Yonggang; Xia, Yongyao

2018-06-11

Ever-increasing freshwater scarcity and energy crisis problems require efficient seawater desalination and energy storage technologies; however, each target is generally considered separately. Herein, a hybrid sodium-ion supercapacitor, involving a carbon-coated nano-NaTi 2 (PO 4 ) 3 -based battery anode and an activated-carbon-based capacitive cathode, is developed to combine desalination and energy storage in one device. On charge, the supercapacitor removes salt in a flowing saltwater electrolyte through Cl - electrochemical adsorption at the cathode and Na + intercalation at the anode. Discharge delivers useful electric energy and regenerates the electrodes. This supercapacitor can be used not only for energy storage with promising electrochemical performance (i.e., high power, high efficiency, and long cycle life), but also as a desalination device with desalination capacity of 146.8 mg g -1 , much higher than most reported capacitive and battery desalination devices. Finally, we demonstrate renewables to usable electric energy and desalted water through combining commercial photovoltaics and this hybrid supercapacitor. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fast neutral beam ion source coupled to a Fourier transform ion cyclotron resonance mass spectrometer

NASA Astrophysics Data System (ADS)

Hill, Nicholas C.; Limbach, Patrick A.; Shomo, Ronald E., II; Marshall, Alan G.; Appelhans, Anthony D.; Delmore, James E.

1991-11-01

The coupling of an autoneutralizing SF-6 fast ion-beam gun to a Fourier transform ion cyclotron resonance (FT/ICR) mass spectrometer is described. The fast neutral beam provides for secondary-ion-type FT/ICR mass analysis [e.g., production of abundant pseudomolecular (M+H)+ ions] of involatile samples without the need for external ion injection, since ions are formed at the entrance to the ICR ion trap. The design, construction, and testing of the hybrid instrument are described. The feasibility of the experiment (for both broadband and high-resolution FT/ICR positive-ion mass spectra) is demonstrated with tetra-butylammonium bromide and a Tylenol■ sample. The ability to analyze high molecular weight polymers with high mass resolution is demonstrated for Teflon■. All of the advantages of the fast neutral beam ion source previously demonstrated with quadrupole mass analysis are preserved, and the additional advantages of FT/ICR mass analysis (e.g., high mass resolving power, ion trapping) are retained.

Microfluidic quadrupole and floating concentration gradient.

PubMed

Qasaimeh, Mohammad A; Gervais, Thomas; Juncker, David

2011-09-06

The concept of fluidic multipoles, in analogy to electrostatics, has long been known as a particular class of solutions of the Navier-Stokes equation in potential flows; however, experimental observations of fluidic multipoles and of their characteristics have not been reported yet. Here we present a two-dimensional microfluidic quadrupole and a theoretical analysis consistent with the experimental observations. The microfluidic quadrupole was formed by simultaneously injecting and aspirating fluids from two pairs of opposing apertures in a narrow gap formed between a microfluidic probe and a substrate. A stagnation point was formed at the centre of the microfluidic quadrupole, and its position could be rapidly adjusted hydrodynamically. Following the injection of a solute through one of the poles, a stationary, tunable, and movable-that is, 'floating'-concentration gradient was formed at the stagnation point. Our results lay the foundation for future combined experimental and theoretical exploration of microfluidic planar multipoles including convective-diffusive phenomena.

Characterization of Compounds in Psoralea corylifolia Using High-Performance Liquid Chromatography Diode Array Detection, Time-of-Flight Mass Spectrometry and Quadrupole Ion Trap Mass Spectrometry.

PubMed

Tan, Guangguo; Yang, Tiehong; Miao, Huayan; Chen, Hao; Chai, Yifeng; Wu, Hong

2015-10-01

High-performance liquid chromatography with diode array detection (HPLC-DAD), time-of-flight mass spectrometry (HPLC-TOFMS) and quadrupole ion trap mass spectrometry (HPLC-QITMS) were used for separation and identification of multi-components in Psoralea corylifolia. Benefiting from combining the accurate mass measurement of HPLC-TOFMS to generate elemental compositions, the complementary multilevel structural information provided by HPLC-QITMS and the characteristic UV spectra obtained from HPLC-DAD, 24 components in P. corylifolia were identified. The five groups of isomers were differentiated based on the fragmentation behaviors in QITMS and UV spectra. It can be concluded that an effective method based on the combination of HPLC-DAD, HPLC-TOFMS and HPLC-QITMS for identification of chemical components in P. corylifolia was established. The results provide essential data for further pharmacological and clinical studies of P. corylifolia and facilitate the rapid quality control of the crude drug. © Crown copyright 2015.

Measuring the Magnetic Center Behavior of an ILC Superconducting Quadrupole Prototype

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

Spencer, Cherrill M.; Adolphsen, Chris; Berndt, Martin

2011-02-07

The main linacs of the proposed International Linear Collider (ILC) consist of superconducting cavities operated at 2K. The accelerating cavities are contained in a contiguous series of cryogenic modules that also house the main linac quadrupoles, thus the quadrupoles also need to be superconducting. In an early ILC design, these magnets are about 0.6 m long, have cos (2{theta}) coils, and operate at constant field gradients up to 60 T/m. In order to preserve the small beam emittances in the ILC linacs, the e+ and e- beams need to traverse the quadrupoles near their magnetic centers. A quadrupole shunting techniquemore » is used to measure the quadrupole alignment with the beams; this process requires the magnetic centers move by no more than about 5 micrometers when their strength is changed. To determine if such tight stability is achievable in a superconducting quadrupole, we at SLAC measured the magnetic center motions in a prototype ILC quadrupole built at CIEMAT in Spain. A rotating coil technique was used with a better than 0.1 micrometer precision in the relative field center position, and less than a 2 micrometer systematic error over 30 minutes. This paper describes the warm-bore cryomodule that houses the quadrupole in its Helium vessel, the magnetic center measurement system, the measured center data and strength and harmonics magnetic data.« less

Screening and identification of glyceollins and their metabolites by electrospray ionization tandem mass spectrometry with precursor ion scanning

USDA-ARS?s Scientific Manuscript database

A method has been developed for screening glyceollins and their metabolites based upon precursor ion scanning. Under higher-energy collision conditions, employing a triple quadrupole mass spectrometer in the negative ion mode, deprotonated glyceollin precursors yield a diagnostic radical product ion...

Na2Ti6O13: a potential anode for grid-storage sodium-ion batteries.

PubMed

Rudola, Ashish; Saravanan, Kuppan; Devaraj, Sappani; Gong, Hao; Balaya, Palani

2013-08-28

The ultra-fast (30C or 2 min) rate capability and impressive long cycle life (>5000 cycles) of Na2Ti6O13 are reported. A stable 2.5 V sodium-ion battery full cell is demonstrated. In addition, the sodium storage mechanism and thermal stability of Na2Ti6O13 are discussed.

Laser ion source with solenoid field

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

Kanesue, Takeshi, E-mail: tkanesue@bnl.gov; Okamura, Masahiro; Fuwa, Yasuhiro

2014-11-10

Pulse length extension of highly charged ion beam generated from a laser ion source is experimentally demonstrated. The laser ion source (LIS) has been recognized as one of the most powerful heavy ion source. However, it was difficult to provide long pulse beams. By applying a solenoid field (90 mT, 1 m) at plasma drifting section, a pulse length of carbon ion beam reached 3.2 μs which was 4.4 times longer than the width from a conventional LIS. The particle number of carbon ions accelerated by a radio frequency quadrupole linear accelerator was 1.2 × 10{sup 11}, which was provided by a single 1 J Nd-YAGmore » laser shot. A laser ion source with solenoid field could be used in a next generation heavy ion accelerator.« less

Laser ion source with solenoid field

DOE PAGES

Kanesue, Takeshi; Fuwa, Yasuhiro; Kondo, Kotaro; ...

2014-11-12

Pulse length extension of highly charged ion beam generated from a laser ion source is experimentally demonstrated. In this study, the laser ion source (LIS) has been recognized as one of the most powerful heavy ion source. However, it was difficult to provide long pulse beams. By applying a solenoid field (90 mT, 1 m) at plasma drifting section, a pulse length of carbon ion beam reached 3.2 μs which was 4.4 times longer than the width from a conventional LIS. The particle number of carbon ions accelerated by a radio frequency quadrupole linear accelerator was 1.2 × 10 11,more » which was provided by a single 1 J Nd-YAG laser shot. A laser ion source with solenoid field could be used in a next generation heavy ion accelerator.« less

Cooperative Management of a Lithium-Ion Battery Energy Storage Network: A Distributed MPC Approach

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

Fang, Huazhen; Wu, Di; Yang, Tao

2016-12-12

This paper presents a study of cooperative power supply and storage for a network of Lithium-ion energy storage systems (LiBESSs). We propose to develop a distributed model predictive control (MPC) approach for two reasons. First, able to account for the practical constraints of a LiBESS, the MPC can enable a constraint-aware operation. Second, a distributed management can cope with a complex network that integrates a large number of LiBESSs over a complex communication topology. With this motivation, we then build a fully distributed MPC algorithm from an optimization perspective, which is based on an extension of the alternating direction methodmore » of multipliers (ADMM) method. A simulation example is provided to demonstrate the effectiveness of the proposed algorithm.« less

Nanoscale Engineering of Heterostructured Anode Materials for Boosting Lithium-Ion Storage.

PubMed

Chen, Gen; Yan, Litao; Luo, Hongmei; Guo, Shaojun

2016-09-01

Rechargeable lithium-ion batteries (LIBs), as one of the most important electrochemical energy-storage devices, currently provide the dominant power source for a range of devices, including portable electronic devices and electric vehicles, due to their high energy and power densities. The interest in exploring new electrode materials for LIBs has been drastically increasing due to the surging demands for clean energy. However, the challenging issues essential to the development of electrode materials are their low lithium capacity, poor rate ability, and low cycling stability, which strongly limit their practical applications. Recent remarkable advances in material science and nanotechnology enable rational design of heterostructured nanomaterials with optimized composition and fine nanostructure, providing new opportunities for enhancing electrochemical performance. Here, the progress as to how to design new types of heterostructured anode materials for enhancing LIBs is reviewed, in the terms of capacity, rate ability, and cycling stability: i) carbon-nanomaterials-supported heterostructured anode materials; ii) conducting-polymer-coated electrode materials; iii) inorganic transition-metal compounds with core@shell structures; and iv) combined strategies to novel heterostructures. By applying different strategies, nanoscale heterostructured anode materials with reduced size, large surfaces area, enhanced electronic conductivity, structural stability, and fast electron and ion transport, are explored for boosting LIBs in terms of high capacity, long cycling lifespan, and high rate durability. Finally, the challenges and perspectives of future materials design for high-performance LIB anodes are considered. The strategies discussed here not only provide promising electrode materials for energy storage, but also offer opportunities in being extended for making a variety of novel heterostructured nanomaterials for practical renewable energy applications. © 2016

Spontaneous structural distortion of the metallic Shastry-Sutherland system Dy B4 by quadrupole-spin-lattice coupling

NASA Astrophysics Data System (ADS)

Sim, Hasung; Lee, Seongsu; Hong, Kun-Pyo; Jeong, Jaehong; Zhang, J. R.; Kamiyama, T.; Adroja, D. T.; Murray, C. A.; Thompson, S. P.; Iga, F.; Ji, S.; Khomskii, D.; Park, Je-Geun

2016-11-01

Dy B4 has a two-dimensional Shastry-Sutherland (Sh-S) lattice with strong Ising character of the Dy ions. Despite the intrinsic frustrations, it undergoes two successive transitions: a magnetic ordering at TN=20 K and a quadrupole ordering at TQ=12.5 K . From high-resolution neutron and synchrotron x-ray powder diffraction studies, we have obtained full structural information on this material in all phases and demonstrate that structural modifications occurring at quadrupolar transition lead to the lifting of frustrations inherent in the Sh-S model. Our paper thus provides a complete experimental picture of how the intrinsic frustration of the Sh-S lattice can be lifted by the coupling to quadrupole moments. We show that two other factors, i.e., strong spin-orbit coupling and long-range Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction in metallic Dy B4 , play an important role in this behavior.

Ion-conduction mechanisms in NaSICON-type membranes for energy storage and utilization

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

McDaniel, Anthony H.; Ihlefeld, Jon F.; Bartelt, Norman Charles

2015-10-01

Next generation metal-ion conducting membranes are key to developing energy storage and utilization technologies like batteries and fuel ce lls. Sodium super-ionic conductors (aka NaSICON) are a class of compounds with AM 1 M 2 (PO 4 ) 3 stoichiometry where the choice of "A" and "M" cation varies widely. This report, which de scribes substitutional derivatives of NZP (NaZr 2 P 3 O 12 ), summarizes the accomplishments of a Laboratory D irected Research and Development (LDRD) project to analyze transport mec hanisms using a combination of in situ studies of structure, composition, and bonding, com bined with firstmore » principles theory and modeling. We developed an experimental platform and applied methods, such as synchrotron- based X-ray spectroscopies, to probe the electronic structure of compositionally well-controlled NaSICON films while in operation ( i.e ., conducting Na ions exposed to oxygen or water va por atmospheres). First principles theory and modeling were used to interpret the experimental observations and develop an enhanced understanding of atomistic processes that give rise to, and affect, ion conduction.« less

The argon nuclear quadrupole moments

NASA Astrophysics Data System (ADS)

Sundholm, Dage; Pyykkö, Pekka

2018-07-01

New standard values -116(2) mb and 76(3) mb are suggested for the nuclear quadrupole moments (Q) of the 39Ar and 37Ar nuclei, respectively. The Q values were obtained by combining optical measurements of the quadrupole coupling constant (B or eqQ/h) of the 3s23p54s[3/2]2 (3Po) and 3s23p54p[5/2]3 (3De) states of argon with large scale numerical complete active space self-consistent field and restricted active space self-consistent field calculations of the electric field gradient at the nucleus (q) using the LUCAS code, which is a finite-element based multiconfiguration Hartree-Fock program for atomic structure calculations.

Trace analysis of pesticides in paddy field water by direct injection using liquid chromatography-quadrupole-linear ion trap-mass spectrometry.

PubMed

Pareja, Lucía; Martínez-Bueno, M J; Cesio, Verónica; Heinzen, Horacio; Fernández-Alba, A R

2011-07-29

A multiresidue method was developed for the quantification and confirmation of 70 pesticides in paddy field water. After its filtration, water was injected directly in a liquid chromatograph coupled to a hybrid triple quadrupole-linear ion trap-mass spectrometer (QqLIT). The list of target analytes included organophosphates, phenylureas, sulfonylureas, carbamates, conazoles, imidazolinones and others compounds widely used in different countries where rice is cropped. Detection and quantification limits achieved were in the range from 0.4 to 80 ng L(-1) and from 2 to 150 ng L(-1), respectively. Correlation coefficients for the calibration curves in the range 0.1-50 μg L(-1) were higher than 0.99 except for diazinon (0.1-25 μg L(-1)). Only 9 pesticides presented more than 20% of signal suppression/enhancement, no matrix effect was observed in the studied conditions for the rest of the target pesticides. The method developed was used to investigate the occurrence of pesticides in 59 water samples collected in paddy fields located in Spain and Uruguay. The study shows the presence of bensulfuron methyl, tricyclazole, carbendazim, imidacloprid, tebuconazole and quinclorac in a concentration range from 0.08 to 7.20 μg L(-1). Copyright © 2011 Elsevier B.V. All rights reserved.

K2 Mn4 O8 /Reduced Graphene Oxide Nanocomposites for Excellent Lithium Storage and Adsorption of Lead Ions.

PubMed

Hao, Shu-Meng; Qu, Jin; Yang, Jing; Gui, Chen-Xi; Wang, Qian-Qian; Li, Qian-Jie; Li, Xiaofeng; Yu, Zhong-Zhen

2016-03-01

Ion diffusion efficiency at the solid-liquid interface is an important factor for energy storage and adsorption from aqueous solution. Although K 2 Mn 4 O 8 (KMO) exhibits efficient ion diffusion and ion-exchange capacities, due to its high interlayer space of 0.70 nm, how to enhance its mass transfer performance is still an issue. Herein, novel layered KMO/reduced graphene oxide (RGO) nanocomposites are fabricated through the anchoring of KMO nanoplates on RGO with a mild solution process. The face-to-face structure facilitates fast transfer of lithium and lead ions; thus leading to excellent lithium storage and lead ion adsorption. The anchoring of KMO on RGO not only increases electrical conductivity of the layered nanocomposites, but also effectively prevents aggregation of KMO nanoplates. The KMO/RGO nanocomposite with an optimal RGO content exhibits a first cycle charge capacity of 739 mA h g -1 , which is much higher than that of KMO (326 mA h g -1 ). After 100 charge-discharge cycles, it still retains a charge capacity of 664 mA h g -1 . For the adsorption of lead ions, the KMO/RGO nanocomposite exhibits a capacity of 341 mg g -1 , which is higher than those of KMO (305 mg g -1 ) and RGO (63 mg g -1 ) alone. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Confined Transformation Derived Ultrathin Titanate Nanosheets/ Graphene Films for Excellent Na/K Ion Storage.

PubMed

Zeng, Cheng; Xie, Fangxi; Yang, Xianfeng; Jaroniec, Mietek; Zhang, Lei; Qiao, Shizhang

2018-05-02

Confined transformation of assembled two-dimensional MXene (titanium carbide) and reduced graphene oxide (rGO) nanosheets was employed to prepare the free-standing films of the integrated ultrathin sodium titanate (NTO)/potassium titanate (KTO) nanosheets sandwiched between graphene layers. The ultrathin Ti-based nanosheets reduce the diffusion distance while rGO layers enhance conductivity. Incorporation of graphene into the titanate films produced efficient binder-free anodes for ion storage. The resulting NTO/rGO electrode for sodium ion batteries exhibited an excellent rate performance and long cycling stability characterized by reversible capacity of 72 mA h g-1 at 5 A g-1 after 10000 cycles. Moreover, flexible KTO/rGO electrode for potassium ion batteries maintained a reversible capacity of 75 mA h g-1 after 700 cycles at 2 A g-1. These results demonstrate the superiority of the unique sandwich-type electrodes. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

DETERMINING ION COMPOSITIONS USING AN ACCURATE MASS, TRIPLE QUADRUPOLE MASS SPECTROMETER

EPA Science Inventory

For the past decade, we have used double focusing mass spectrometers to determine
compositions of ions observed in mass spectra produced from compounds introduced by GC
based on measured exact masses of the ions and their +1 and +2 isotopic profiles arising from atoms of ...

Impurity quadrupole Kondo ground state in a dilute Pr system Y1-xPrxIr2Zn20

NASA Astrophysics Data System (ADS)

Yamane, Yu; Onimaru, Takahiro; Uenishi, Kazuto; Wakiya, Kazuhei; Matsumoto, Keisuke T.; Umeo, Kazunori; Takabatake, Toshiro

2018-05-01

The electrical resistivity ρ and specific heat C of a dilute Pr system Y1-xPrxIr2Zn20 for 0 ≤ x ≤ 0.44 were measured to study the phenomena arising from active quadrupoles of the Pr3+ ion with 4f2 configuration. On cooling, ρ's of all samples monotonically decrease, while the residual resistivity ratio ρ(300 K)/ρ(3 K) drastically decreases with x. In the whole range x ≤ 0.44, the magnetic contribution to the specific heat divided by temperature Cm/T shows a broad maximum at around 10 K, which can be reproduced by a two-level model with a first-excited triplet separated by 30 K from a ground state doublet. This indicates that the crystalline electric field ground state of the Pr ions remains in the Γ3 doublet for the cubic Td point group. On cooling, the Cm/T data for x = 0.085 and 0.44 approach constant values at T<0.3 K as expected from the random two-level model. By contrast, Cm/T for x = 0.044 increases continuously down to 0.08 K, suggesting a non-Fermi liquid state due to the impurity quadrupole Kondo effect.

Pseudocapacitive Sodium Storage in Mesoporous Single-Crystal-like TiO2-Graphene Nanocomposite Enables High-Performance Sodium-Ion Capacitors.

PubMed

Le, Zaiyuan; Liu, Fang; Nie, Ping; Li, Xinru; Liu, Xiaoyan; Bian, Zhenfeng; Chen, Gen; Wu, Hao Bin; Lu, Yunfeng

2017-03-28

Sodium-ion capacitors can potentially combine the virtues of high power capability of conventional electrochemical capacitors and high energy density of batteries. However, the lack of high-performance electrode materials has been the major challenge of sodium-based energy storage devices. In this work, we report a microwave-assisted synthesis of single-crystal-like anatase TiO 2 mesocages anchored on graphene as a sodium storage material. The architecture of the nanocomposite results in pseudocapacitive charge storage behavior with fast kinetics, high reversibility, and negligible degradation to the micro/nanostructure. The nanocomposite delivers a high capacity of 268 mAh g -1 at 0.2 C, which remains 126 mAh g -1 at 10 C for over 18 000 cycles. Coupling with a carbon-based cathode, a full cell of sodium-ion capacitor successfully demonstrates a high energy density of 64.2 Wh kg -1 at 56.3 W kg -1 and 25.8 Wh kg -1 at 1357 W kg -1 , as well as an ultralong lifespan of 10 000 cycles with over 90% of capacity retention.

Experimental Methods for Trapping Ions Using Microfabricated Surface Ion Traps

PubMed Central

Hong, Seokjun; Lee, Minjae; Kwon, Yeong-Dae; Cho, Dong-il "Dan"; Kim, Taehyun

2017-01-01

Ions trapped in a quadrupole Paul trap have been considered one of the strong physical candidates to implement quantum information processing. This is due to their long coherence time and their capability to manipulate and detect individual quantum bits (qubits). In more recent years, microfabricated surface ion traps have received more attention for large-scale integrated qubit platforms. This paper presents a microfabrication methodology for ion traps using micro-electro-mechanical system (MEMS) technology, including the fabrication method for a 14 µm-thick dielectric layer and metal overhang structures atop the dielectric layer. In addition, an experimental procedure for trapping ytterbium (Yb) ions of isotope 174 (174Yb+) using 369.5 nm, 399 nm, and 935 nm diode lasers is described. These methodologies and procedures involve many scientific and engineering disciplines, and this paper first presents the detailed experimental procedures. The methods discussed in this paper can easily be extended to the trapping of Yb ions of isotope 171 (171Yb+) and to the manipulation of qubits. PMID:28872137

Improved sensitivity of ochratoxin A analysis in coffee using high-performance liquid chromatography with hybrid triple quadrupole-linear ion trap mass spectrometry (LC-QqQLIT-MS/MS).

PubMed

Kokina, Aija; Pugajeva, Iveta; Bartkevics, Vadims

2016-01-01

A novel and sensitive method utilising high-performance liquid chromatography coupled to triple quadrupole-linear ion trap mass spectrometry (LC-QqQLIT-MS/MS) was developed in order to analyse the content of ochratoxin A (OTA) in coffee samples. The introduction of the triple-stage MS scanning mode (MS(3)) has been shown to increase greatly sensitivity and selectivity by eliminating the high chromatographic baseline caused by interference of complex coffee matrices. The analysis included the sample preparation procedure involving extraction of OTA using a methanol-water mixture and clean-up by immunoaffinity columns and detection using the MS(3) scanning mode of LC-QqQLIT-MS/MS. The proposed method offered a good linear correlation (r(2) > 0.998), excellent precision (RSD < 2.9%) and recovery (94%). The limit of quantification (LOQ) for coffee beans and espresso beverages was 0.010 and 0.003 µg kg(-1), respectively. The developed procedure was compared with traditional methods employing liquid chromatography coupled to fluorescent and tandem quadrupole detectors in conjunction with QuEChERS and solid-phase extraction. The proposed method was successfully applied to the determination of OTA in 15 samples of coffee beans and in 15 samples of espresso coffee beverages obtained from the Latvian market. OTA was found in 10 samples of coffee beans and in two samples of espresso in the ranges of 0.018-1.80 µg kg(-1) and 0.020-0.440 µg l(-1), respectively. No samples exceeded the maximum permitted level of OTA in the European Union (5.0 µg kg(-1)).

Ion composition in a noctilucent cloud

NASA Technical Reports Server (NTRS)

Goldberg, R. A.; Witt, G.

1976-01-01

Ion composition at mesospheric altitudes was measured and compared between high and mid-latitude sites under summer daytime conditions. Rocket-borne measurements were made with pumped quadrupole ion mass spectrometers. The mid-latitude data were obtained at Wallops Island, Virginia on June 30, 1973, at 1510 LMT. Large quantities of hydronium cluster ions were observed through 109+, with maximum concentrations at 55+ and 73+. Also, cluster ions of nitric oxide were observed through 84+. The high latitude launch occurred at Kiruna, Sweden on August 2, 1973, at 0700 LMT following visual sighting of a noctilucent cloud on the prior evening. The data near mesopause shows cluster ions, but also a preponderance of heavy ions between 90 and 145 AMU, with groupings 18 AMU apart but unrelated to the more typical cluster ions. One possible set of consistent identifications leads to iron and iron oxide hydrates. These results may suggest the presence of metallic particulates and ions which form hydrated clusters ions.

Field Quality from Tolerance Stack-up In R&D Quadrupoles for the Advanced Photon Source Upgrade

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

Liu, J.; Jaski, M.; Dejus, R.

2016-10-01

The Advanced Photon Source (APS) at Argonne National Laboratory (ANL) is considering upgrading the current double-bend, 7-GeV, 3rd generation storage ring to a 6-GeV, 4th generation storage ring with a Multibend Achromat (MBA) lattice. In this study, a novel method is proposed to determine fabrication and assembly tolerances through a combination of magnetic and mechanical tolerance analyses. Mechanical tolerance stackup analyses using Teamcenter Variation Analysis are carried out to determine the part and assembly level fabrication tolerances. Finite element analyses using OPERA are conducted to estimate the effect of fabrication and assembly errors on the magnetic field of a quadrupolemore » magnet and to determine the allowable tolerances to achieve the desired magnetic performance. Finally, results of measurements in R&D quadrupole prototypes are compared with the analysis results.« less

The Assessment of Selectivity in Different Quadrupole-Orbitrap Mass Spectrometry Acquisition Modes

NASA Astrophysics Data System (ADS)

Berendsen, Bjorn J. A.; Wegh, Robin S.; Meijer, Thijs; Nielen, Michel W. F.

2015-02-01

Selectivity of the confirmation of identity in liquid chromatography (tandem) mass spectrometry using Q-Orbitrap instrumentation was assessed using different acquisition modes based on a representative experimental data set constructed from 108 samples, including six different matrix extracts and containing over 100 analytes each. Single stage full scan, all ion fragmentation, and product ion scanning were applied. By generating reconstructed ion chromatograms using unit mass window in targeted MS2, selected reaction monitoring (SRM), regularly applied using triple-quadrupole instruments, was mimicked. This facilitated the comparison of single stage full scan, all ion fragmentation, (mimicked) SRM, and product ion scanning applying a mass window down to 1 ppm. Single factor Analysis of Variance was carried out on the variance (s2) of the mass error to determine which factors and interactions are significant parameters with respect to selectivity. We conclude that selectivity is related to the target compound (mainly the mass defect), the matrix, sample clean-up, concentration, and mass resolution. Selectivity of the different instrumental configurations was quantified by counting the number of interfering peaks observed in the chromatograms. We conclude that precursor ion selection significantly contributes to selectivity: monitoring of a single product ion at high mass accuracy with a 1 Da precursor ion window proved to be equally selective or better to monitoring two transition products in mimicked SRM. In contrast, monitoring a single fragment in all ion fragmentation mode results in significantly lower selectivity versus mimicked SRM. After a thorough inter-laboratory evaluation study, the results of this study can be used for a critical reassessment of the current identification points system and contribute to the next generation of evidence-based and robust performance criteria in residue analysis and sports doping.

Matrix-assisted laser desorption/ionization coupled with quadrupole/orthogonal acceleration time-of-flight mass spectrometry for protein discovery, identification, and structural analysis.

PubMed

Baldwin, M A; Medzihradszky, K F; Lock, C M; Fisher, B; Settineri, T A; Burlingame, A L

2001-04-15

The design and operation of a novel UV-MALDI ionization source on a commercial QqoaTOF mass spectrometer (Applied Biosystem/MDS Sciex QSTAR Pulsar) is described. Samples are loaded on a 96-well target plate, the movement of which is under software control and can be readily automated. Unlike conventional high-energy MALDI-TOF, the ions are produced with low energies (5-10 eV) in a region of relatively low vacuum (8 mTorr). Thus, they are cooled by extensive low-energy collisions before selection in the quadrupole mass analyzer (Q1), potentially giving a quasi-continuous ion beam ideally suited to the oaTOF used for mass analysis of the fragment ions, although ion yields from individual laser shots may vary widely. Ion dissociation is induced by collisions with argon in an rf-only quadrupole cell, giving typical low-energy CID spectra for protonated peptide ions. Ions separated in the oaTOF are registered by a four-anode detector and time-to-digital converter and accumulated in "bins" that are 625 ps wide. Peak shapes depend upon the number of ion counts in adjacent bins. As expected, the accuracy of mass measurement is shown to be dependent upon the number of ions recorded for a particular peak. With internal calibration, mass accuracy better than 10 ppm is attainable for peaks that contain sufficient ions to give well-defined Gaussian profiles. By virtue of its high resolution, capability for accurate mass measurements, and sensitivity in the low-femotomole range, this instrument is ideally suited to protein identification for proteomic applications by generation of peptide tags, manual sequence interpretation, identification of modifications such as phosphorylation, and protein structural elucidation. Unlike the multiply charged ions typical of electrospray ionization, the singly charged MALDI-generated peptide ions show a linear dependence of optimal collision energy upon molecular mass, which is advantageous for automated operation. It is shown that the novel

Comparing the Performance of Hyperbolic and Circular Rod Quadrupole Mass Spectrometers with Applied Higher Order Auxiliary Excitation

NASA Technical Reports Server (NTRS)

Gershman, D.J.; Block, B.P.; Rubin, M.; Benna, M.; Mahaffy, P. R.; Zurbuchen, T. H.

2012-01-01

This work applies higher order auxiliary excitation techniques to two types of quadrupole mass spectrometers (QMSs): commercial systems and spaceborne instruments. The operational settings of a circular rod geometry commercial system and an engineering test-bed for a hyperbolic rod geometry spaceborne instrument were matched, with the relative performance of each sensor characterized with and without applied excitation using isotopic measurements of Kr+. Each instrument was operated at the limit of the test electronics to determine the effect of auxiliary excitation on extending instrument capabilities. For the circular rod sensor, with applied excitation, a doubling of the mass resolution at 1% of peak transmission resulted from the elimination of the low-mass side peak tail typical of such rod geometries. The mass peak stability and ion rejection efficiency were also increased by factors of 2 and 10, respectively, with voltage scan lines passing through the center of stability islands formed from auxiliary excitation. Auxiliary excitation also resulted in factors of 6 and 2 in peak stability and ion rejection efficiency, respectively, for the hyperbolic rod sensor. These results not only have significant implications for the use of circular rod quadrupoles with applied excitation as a suitable replacement for traditional hyperbolic rod sensors, but also for extending the capabilities of existing hyperbolic rod QMSs for the next generation of spaceborne instruments and low-mass commercial systems.

Biphase Cobalt-Manganese Oxide with High Capacity and Rate Performance for Aqueous Sodium-Ion Electrochemical Energy Storage

DOE PAGES

Shan, Xiaoqiang; Charles, Daniel S.; Xu, Wenqian; ...

2017-11-22

Manganese-based metal oxide electrode materials are of great importance in electrochemical energy storage for their favorable redox behavior, low cost and environmental-friendliness. However, their storage capacity and cycle life in aqueous Na-ion electrolytes is not satisfactory. In this paper, we report the development of a bi-phase cobalt-manganese oxide (Co-Mn-O) nanostructured electrode material, comprised of a layered MnO 2.H 2O birnessite phase and a (Co 0.83Mn 0.13Va 0.04)tetra(Co 0.38Mn 1.62) octaO 3.72 (Va: vacancy; tetra: tetrahedral sites; octa: octahedral sites) spinel phase, verified by neutron total scattering and pair distribution function analyses. The bi-phase Co-Mn-O material demonstrates an excellent storage capacitymore » towards Na-ions in an aqueous electrolyte (121 mA h g -1 at a scan rate of 1 mV s -1 in the half-cell and 81 mA h g -1 at a current density of 2 A g -1 after 5000 cycles in full-cells), as well as high rate performance (57 mA h g -1 a rate of 360 C). Electro-kinetic analysis and in situ X-ray diffraction measurements further confirm that the synergistic interaction between the spinel and layered phases, as well as the vacancy of the tetrahedral sites of spinel phase, contribute to the improved capacity and rate performance of the Co-Mn-O material by facilitating both diffusion-limited redox and capacitive charge storage processes.« less

Biphase Cobalt-Manganese Oxide with High Capacity and Rate Performance for Aqueous Sodium-Ion Electrochemical Energy Storage

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

Shan, Xiaoqiang; Charles, Daniel S.; Xu, Wenqian

Manganese-based metal oxide electrode materials are of great importance in electrochemical energy storage for their favorable redox behavior, low cost and environmental-friendliness. However, their storage capacity and cycle life in aqueous Na-ion electrolytes is not satisfactory. In this paper, we report the development of a bi-phase cobalt-manganese oxide (Co-Mn-O) nanostructured electrode material, comprised of a layered MnO 2.H 2O birnessite phase and a (Co 0.83Mn 0.13Va 0.04)tetra(Co 0.38Mn 1.62) octaO 3.72 (Va: vacancy; tetra: tetrahedral sites; octa: octahedral sites) spinel phase, verified by neutron total scattering and pair distribution function analyses. The bi-phase Co-Mn-O material demonstrates an excellent storage capacitymore » towards Na-ions in an aqueous electrolyte (121 mA h g -1 at a scan rate of 1 mV s -1 in the half-cell and 81 mA h g -1 at a current density of 2 A g -1 after 5000 cycles in full-cells), as well as high rate performance (57 mA h g -1 a rate of 360 C). Electro-kinetic analysis and in situ X-ray diffraction measurements further confirm that the synergistic interaction between the spinel and layered phases, as well as the vacancy of the tetrahedral sites of spinel phase, contribute to the improved capacity and rate performance of the Co-Mn-O material by facilitating both diffusion-limited redox and capacitive charge storage processes.« less

Status of the laser ion source at IMP

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

Sha, S.; Graduate University of Chinese Academy of Sciences, Beijing 100049; School of Nuclear science and technology, Lanzhou University, Lanzhou 73000

2012-02-15

A laser (Nd:YAG laser, 3 J, 1064 nm, 8-10 ns) ion source has been built and under development at IMP to provide pulsed high-charge-state heavy ion beams to a radio frequency quadrupole (RFQ) for upgrading the IMP accelerators with a new low-energy beam injector. The laser ion source currently operates in a direct plasma injection scheme to inject the high charge state ions produced from a solid target into the RFQ. The maximum power density on the target was about 8.4 x 10{sup 12} W/cm{sup 2}. The preliminary experimental results will be presented and discussed in this paper.

A high excitation magnetic quadrupole lens quadruplet incorporating a single octupole lens for a low spherical aberration probe forming lens system

NASA Astrophysics Data System (ADS)

Dou, Yanxin; Jamieson, David N.; Liu, Jianli; Li, Liyi

2018-03-01

This paper describes the design of a new probe forming lens system consisting of a high excitation magnetic quadrupole lens quadruplet that incorporates a single magnetic octupole lens. This system achieves both a high demagnification and a low spherical aberration compared to conventional high excitation systems and is intended for deployment for the Harbin 300 MeV proton microprobe for applications in space science and ion beam therapy. This relative simplicity of the ion optical design to include a single octupole lens minimizes the risks associated with the constructional and operational precision usually needed for the probe forming lens system and this system could also be deployed in microprobe systems that operate with less magnetically rigid ions. The design of the new system is validated with reference to two independent ion optical computer codes.

Tailored-waveform Collisional Activation of Peptide Ion Electron Transfer Survivor Ions in Cation Transmission Mode Ion/Ion Reaction Experiments

PubMed Central

Han, Hongling; Londry, Frank A.; Erickson, David E.; McLuckey, Scott A.

2010-01-01

SUMMARY Broad-band resonance excitation via a tailored waveform in a high pressure collision cell (Q2) on a hybrid quadrupole/time-of-flight (QqTOF) tandem mass spectrometer has been implemented for cation transmission mode electron transfer ion/ion reactions of tryptic polypeptides. The frequency components in the broadband waveform were defined to excite the first generation intact electron transfer products for relatively large tryptic peptides. The optimum amplitude of the arbitrary waveform applied has been determined empirically to be 3.0 Vp-p, which is effective for relatively high mass-to-charge (m/z) ratio precursor ions with little elimination of sequence information for low m/z ions. The application of broadband activation during the transmission mode ion/ion reaction obviates frequency and amplitude tuning normally associated with ion trap collision induced dissociation (CID). This approach has been demonstrated with triply and doubly charged tryptic peptides with and without post-translational modifications. Enhanced structural information was achieved by production of a larger number of informative c- and z-type fragments using the tailored waveform on unmodified and modified (phosphorylated and glycosylated) peptides when the first generation intact electron transfer products fell into the defined frequency range. This approach can be applied to a wide range of tryptic peptide ions, making it attractive as a rapid and general approach for ETD LC-MS/MS of tryptic peptides in a QqTOF instrument. PMID:19305916

The quadrupole ionosphere

NASA Technical Reports Server (NTRS)

Rishbeth, H.

1986-01-01

The principal features that might exist in the terrestrial paleoionosphere, if the geomagnetic field were to assume a quadrupole form during a polarity reversal are discussed. Complicated phenomena would be expected to occur at magnetic equators and magnetospherically-driven plasma convection might occur at latitudes where the magnetic field is steeply inclined. The influence of magnetic field strength on ionospheric structure is considered in general terms.

Apparatus, Method and Program Storage Device for Determining High-Energy Neutron/Ion Transport to a Target of Interest

NASA Technical Reports Server (NTRS)

Wilson, John W. (Inventor); Tripathi, Ram K. (Inventor); Cucinotta, Francis A. (Inventor); Badavi, Francis F. (Inventor)

2012-01-01

An apparatus, method and program storage device for determining high-energy neutron/ion transport to a target of interest. Boundaries are defined for calculation of a high-energy neutron/ion transport to a target of interest; the high-energy neutron/ion transport to the target of interest is calculated using numerical procedures selected to reduce local truncation error by including higher order terms and to allow absolute control of propagated error by ensuring truncation error is third order in step size, and using scaling procedures for flux coupling terms modified to improve computed results by adding a scaling factor to terms describing production of j-particles from collisions of k-particles; and the calculated high-energy neutron/ion transport is provided to modeling modules to control an effective radiation dose at the target of interest.

Rapid screening of 35 new psychoactive substances by ion mobility spectrometry (IMS) and direct analysis in real time (DART) coupled to quadrupole time-of-flight mass spectrometry (QTOF-MS).

PubMed

Gwak, Seongshin; Almirall, Jose R

2015-10-01

The recent propagation of new psychoactive substances (NPS) has led to the development of new techniques for the rapid characterization of controlled substances in this category. A commercial bench-top ion mobility spectrometer (IMS) with a (63) Ni ionization source and a direct analysis in real time (DART) coupled to quadrupole time-of-flight (QTOF) were used for the rapid characterization of 35 NPS. The advantages of these techniques are fast response, ease of operation, and minimal sample preparation. The characteristic reduced mobilities of each substance are reported as are the mass spectra of the 35 compounds. The acquired product ion scan mass spectra were also compared to a library database constructed by QTOF with a electrospray ionization (ESI) source and showed a consistent relative abundance for each peak over time. A total of four seized drug samples provided by the local forensic laboratory were analyzed in order to demonstrate the utility of this approach. The results of this study suggest that both IMS and DART-QTOF are promising alternatives for the rapid screening and characterization of these new psychoactive substances. Copyright © 2015 John Wiley & Sons, Ltd.

High-energy accelerator for beams of heavy ions

DOEpatents

Martin, Ronald L.; Arnold, Richard C.

1978-01-01

An apparatus for accelerating heavy ions to high energies and directing the accelerated ions at a target comprises a source of singly ionized heavy ions of an element or compound of greater than 100 atomic mass units, means for accelerating the heavy ions, a storage ring for accumulating the accelerated heavy ions and switching means for switching the heavy ions from the storage ring to strike a target substantially simultaneously from a plurality of directions. In a particular embodiment the heavy ion that is accelerated is singly ionized hydrogen iodide. After acceleration, if the beam is of molecular ions, the ions are dissociated to leave an accelerated singly ionized atomic ion in a beam. Extraction of the beam may be accomplished by stripping all the electrons from the atomic ion to switch the beam from the storage ring by bending it in magnetic field of the storage ring.

Fluorescence spectroscopy of trapped molecular ions

NASA Astrophysics Data System (ADS)

Wright, Kenneth Charles

This thesis describes the development of a unique instrument capable of detecting fluorescence emission from large gas phase molecular ions trapped in a three-dimensional quadrupole ion trap. The hypothesis that has formed the basis of this work is the belief that fluorescence spectroscopy can be combined with ion trap mass spectrometry to probe the structure of gas phase molecular ions. The ion trap provides a rarefied environment where fluorescence experiments can be conducted without interference from solvent molecules or impurities. Although fluorescence was not detected during preliminary experiments, two significant experimental challenges associated with detecting the gas phase fluorescence of ions were discovered. First, gas phase ions were vulnerable to photodissociation and low laser powers were necessary to avoid photodissociation. Since fluorescence emission is directly proportional to laser intensity, a lower laser power limits the fluorescence signal. Second, the fluorescence emission was not significantly Stokes shifted from the excitation. The lack of Stokes shift meant the small fluorescence signal must be detected in the presence of a large amount of background scatter generated by the excitation. Initially, this background was seven orders of magnitude higher than the analytical signal ultimately detected. A specially designed fiber optic probe was inserted between the electrodes of the ion trap to stop light scattered off the outside surfaces of the trap from reaching the detector. The inside surfaces of the ion trap were coated black to further reduce the amount of scattered light collected. These innovations helped reduced the background by six orders of magnitude and fluorescence emission from rhodamine-6G was detected. Pulse counting experiments were used to optimize fluorescence detection. The effects of trapping level, laser power, and irradiation time were investigated and optimized. The instrument developed in this work not only allows

Investigation of an enhanced resolution triple quadrupole mass spectrometer for high-throughput liquid chromatography/tandem mass spectrometry assays.

PubMed

Yang, Liyu; Amad, Ma'an; Winnik, Witold M; Schoen, Alan E; Schweingruber, Hans; Mylchreest, Iain; Rudewicz, Patrick J

2002-01-01

Triple quadrupole mass spectrometers, when operated in multiple reaction monitoring (MRM) mode, offer a unique combination of sensitivity, specificity, and dynamic range. Consequently, the triple quadrupole is the workhorse for high-throughput quantitation within the pharmaceutical industry. However, in the past, the unit mass resolution of quadrupole instruments has been a limitation when interference from matrix or metabolites cannot be eliminated. With recent advances in instrument design, triple quadrupole instruments now afford mass resolution of less than 0.1 Dalton (Da) full width at half maximum (FWHM). This paper describes the evaluation of an enhanced resolution triple quadrupole mass spectrometer for high-throughput bioanalysis with emphasis on comparison of selectivity, sensitivity, dynamic range, precision, accuracy, and stability under both unit mass (1 Da FWHM) and enhanced (ion from the first quadrupole contained not only protonated molecules from mometasone, but also PPG interference. At enhanced resolution only selected mometasone peaks were transmitted, and no interference from PPG was detected. Sensitivity of the instrument was demonstrated with 10 femtograms of descarboethoxyloratadine injected on-column, for which a signal-to-noise (S/N) ratio of 24 was obtained for MRM chromatograms at both unit and enhanced resolution. Absolute signals obtained at enhanced resolution were about one-third those obtained at unit mass resolution. However, S/N was maintained at enhanced resolution due to the proportional decrease in noise level. Finally, the stability of the instrument operating at enhanced resolution was demonstrated during an overnight 17 h period that was used to validate a liquid chromatography/tandem mass spectrometry (LC/MS/MS) assay for

Tuning the Solid Electrolyte Interphase for Selective Li- and Na-Ion Storage in Hard Carbon

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

Soto, Fernando A.; Yan, Pengfei; Engelhard, Mark H.

Solid-electrolyte interphase (SEI) films with controllable properties are highly desirable for improving battery performance. In this paper, a combined experimental and theoretical approach is used to study SEI films formed on hard carbon in Li- and Na-ion batteries. It is shown that a stable SEI layer can be designed by precycling an electrode in a desired Li- or Na-based electrolyte, and that ionic transport can be kinetically controlled. Selective Li- and Na-based SEI membranes are produced using Li- or Na-based electrolytes, respectively. The Na-based SEI allows easy transport of Li ions, while the Li-based SEI shuts off Na-ion transport. Na-ionmore » storage can be manipulated by tuning the SEI layer with film-forming electrolyte additives, or by preforming an SEI layer on the electrode surface. The Na specific capacity can be controlled to < 25 mAh g(-1); approximate to 1/10 of the normal capacity (250 mAh g(-1)). Unusual selective/ preferential transport of Li ions is demonstrated by preforming an SEI layer on the electrode surface and corroborated with a mixed electrolyte. This work may provide new guidance for preparing good ion-selective conductors using electrochemical approaches.« less

The nuclear electric quadrupole moment of copper.

PubMed

Santiago, Régis Tadeu; Teodoro, Tiago Quevedo; Haiduke, Roberto Luiz Andrade

2014-06-21

The nuclear electric quadrupole moment (NQM) of the (63)Cu nucleus was determined from an indirect approach by combining accurate experimental nuclear quadrupole coupling constants (NQCCs) with relativistic Dirac-Coulomb coupled cluster calculations of the electric field gradient (EFG). The data obtained at the highest level of calculation, DC-CCSD-T, from 14 linear molecules containing the copper atom give rise to an indicated NQM of -198(10) mbarn. Such result slightly deviates from the previously accepted standard value given by the muonic method, -220(15) mbarn, although the error bars are superimposed.

The Laser Ablation Ion Funnel: Sampling for in situ Mass Spectrometry on Mars

NASA Technical Reports Server (NTRS)

Johnson, Paul V.; Hodyss, Robert; Tang, Keqi; Brinckerhoff, William B.; Smith, Richard D.

2011-01-01

A considerable investment has been made by NASA and other space agencies to develop instrumentation suitable for in situ analytical investigation of extra terrestrial bodies including various mass spectrometers (time-of-flight, quadrupole ion trap, quadrupole mass filters, etc.). However, the front-end sample handling that is needed to collect and prepare samples for interrogation by such instrumentation remains underdeveloped. Here we describe a novel approach tailored to the exploration of Mars where ions are created in the ambient atmosphere via laser ablation and then efficiently transported into a mass spectrometer for in situ analysis using an electrodynamic ion funnel. This concept would enable elemental and isotopic analysis of geological samples with the analysis of desorbed organic material a possibility as well. Such an instrument would be suitable for inclusion on all potential missions currently being considered such as the Mid-Range Rover, the Astrobiology Field Laboratory, and Mars Sample Return (i.e., as a sample pre-selection triage instrument), among others.

Energy storage mechanism in aqueous fiber-shaped Li-ion capacitors based on aligned hydrogenated-Li4Ti5O12 nanowires.

PubMed

Zhao, Hao; Ma, Xiangwen; Bai, Jinglong; Yang, Zhenyu; Sun, Gengzhi; Zhang, Zhenxing; Pan, Xiaojun; Lan, Wei; Zhou, Jin Yuan; Xie, Erqing

2017-06-22

It is reported that Li ions can contribute a lot to the capacitance of aqueous Li-ion capacitors (LICs), which might be due to the intercalation/de-intercalation processes of Li + ions that also occur at the anodes. However the energy storage mechanism in the aqueous LIC system still requires further proof. In this work, a type of aqueous fiber-shaped LIC has been designed and developed using hydrogenated Li 4 Ti 5 O 12 (H-LTO) anodes, active carbon (AC) cathodes, and LiCl/PVA gel electrolytes with a double-helical structure. The obtained single LTO wire electrode exhibits a high specific capacitance in volume (34.1 F cm -3 ) and superior cycling stabilities (∼100% over 100 000 cycles), both of which are due to the formed amorphous layers at the surface of the electrodes. Moreover, it is found via sweep voltammetry analysis that most of the energy stored in an aqueous fiber-shaped capacitor electrode is attributed to the Li ions' intercalation, whose content exceeds 85% at a low scan rate and gradually decreases with increasing scan rate; while the energy stored by the double electric layers remains almost unchanged with different scan rates. Furthermore, the well-matched wearable fiber-shaped LICs show high capacitive behaviors (18.44 μW h cm -2 ) and superior static/dynamic cycling stabilities. This research would provide some insight into the charge storage mechanism in electrodes in the aqueous system, and give more suggestions to develop high-energy-density fiber-shaped energy storage devices.

A flexible ligand-based wavy layered metal-organic framework for lithium-ion storage.

PubMed

An, Tiance; Wang, Yuhang; Tang, Jing; Wang, Yang; Zhang, Lijuan; Zheng, Gengfeng

2015-05-01

A substantial challenge for direct utilization of metal-organic frameworks (MOFs) as lithium-ion battery anodes is to maintain the rigid MOF structure during lithiation/delithiation cycles. In this work, we developed a flexible, wavy layered nickel-based MOF (C20H24Cl2N8Ni, designated as Ni-Me4bpz) by a solvothermal approach of 3,3',5,5'-tetramethyl-4,4'-bipyrazole (H2Me4bpz) with nickel(II) chloride hexahydrate. The obtained MOF materials (Ni-Me4bpz) with metal azolate coordination mode provide 2-dimensional layered structure for Li(+) intercalation/extraction, and the H2Me4bpz ligands allow for flexible rotation feature and structural stability. Lithium-ion battery anodes made of the Ni-Me4bpz material demonstrate excellent specific capacity and cycling performance, and the crystal structure is well preserved after the electrochemical tests, suggesting the potential of developing flexible layered MOFs for efficient and stable electrochemical storage. Copyright © 2015 Elsevier Inc. All rights reserved.

Rational design of efficient electrode–electrolyte interfaces for solid-state energy storage using ion soft landing

DOE PAGES

Prabhakaran, Venkateshkumar; Mehdi, B. Layla; Ditto, Jeffrey J.; ...

2016-04-21

Here, the rational design of improved electrode-electrolyte interfaces (EEI) for energy storage is critically dependent on a molecular-level understanding of ionic interactions and nanoscale phenomena. The presence of non-redox active species at EEI has been shown to strongly influence Faradaic efficiency and long-term operational stability during energy storage processes. Herein, we achieve substantially higher performance and long-term stability of EEI prepared with highly-dispersed discrete redox-active cluster anions (50 ng of pure ~0.7 nm size molybdenum polyoxometalate anions (POM) anions on 25 mg (≈ 0.2 wt%) carbon nanotube (CNT) electrodes) by complete elimination of strongly coordinating non-redox species through ion soft-landingmore » (SL). For the first time, electron microscopy provides atomically-resolved images of individual POM species directly on complex technologically relevant CNT electrodes. In this context, SL is established as a versatile approach for the controlled design of novel surfaces for both fundamental and applied research in energy storage.« less

Characterization of the ELIMED Permanent Magnets Quadrupole system prototype with laser-driven proton beams

NASA Astrophysics Data System (ADS)

Schillaci, F.; Pommarel, L.; Romano, F.; Cuttone, G.; Costa, M.; Giove, D.; Maggiore, M.; Russo, A. D.; Scuderi, V.; Malka, V.; Vauzour, B.; Flacco, A.; Cirrone, G. A. P.

2016-07-01

Laser-based accelerators are gaining interest in recent years as an alternative to conventional machines [1]. In the actual ion acceleration scheme, energy and angular spread of the laser-driven beams are the main limiting factors for beam applications and different solutions for dedicated beam-transport lines have been proposed [2,3]. In this context a system of Permanent Magnet Quadrupoles (PMQs) has been realized [2] by INFN-LNS (Laboratori Nazionali del Sud of the Instituto Nazionale di Fisica Nucleare) researchers, in collaboration with SIGMAPHI company in France, to be used as a collection and pre-selection system for laser driven proton beams. This system is meant to be a prototype to a more performing one [3] to be installed at ELI-Beamlines for the collection of ions. The final system is designed for protons and carbons up to 60 MeV/u. In order to validate the design and the performances of this large bore, compact, high gradient magnetic system prototype an experimental campaign have been carried out, in collaboration with the group of the SAPHIR experimental facility at LOA (Laboratoire d'Optique Appliquée) in Paris using a 200 TW Ti:Sapphire laser system. During this campaign a deep study of the quadrupole system optics has been performed, comparing the results with the simulation codes used to determine the setup of the PMQ system and to track protons with realistic TNSA-like divergence and spectrum. Experimental and simulation results are good agreement, demonstrating the possibility to have a good control on the magnet optics. The procedure used during the experimental campaign and the most relevant results are reported here.

UV Photodissociation Action Spectroscopy of Haloanilinium Ions in a Linear Quadrupole Ion Trap Mass Spectrometer

NASA Astrophysics Data System (ADS)

Hansen, Christopher S.; Kirk, Benjamin B.; Blanksby, Stephen J.; O'Hair, Richard. A. J.; Trevitt, Adam J.

2013-06-01

UV-vis photodissociation action spectroscopy is becoming increasingly prevalent because of advances in, and commercial availability of, ion trapping technologies and tunable laser sources. This study outlines in detail an instrumental arrangement, combining a commercial ion-trap mass spectrometer and tunable nanosecond pulsed laser source, for performing fully automated photodissociation action spectroscopy on gas-phase ions. The components of the instrumentation are outlined, including the optical and electronic interfacing, in addition to the control software for automating the experiment and performing online analysis of the spectra. To demonstrate the utility of this ensemble, the photodissociation action spectra of 4-chloroanilinium, 4-bromoanilinium, and 4-iodoanilinium cations are presented and discussed. Multiple photoproducts are detected in each case and the photoproduct yields are followed as a function of laser wavelength. It is shown that the wavelength-dependent partitioning of the halide loss, H loss, and NH3 loss channels can be broadly rationalized in terms of the relative carbon-halide bond dissociation energies and processes of energy redistribution. The photodissociation action spectrum of (phenyl)Ag2 + is compared with a literature spectrum as a further benchmark.

Comparison of Data Acquisition Strategies on Quadrupole Ion Trap Instrumentation for Shotgun Proteomics

PubMed Central

Canterbury, Jesse D.; Merrihew, Gennifer E.; Goodlett, David R.; MacCoss, Michael J.; Shaffer, Scott A.

2015-01-01

A common strategy in mass spectrometry analyses of complex protein mixtures is to digest the proteins to peptides, separate the peptides by microcapillary liquid chromatography and collect tandem mass spectra (MS/MS) on the eluting, complex peptide mixtures, a process commonly termed “shotgun proteomics”. For years, the most common way of data collection was via data-dependent acquisition (DDA), a process driven by an automated instrument control routine that directs MS/MS acquisition from the highest abundant signals to the lowest, a process often leaving lower abundant signals unanalyzed and therefore unidentified in the experiment. Advances in both instrumentation duty cycle and sensitivity allow DDA to probe to lower peptide abundance and therefore enable mapping proteomes to a more significant depth. An alternative to acquiring data by DDA is by data-independent acquisition (DIA), in which a specified range in m/z is fragmented without regard to prioritization of a precursor ion or its relative abundance in the mass spectrum. As a consequence, DIA acquisition potentially offers more comprehensive analysis of peptides than DDA and in principle can yield tandem mass spectra of all ionized molecules following their conversion to the gas-phase. In this work, we evaluate both DDA and DIA on three different linear ion trap instruments: an LTQ, an LTQ modified in-house with an electrodynamic ion funnel, and an LTQ-Velos. These instruments were chosen as they are representative of both older (LTQ) and newer (LTQ-Velos) ion trap designs i.e., linear ion trap and dual ion traps, respectively, and allow direct comparison of peptide identification using both DDA and DIA analysis. Further, as the LTQ-Velos has an improved “S-lens” ion guide in the high-pressure region to improve ion flux, we found it logical to determine if the former LTQ model could be leveraged by improving sensitivity by modifying with an electrodynamic ion guide of significantly different

Ion Trapping, Storage, and Ejection in Structures for Lossless Ion Manipulations

DOE PAGES

Zhang, Xinyu; Garimella, Sandilya V. B.; Prost, Spencer A.; ...

2015-06-14

Here, a structure for lossless ion manipulation (SLIM) module was constructed with electrode arrays patterned on a pair of parallel printed circuit boards (PCB) separated by 5 mm and utilized to investigate capabilities for ion trapping at 4 Torr. Positive ions were confined by application of RF having alternating phases on a series of inner rung electrodes and by positive DC potentials on surrounding guard electrodes on each PCB. An axial DC field was also introduced by stepwise varying the DC potential of the inner rung electrodes so as to control the ion transport and accumulation inside the ion trap.more » We show that ions could be trapped and accumulated with 100% efficiency, stored for at least 5 hours with no losses, and could be rapidly ejected from the SLIM trap.« less

Simultaneous identification and quantification of tetrodotoxin in fresh pufferfish and pufferfish-based products using immunoaffinity columns and liquid chromatography/quadrupole-linear ion trap mass spectrometry

NASA Astrophysics Data System (ADS)

Guo, Mengmeng; Wu, Haiyan; Jiang, Tao; Tan, Zhijun; Zhao, Chunxia; Zheng, Guanchao; Li, Zhaoxin; Zhai, Yuxiu

2017-07-01

In this study, we established a comprehensive method for simultaneous identification and quantification of tetrodotoxin (TTX) in fresh pufferfish tissues and pufferfish-based products using liquid chromatography/quadrupole-linear ion trap mass spectrometry (LC-QqLIT-MS). TTX was extracted by 1% acetic acid-methanol, and most of the lipids were then removed by freezing lipid precipitation, followed by purification and concentration using immunoaffinity columns (IACs). Matrix effects were substantially reduced due to the high specificity of the IACs, and thus, background interference was avoided. Quantitation analysis was therefore performed using an external calibration curve with standards prepared in mobile phase. The method was evaluated by fortifying samples at 1, 10, and 100 ng/g, respectively, and the recoveries ranged from 75.8%-107%, with a relative standard deviation of less than 15%. The TTX calibration curves were linear over the range of 1-1 000 μg/L, with a detection limit of 0.3 ng/g and a quantification limit of 1 ng/g. Using this method, samples can be further analyzed using an information-dependent acquisition (IDA) experiment, in the positive mode, from a single liquid chromatography-tandem mass spectrometry injection, which can provide an extra level of confirmation by matching the full product ion spectra acquired for a standard sample with those from an enhanced product ion (EPI) library. The scheduled multiple reaction monitoring method enabled TTX to be screened for, and TTX was positively identified using the IDA and EPI spectra. This method was successfully applied to analyze a total of 206 samples of fresh pufferfish tissues and pufferfish-based products. The results from this study show that the proposed method can be used to quantify and identify TTX in a single run with excellent sensitivity and reproducibility, and is suitable for the analysis of complex matrix pufferfish samples.

Study of rat hypothalamic proteome by HPLC/ESI ion trap and HPLC/ESI-Q-TOF MS.

PubMed

Iqbal, Javed; Li, Wang; Ullah, Kaleem; Hasan, Murtaza; Linna, Guo; Awan, Umer; Zhang, Yongqian; Batool, Sajida; Qing, Hong; Deng, Yulin

2013-08-01

The proteomic profile of hypothalamus, a key organ of CNS, is explored here by employing two widely used MS techniques, i.e. HPLC/ESI-ion trap and HPLC/ESI-quadrupole-TOF MS. Strong cation exchange is used for the fractionation of peptides and protein search engine MASCOT is employed for data query. One hundred and thirty six proteins with 10 973 peptides were identified by HPLC/ESI-ion trap MS, while 140 proteins with 32 183 peptides were characterized by HPLC/ESI-quadrupole-TOF MS. Among the total 198 proteins identified in both experiments, 78 proteins were common in both sets of conditions. The rest of the 120 proteins were identified distinctly in both MS strategies, i.e. 58 unique proteins were found using the quadrupole-TOF while 62 were found with the HPLC/ESI-ion trap. Moreover, these proteins were classified into groups based on their functions performed in the body. Results presented here identified some important signal and cellular defense proteins inevitable for survival in stressed conditions. Additionally, it is also shown that any single MS strategy is not reliable for good results due to loss of data depending on sensitivity of the instrument used. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

HESQ (Helical Electrostatic Quadrupole), a low energy beam transport for the SSC linac

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

Raparia, D.

A Helical Electrostatic Quadrupole (HESQ) is an option for the low energy beam transport (LEBT) of the SSC linac to transport and match a 35 keV H{sup {minus}} beam from a circular symmetric Magnetron ion source to a 428 MHz RFQ. Being an electrostatic focusing lens, the HESQ avoids neutralization of the H{sup {minus}} beam due to the background gas. The HESQ lenses provide stronger first-order focusing in contrast to weak second-order focusing of einzel lenses and is also stronger than alternating gradient focusing. In this paper, we will present a design and results of a PIC code simulation withmore » space charge.« less

Biomass-derived carbonaceous positive electrodes for sustainable lithium-ion storage

NASA Astrophysics Data System (ADS)

Liu, Tianyuan; Kavian, Reza; Chen, Zhongming; Cruz, Samuel S.; Noda, Suguru; Lee, Seung Woo

2016-02-01

Biomass derived carbon materials have been widely used as electrode materials; however, in most cases, only electrical double layer capacitance (EDLC) is utilized and therefore, only low energy density can be achieved. Herein, we report on redox-active carbon spheres that can be simply synthesized from earth-abundant glucose via a hydrothermal process. These carbon spheres exhibit a specific capacity of ~210 mA h gCS-1, with high redox potentials in the voltage range of 2.2-3.7 V vs. Li, when used as positive electrode in lithium cells. Free-standing, flexible composite films consisting of the carbon spheres and few-walled carbon nanotubes deliver high specific capacities up to ~155 mA h gelectrode-1 with no obvious capacity fading up to 10 000 cycles, proposing to be promising positive electrodes for lithium-ion batteries or capacitors. Furthermore, considering that the carbon spheres were obtained in an aqueous glucose solution and no toxic or hazardous reagents were used, this process opens up a green and sustainable method for designing high performance, environmentally-friendly energy storage devices.Biomass derived carbon materials have been widely used as electrode materials; however, in most cases, only electrical double layer capacitance (EDLC) is utilized and therefore, only low energy density can be achieved. Herein, we report on redox-active carbon spheres that can be simply synthesized from earth-abundant glucose via a hydrothermal process. These carbon spheres exhibit a specific capacity of ~210 mA h gCS-1, with high redox potentials in the voltage range of 2.2-3.7 V vs. Li, when used as positive electrode in lithium cells. Free-standing, flexible composite films consisting of the carbon spheres and few-walled carbon nanotubes deliver high specific capacities up to ~155 mA h gelectrode-1 with no obvious capacity fading up to 10 000 cycles, proposing to be promising positive electrodes for lithium-ion batteries or capacitors. Furthermore, considering

Multipurpose Dissociation Cell for Enhanced ETD of Intact Protein Species

PubMed Central

Rose, Christopher M.; Russell, Jason D.; Ledvina, Aaron R.; McAlister, Graeme C.; Westphall, Michael S.; Griep-Raming, Jens; Schwartz, Jae C.; Coon, Joshua J.; Syka, John E.P.

2013-01-01

We describe and characterize an improved implementation of ETD on a modified hybrid linear ion trap-Orbitrap instrument. Instead of performing ETD in the mass-analyzing quadrupole linear ion trap (A-QLT), the instrument collision cell was modified to enable ETD. We partitioned the collision cell into a multi-section RF ion storage and transfer device to enable injection and simultaneous separate storage of precursor and reagent ions. Application of a secondary (axial) confinement voltage to the cell end lens electrodes enables charge-sign independent trapping for ion-ion reactions. The approximately two-fold higher quadrupole field frequency of this cell relative to that of the A-QLT, enables higher reagent ion densities and correspondingly faster ETD reactions, and, with the collision cell’s longer axial dimensions, larger populations of precursor ions may be reacted. The higher ion capacity of the collision cell permits the accumulation and reaction of multiple full loads of precursor ions from the A-QLT followed by FT Orbitrap m/z analysis of the ETD product ions. This extends the intra-scan dynamic range by increasing the maximum number of product ions in a single MS/MS event. For analyses of large peptide/small protein precursor cations, this reduces or eliminates the need for spectral averaging to achieve acceptable ETD product ion signal-to-noise levels. Using larger ion populations, we demonstrate improvements in protein sequence coverage and aggregate protein identifications in LC-MS/MS analysis of intact protein species as compared to the standard ETD implementation. PMID:23609185

Nanojets, Electrospray, and Ion Field Evaporation: Molecular Dynamics Simulations and Laboratory Experiments

DTIC Science & Technology

2008-07-22

electron- impact ionization source. The intensities of fragmented ions of FC-43 were measured for all investigated quadrupole transmission energies ...to the Taylor cone. This finding is consistent with the experimental energy distributions of the solvated ions which demonstrate that indeed most...case of salt solutions the concentration is low. The threshold value E\\ derives from the energy to overcome the barrier associated with the

Dynamical quadrupole structure factor of frustrated ferromagnetic chain

NASA Astrophysics Data System (ADS)

Onishi, Hiroaki

2018-05-01

We investigate the dynamical quadrupole structure factor of a spin-1/2 J1-J2 Heisenberg chain with competing ferromagnetic J1 and antiferromagnetic J2 in a magnetic field by exploiting density-matrix renormalization group techniques. In a field-induced spin nematic regime, we observe gapless excitations at q = π according to quasi-long-range antiferro-quadrupole correlations. The gapless excitation mode has a quadratic form at the saturation, while it changes into a linear dispersion as the magnetization decreases.

A study of GeV proton microprobe lens system designs with normal magnetic quadrupole

NASA Astrophysics Data System (ADS)

Dou, Yanxin; Jamieson, David N.; Liu, Jianli; Li, Liyi

2017-12-01

High energy proton irradiation has many applications to the study of radiation effects in semiconductor devices, biological tissues, proton tomography and space science. Many applications could be extended and enhanced by use of a high energy proton microprobe. However the design of a GeV proton microprobe must address significant challenges including beam collimation that minimizes ion scattering and the probe forming lens system for ions of high rigidity. Here we address the probe forming lens system design subject to several practical constraints including the use of non-superconducting normal magnetic quadrupole lenses, the ability to focus 1-5 GeV protons into 5 μm diameter microprobes and compatibility with the beam parameters of GeV proton accelerators. We show that 2, 3 and 4 lens systems of lenses with effective lengths up to 0.63 m can be employed for this purpose with a demagnification up to 58 and investigate the probe size limitations from beam brightness, lens aberrations and machining precision.

Lithium rich cathode/graphite anode combination for lithium ion cells with high tolerance to near zero volt storage

NASA Astrophysics Data System (ADS)

Crompton, K. R.; Staub, J. W.; Hladky, M. P.; Landi, B. J.

2017-03-01

Management of reversible lithium is an advantageous approach to design lithium ion cells that are tolerant to near zero volt (NZV) storage under fixed resistive load towards highly controllable, enhanced user-inactive safety. Presently, the first cycle loss from a high energy density Li-rich HE5050 cathode is used to provide excess reversible lithium when paired with an appropriately capacity matched mesocarbon microbead (MCMB) anode. Cells utilizing 1.2 M LiPF6 3:7 v/v ethylene carbonate:ethyl methyl carbonate electrolyte and a lithium reference were used for 3-electrode testing. After conditioning, a fixed resistive load was applied to 3-electrode cells for 72 or 168-h during which the anode potential and electrode asymptotic potential (EAP) remained less than the copper dissolution potential. After multiple storage cycles (room temperature or 40 °C), the NZV coulombic efficiency (cell reversibility) exceeded 97% and the discharge capacity retention was >98%. Conventional 2-electrode HE5050/MCMB pouch cells stored at NZV or open circuit for 3 days had nearly identical rate capability (up to 5C) and discharge performance stability (for 500 cycles under a 30% depth of discharge low-earth-orbit regime). Thus, lithium ion cells with appropriately capacity matched HE5050/MCMB electrodes have excellent tolerance to prolonged NZV storage, which can lead to enhanced user-inactive safety.

Metabolic profile of naringenin in the stomach and colon using liquid chromatography/electrospray ionization linear ion trap quadrupole-Orbitrap-mass spectrometry (LC-ESI-LTQ-Orbitrap-MS) and LC-ESI-MS/MS.

PubMed

Orrego-Lagarón, Naiara; Vallverdú-Queralt, Anna; Martínez-Huélamo, Miriam; Lamuela-Raventos, Rosa M; Escribano-Ferrer, Elvira

2016-02-20

Several biological activities (antioxidant, anti-inflammatory, anticarcinogenic) are attributed to naringenin (NAR)-a predominant flavonoid of citrus fruit and tomato-despite its low bioavailability after ingestion. NAR undergoes extensive metabolism when crossing the gastrointestinal tract, resulting in enteric, hepatic and microbial metabolites, some of them with recognized beneficial effects on human health. This study sought to provide new insights into the metabolism of NAR in regions of the gastrointestinal tract where it has been less studied: the stomach and colon. With this purpose, liquid chromatography coupled with an electrospray ionization hybrid linear ion trap quadrupole Orbitrap mass spectrometry technique (LC-ESI-LTQ-Orbitrap-MS) was used for an accurate identification of NAR metabolites, and liquid chromatography/electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) on a triple quadrupole was used for their identification and quantification. The combination of both analytical techniques provided a broader metabolic profile of NAR. As far as we know, this is the first in-depth metabolic profiling study of NAR in the stomach of mice. Three of the metabolites determined using the LC-LTQ-Orbitrap could not be identified by LC-ESI-MS/MS in stomach perfusion samples: apigenin, 3-(4-hydroxyphenyl) propionic acid and phloroglucinol. The number of colonic metabolites determined using the LTQ-Orbitrap-MS was more than twice the number identified by LC-ESI-MS/MS. Copyright © 2015 Elsevier B.V. All rights reserved.

Higher order parametric excitation modes for spaceborne quadrupole mass spectrometers

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

Gershman, D. J.; Block, B. P.; Rubin, M.

This paper describes a technique to significantly improve upon the mass peak shape and mass resolution of spaceborne quadrupole mass spectrometers (QMSs) through higher order auxiliary excitation of the quadrupole field. Using a novel multiresonant tank circuit, additional frequency components can be used to drive modulating voltages on the quadrupole rods in a practical manner, suitable for both improved commercial applications and spaceflight instruments. Auxiliary excitation at frequencies near twice that of the fundamental quadrupole RF frequency provides the advantages of previously studied parametric excitation techniques, but with the added benefit of increased sensed excitation amplitude dynamic range and themore » ability to operate voltage scan lines through the center of upper stability islands. Using a field programmable gate array, the amplitudes and frequencies of all QMS signals are digitally generated and managed, providing a robust and stable voltage control system. These techniques are experimentally verified through an interface with a commercial Pfeiffer QMG422 quadrupole rod system. When operating through the center of a stability island formed from higher order auxiliary excitation, approximately 50% and 400% improvements in 1% mass resolution and peak stability were measured, respectively, when compared with traditional QMS operation. Although tested with a circular rod system, the presented techniques have the potential to improve the performance of both circular and hyperbolic rod geometry QMS sensors.« less

Focused Heavy Ion Nuclear Microprobe facility at the University of North Texas

NASA Astrophysics Data System (ADS)

Guo, B. N.; Yang, C.; El Bouanani, M.; Duggan, J. L.; McDaniel, F. D.

1999-10-01

A Focused Heavy Ion Nuclear Microprobe facility has been constructed at the University of North Texas. The microprobe utilizes two separated Russian magnetic quadrupole quadruplets. The two identical magnetic quadrupole doublet lenses are separated by 2.61 meters. The lens system with ~ 80 times demagnification has the ability to focus proton, alpha particle, or heavier ions down to a spot size of ~ 1 μm. The microprobe components rest on a 7 meter steel beam support with vibration isolation. A computer provides control for the lens power supplies and also the parameters for a post-lens scanning coil to raster-scan the beam across the sample. Up to four detection channels can be used for simultaneous data acquisition under VME control. A RISC workstation is used to collect, display and analyze the data. The data is transferred via ethernet. A detailed description of the facility and data acquisition system along with preliminary testing results on TEM grids with Rutherford Backscattering Spectrometry and the Ion Beam Induced Charge Collection techniques will be presented.

The Rhic Azimuth Quadrupole:. "perfect Liquid" or Gluonic Radiation?

NASA Astrophysics Data System (ADS)

Trainor, Thomas A.

Large elliptic flow at RHIC seems to indicate that ideal hydrodynamics provides a good description of Au-Au collisions, at least at the maximum RHIC energy. The medium formed has been interpreted as a nearly perfect (low-viscosity) liquid, and connections have been made to gravitation through string theory. Recently, claimed observations of large flow fluctuations comparable to participant eccentricity fluctuations seem to confirm the ideal hydro scenario. However, determination of the azimuth quadrupole with 2D angular autocorrelations, which accurately distinguish "flow" (quadrupole) from "nonflow" (minijets), contradicts conventional interpretations. Centrality trends may depend only on the initial parton geometry, and methods used to isolate flow fluctuations are sensitive instead mainly to minijet correlations. The results presented in this paper suggest that the azimuth quadrupole may be a manifestation of gluonic multipole radiation.

Communication: On the isotope anomaly of nuclear quadrupole coupling in molecules

NASA Astrophysics Data System (ADS)

Filatov, Michael; Zou, Wenli; Cremer, Dieter

2012-10-01

The dependence of the nuclear quadrupole coupling constants (NQCC) on the interaction between electrons and a nucleus of finite size is theoretically analyzed. A deviation of the ratio of the NQCCs obtained from two different isotopomers of a molecule from the ratio of the corresponding bare nuclear electric quadrupole moments, known as quadrupole anomaly, is interpreted in terms of the logarithmic derivatives of the electric field gradient at the nuclear site with respect to the nuclear charge radius. Quantum chemical calculations based on a Dirac-exact relativistic methodology suggest that the effect of the changing size of the Au nucleus in different isotopomers can be observed for Au-containing molecules, for which the predicted quadrupole anomaly reaches values of the order of 0.1%. This is experimentally detectable and provides an insight into the charge distribution of non-spherical nuclei.

Control of a lithium-ion battery storage system for microgrid applications

NASA Astrophysics Data System (ADS)

Pegueroles-Queralt, Jordi; Bianchi, Fernando D.; Gomis-Bellmunt, Oriol

2014-12-01

The operation of future microgrids will require the use of energy storage systems employing power electronics converters with advanced power management capacities. This paper presents the control scheme for a medium power lithium-ion battery bidirectional DC/AC power converter intended for microgrid applications. The switching devices of a bidirectional DC converter are commanded by a single sliding mode control law, dynamically shaped by a linear voltage regulator in accordance with the battery management system. The sliding mode controller facilitates the implementation and design of the control law and simplifies the stability analysis over the entire operating range. Control parameters of the linear regulator are designed to minimize the impact of commutation noise in the DC-link voltage regulation. The effectiveness of the proposed control strategy is illustrated by experimental results.

An Rf Focused Interdigital Ion Accelerating Structure

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

Swenson, D.A.

2003-08-26

An Rf Focused Interdigital (RFI) ion accelerating structure will be described. It represents an effective combination of the Wideroee (or interdigital) linac structure, used for many low frequency, heavy ion applications, and the rf electric quadrupole focusing used in the RFQ and RFD linac structures. As in the RFD linac structure, rf focusing is introduced into the RFI linac structure by configuring the drift tubes as two independent pieces operating at different electrical potentials as determined by the rf fields of the linac structure. Each piece (or electrode) of the RFI drift tube supports two fingers pointed inwards towards themore » opposite end of the drift tube forming a four-finger geometry that produces an rf quadrupole field along the axis of the linac for focusing the beam. However, because of the differences in the rf field configuration along the axis, the scheme for introducing rf focusing into the interdigital linac structure is quite different from that adopted for the RFD linac structure. The RFI linac structure promises to have significant size, efficiency, performance, and cost advantages over existing linac structures for the acceleration of low energy ion beams of all masses (light to heavy). These advantages will be reviewed. A 'cold model' of this new linac structure has been fabricated and the results of rf cavity measurements on this cold model will be presented.« less

Heavy-ion injector based on an electron cyclotron ion source for the superconducting linear accelerator of the Rare Isotope Science Project.

PubMed

Hong, In-Seok; Kim, Yong-Hwan; Choi, Bong-Hyuk; Choi, Suk-Jin; Park, Bum-Sik; Jin, Hyun-Chang; Kim, Hye-Jin; Heo, Jeong-Il; Kim, Deok-Min; Jang, Ji-Ho

2016-02-01

The injector for the main driver linear accelerator of the Rare Isotope Science Project in Korea, has been developed to allow heavy ions up to uranium to be delivered to the inflight fragmentation system. The critical components of the injector are the superconducting electron cyclotron resonance (ECR) ion sources, the radio frequency quadrupole (RFQ), and matching systems for low and medium energy beams. We have built superconducting magnets for the ECR ion source, and a prototype with one segment of the RFQ structure, with the aim of developing a design that can satisfy our specifications, demonstrate stable operation, and prove results to compare the design simulation.

[Qualitative and quantitative analysis of amygdalin and its metabolite prunasin in plasma by ultra-high performance liquid chromatography-tandem quadrupole time of flight mass spectrometry and ultra-high performance liquid chromatography-tandem triple quadrupole mass spectrometry].

PubMed

Gao, Meng; Wang, Yuesheng; Wei, Huizhen; Ouyang, Hui; He, Mingzhen; Zeng, Lianqing; Shen, Fengyun; Guo, Qiang; Rao, Yi

2014-06-01

A method was developed for the determination of amygdalin and its metabolite prunasin in rat plasma after intragastric administration of Maxing shigan decoction. The analytes were identified by ultra-high performance liquid chromatography-tandem quadrupole time of flight mass spectrometry and quantitatively determined by ultra-high performance liquid chromatography-tandem triple quadrupole mass spectrometry. After purified by liquid-liquid extraction, the qualitative analysis of amygdalin and prunasin in the plasma sample was performed on a Shim-pack XR-ODS III HPLC column (75 mm x 2.0 mm, 1.6 microm), using acetonitrile-0.1% (v/v) formic acid aqueous solution. The detection was performed on a Triple TOF 5600 quadrupole time of flight mass spectrometer. The quantitative analysis of amygdalin and prunasin in the plasma sample was performed by separation on an Agilent C18 HPLC column (50 mm x 2.1 mm, 1.7 microm), using acetonitrile-0.1% (v/v) formic acid aqueous solution. The detection was performed on an AB Q-TRAP 4500 triple quadrupole mass spectrometer utilizing electrospray ionization (ESI) interface operated in negative ion mode and multiple-reaction monitoring (MRM) mode. The qualitative analysis results showed that amygdalin and its metabolite prunasin were detected in the plasma sample. The quantitative analysis results showed that the linear range of amygdalin was 1.05-4 200 ng/mL with the correlation coefficient of 0.999 0 and the linear range of prunasin was 1.25-2 490 ng/mL with the correlation coefficient of 0.997 0. The method had a good precision with the relative standard deviations (RSDs) lower than 9.20% and the overall recoveries varied from 82.33% to 95.25%. The limits of detection (LODs) of amygdalin and prunasin were 0.50 ng/mL. With good reproducibility, the method is simple, fast and effective for the qualitative and quantitative analysis of the amygdalin and prunasin in plasma sample of rats which were administered by Maxing shigan decoction.

Investigations of negative and positive cesium ion species

NASA Technical Reports Server (NTRS)

Chanin, L. M.

1978-01-01

A direct test is provided of the hypothesis of negative ion creation at the anode or collector of a diode operating under conditions simulating a cesium thermionic converter. The experimental technique involves using direct ion sampling through the collector electrode with mass analysis using a quadrupole mass analyzer. Similar measurements are undertaken on positive ions extracted through the emitter electrode. Measurements were made on a variety of gases including pure cesium, helium-cesium mixtures and cesium-hydrogen as well as cesium-xenon mixtures. The gas additive was used primarily to aid in understanding the negative ion formation processes. Measurements were conducted using emitter (cathode) temperatures up to about 1000 F. The major negative ion identified through the collector was Cs(-) with minor negative ion peaks tentatively identified as H(-), H2(-), H3(-), He(-) and a mass 66. Positive ions detected were believed to be Cs(+), Cs2(+) and Cs3(+).

Resonant neutral-particle emission in collisions of electrons with peptide ions in a storage ring.

PubMed

Tanabe, T; Noda, K; Saito, M; Lee, S; Ito, Y; Takagi, H

2003-05-16

Electron-biomolecular ion collisions were studied using an electrostatic storage ring with a merging beam technique for singly protonated peptides (angiotensin I, II, and III). A strong neutral-particle emission at around 6.5 eV was found in addition to neutrals from recombination at low energies. The rates of the high-energy peak greatly decreased with a slight decrease in the number of amino-acid residues from angiotensin I to III. These results suggest that some peptide bonds were selectively cleaved.

Permeability and storage ability of inorganic X12Y12 fullerenes for lithium atom and ion

NASA Astrophysics Data System (ADS)

Munsif, Sajida; Ayub, Khurshid

2018-04-01

In the current study, permeability and storage ability (exohedral and endohedral) of inorganic fullerenes X12Y12 (X = B, Al and Y = N, P) for lithium atom/ion (Li/Li+) is studied theoretically at M05-2X method. The translation of Li/Li+ through Al12P12 nano-cages is not only a kinetically feasible process but also has very high separation ratio in the favor of lithium atom over lithium ion. Adsorption/encapsulation energies of alkali metal on/in nano-cages show strong correlation with the size of the nano-cage. The percent changes in H-L gap for Li+-X12Y12 are about 1-25%, whereas the corresponding changes for Li-X12Y12 are 30-72%.

Electrostatic quadrupole focused particle accelerating assembly with laminar flow beam

DOEpatents

Maschke, A.W.

1984-04-16

A charged particle accelerating assembly provided with a predetermined ratio of parametric structural characteristics and with related operating voltages applied to each of its linearly spaced focusing and accelerating quadrupoles, thereby to maintain a particle beam traversing the electrostatic fields of the quadrupoles in the assembly in an essentially laminar flow through the assembly.

Electrostatic quadrupole focused particle accelerating assembly with laminar flow beam

DOEpatents

Maschke, Alfred W.

1985-01-01

A charged particle accelerating assembly provided with a predetermined ratio of parametric structural characteristics and with related operating voltages applied to each of its linearly spaced focusing and accelerating quadrupoles, thereby to maintain a particle beam traversing the electrostatic fields of the quadrupoles in the assembly in an essentially laminar flow throughout the assembly.

Batteries and Energy Storage | Argonne National Laboratory

Science.gov Websites

-energy density lithium-ion batteries, while using our fundamental science capabilities to develop storage ), headquartered at Argonne National Laboratory, seeks to develop new technologies that move beyond lithium-ion Transportation SPOTLIGHT Batteries and Energy Storage Argonne's all- encompassing battery research program spans

Ion-ion charge exchange processes. Final technical report, June 1, 1977-May 31, 1978

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

Poe, R.T.; Choi, B.H.

Under the auspices of ERDA, we have undertaken a vigorous study of ion-ion charge exchange process pertinent to the storage-ring configurations in the heavy-ion fusion program. One particular reaction, singly charged helium charge exchange, was investigated in detail. General trend of the singly charged heavy-ion charge exchange reaction can be inferred from the present study. Some of our results were presented at Proceedings of the Heavy-Ion Fusion Workshop, Argonne National Laboratory (September 1978) as a paper entitled Charge Exchange Between Singly Ionized Helium Ions, by B.H. Choi, R.T. Poe and K.T. Tang. Here, we briefly describe our method and reportmore » the results.« less

Radiofrequency quadrupole-based beam cooler and buncher for the CANREB project at TRIUMF

NASA Astrophysics Data System (ADS)

Barquest, Brad; Pearson, Matt; Ames, Friedhelm; Dilling, Jens; Gwinner, Gerald; Kanungo, Rituparna; Kruecken, Reiner

2016-09-01

A new radiofrequency quadrupole-based ion beam cooler and buncher (BCB) and pulsed drift tube (PDT) have been designed as part of the CANREB project at TRIUMF. The BCB is designed to accept continuous 60 keV rare isotope beams from the ARIEL or ISAC production targets and efficiently deliver low-emittance, bunched beams of up to 107 ions per bunch to an electron beam ion source (EBIS) to charge-breed the bunch for post-acceleration. The PDT will adjust the energy of the bunched beam from 60 keV to 10-14 keV for injection into the EBIS. The injection energy is determined by the acceptance of the post-accelerating RFQ. The design of the BCB is nearing completion, and fabrication and assembly effort will proceed shortly. In addition, a PDT prototype is under development to test that the design concept satisfies the voltage and switching time requirements. Design features of the BCB and PDT will be discussed, and an update on BCB assembly and PDT testing progress will be presented. CANREB is funded by CFI, NSRIT, Manitoba Research and Innovation Fund, AAPS, Saint Mary's U, U of Manitoba and TRIUMF. TRIUMF receives federal funding via a contribution agreement with the National Research Council of Canada.

Non-target screening of Allura Red AC photodegradation products in a beverage through ultra high performance liquid chromatography coupled with hybrid triple quadrupole/linear ion trap mass spectrometry.

PubMed

Gosetti, Fabio; Chiuminatto, Ugo; Mazzucco, Eleonora; Calabrese, Giorgio; Gennaro, Maria Carla; Marengo, Emilio

2013-01-15

The study deals with the identification of the degradation products formed by simulated sunlight photoirradiation in a commercial beverage that contains Allura Red AC dye. An UHPLC-MS/MS method, that makes use of hybrid triple quadrupole/linear ion trap, was developed. In the identification step the software tool information dependent acquisition (IDA) was used to automatically obtain information about the species present and to build a multiple reaction monitoring (MRM) method with the MS/MS fragmentation pattern of the species considered. The results indicate that the identified degradation products are formed from side-reactions and/or interactions among the dye and other ingredients present in the beverage (ascorbic acid, citric acid, sucrose, aromas, strawberry juice, and extract of chamomile flowers). The presence of aromatic amine or amide functionalities in the chemical structures proposed for the degradation products might suggest potential hazards to consumer health. Copyright © 2012 Elsevier Ltd. All rights reserved.

Loading of mass spectrometry ion trap with Th ions by laser ablation for nuclear frequency standard application.

PubMed

Borisyuk, Petr V; Derevyashkin, Sergey P; Khabarova, Ksenia Y; Kolachevsky, Nikolay N; Lebedinsky, Yury Y; Poteshin, Sergey S; Sysoev, Alexey A; Tkalya, Evgeny V; Tregubov, Dmitry O; Troyan, Viktor I; Vasiliev, Oleg S; Yakovlev, Valery P; Yudin, Valery I

2017-08-01

We describe an original multisectional quadrupole ion trap aimed to realize nuclear frequency standard based on the unique isomer transition in thorium nucleus. It is shown that the system effectively operates on Th + , Th 2+ and Th 3+ ions produced by laser ablation of metallic thorium-232 target. Laser intensity used for ablation is about 6 GW/cm 2 . Via applying a bias potential to every control voltage including the RF one, we are able not only to manipulate ions within the energy range as wide as 1-500 eV but to specially adjust trap potentials in order to work mainly with ions that belong to energy distribution maximum and therefore to effectively enhance the number of trapped ions. Measurement of energy distributions of 232 Th + , 232 Th 2+ , 232 Th 3+ ions obtained by laser ablation allows us to define optimal potential values for trapping process. Observed number of ions inside trap in dependence on trapping time is found to obey an unusually slow - logarithmic decay law that needs more careful study.

Controlling interlayer interactions in vanadium pentoxide-poly(ethylene oxide) nanocomposites for enhanced magnesium-ion charge transport and storage

NASA Astrophysics Data System (ADS)

Perera, Sanjaya D.; Archer, Randall B.; Damin, Craig A.; Mendoza-Cruz, Rubén; Rhodes, Christopher P.

2017-03-01

Rechargeable magnesium batteries provide the potential for lower cost and improved safety compared with lithium-ion batteries, however obtaining cathode materials with highly reversible Mg-ion capacities is hindered by the high polarizability of divalent Mg-ions and slow solid-state Mg-ion diffusion. We report that incorporating poly(ethylene oxide) (PEO) between the layers of hydrated vanadium pentoxide (V2O5) xerogels results in significantly improved reversible Mg-ion capacities. X-ray diffraction and high resolution transmission electron microscopy show that the interlayer spacing between V2O5 layers was increased by PEO incorporation. Vibrational spectroscopy supports that the polymer interacts with the V2O5 lattice. The V2O5-PEO nanocomposite exhibited a 5-fold enhancement in Mg-ion capacity, improved stability, and improved rate capabilities compared with V2O5 xerogels. The Mg-ion diffusion coefficient of the nanocomposite was increased compared with that of V2O5 xerogels which is attributed to enhanced Mg-ion mobility due to the shielding interaction of PEO with the V2O5 lattice. This study shows that beyond only interlayer spacing, the nature of interlayer interactions of Mg-ions with V2O5, PEO, and H2O are key factors that affect Mg-ion charge transport and storage in layered materials. The design of layered materials with controlled interlayer interactions provides a new approach to develop improved cathodes for magnesium batteries.

Outstanding Li-storage performance of LiFePO4@MWCNTs cathode material with 3D network structure for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Sun, Xiaodong; Zhang, Le

2018-05-01

In this work, the MWCNTs-decorated LiFePO4 microspheres (LiFePO4@MWCNTs) with a 3D network structure have been synthesized by a facile and efficient spray-drying approach followed by solid-state reaction in a reduction atmosphere. In the as-prepared composite, the MWCNTs around LiFePO4 nanoparticles can provide 3D conductive networks which greatly facilitate the transport of Li+-ion and electron during the electrochemical reaction. Compared to the pure LiFePO4 material, the LiFePO4@MWCNTs composite as cathode for lithium-ion batteries exhibits significantly improved Li-storage performance in terms of rate capability and cyclic stability. Therefore, we can speculate that the spray-drying approach is a promising route to prepare the high-performance electrode materials with 3D network structure for electrochemical energy storage.

Rubber-based carbon electrode materials derived from dumped tires for efficient sodium-ion storage.

PubMed

Wu, Zhen-Yue; Ma, Chao; Bai, Yu-Lin; Liu, Yu-Si; Wang, Shi-Feng; Wei, Xiao; Wang, Kai-Xue; Chen, Jie-Sheng

2018-04-03

The development of sustainable and low cost electrode materials for sodium-ion batteries has attracted considerable attention. In this work, a carbon composite material decorated with in situ generated ZnS nanoparticles has been prepared via a simple pyrolysis of the rubber powder from dumped tires. Upon being used as an anode material for sodium-ion batteries, the carbon composite shows a high reversible capacity and rate capability. A capacity as high as 267 mA h g-1 is still retained after 100 cycles at a current density of 50 mA g-1. The well dispersed ZnS nanoparticles in carbon significantly enhance the electrochemical performance. The carbon composites derived from the rubber powder are proposed as promising electrode materials for low-cost, large-scale energy storage devices. This work provides a new and effective method for the reuse of dumped tires, contributing to the recycling of valuable waste resources.

Advanced Na[Ni0.25Fe0.5Mn0.25]O2/C-Fe3O4 sodium-ion batteries using EMS electrolyte for energy storage.

PubMed

Oh, Seung-Min; Myung, Seung-Taek; Yoon, Chong Seung; Lu, Jun; Hassoun, Jusef; Scrosati, Bruno; Amine, Khalil; Sun, Yang-Kook

2014-03-12

While much research effort has been devoted to the development of advanced lithium-ion batteries for renewal energy storage applications, the sodium-ion battery is also of considerable interest because sodium is one of the most abundant elements in the Earth's crust. In this work, we report a sodium-ion battery based on a carbon-coated Fe3O4 anode, Na[Ni0.25Fe0.5Mn0.25]O2 layered cathode, and NaClO4 in fluoroethylene carbonate and ethyl methanesulfonate electrolyte. This unique battery system combines an intercalation cathode and a conversion anode, resulting in high capacity, high rate capability, thermal stability, and much improved cycle life. This performance suggests that our sodium-ion system is potentially promising power sources for promoting the substantial use of low-cost energy storage systems in the near future.

Education Highlights: Energy Storage

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

Santillan, Jose; Bareno, Javier

Argonne intern Jose Santillan from University of Minnesota worked with Argonne mentor Javier Bareno in studying lithium-ion battery separators using Fourier transform infrared (FTIR) Spectroscopy. This research will help scientists make lithium-ion batteries for energy storage last longer for less cost.

Ion Mobility Separation of Isomeric Carbohydrate Precursor Ions and Acquisition of their Independent Tandem Mass Spectra

PubMed Central

Zhu, Maolei; Bendiak, Brad; Clowers, Brian; Hill, Herbert H.

2010-01-01

The rapid separation of isomeric precursor ions of oligosaccharides prior to their analysis by MSn was demonstrated using an ambient pressure ion mobility spectrometer (IMS) interfaced with a quadrupole ion trap. Separations were not limited to specific types of isomers; representative isomers differing solely in the stereochemistry of sugars, in their anomeric configurations, and in their overall branching patterns and linkage positions could be resolved in the millisecond time frame. Physical separation of precursor ions permitted independent mass spectra of individual oligosaccharide isomers to be acquired to at least MS3, the number of stages of dissociation limited only practically by the abundance of specific product ions. IMS-MSn analysis was particularly valuable in the evaluation of isomeric oligosaccharides that yielded identical sets of product ions in MS/MS experiments, revealing pairs of isomers that would otherwise not be known to be present in a mixture if evaluated solely by MS dissociation methods alone. A practical example of IMS-MSn analysis of a set of isomers included within a single HPLC fraction of oligosaccharides released from bovine submaxillary mucin is described. PMID:19562326

Comprehensive characterization of ethoxyquin transformation products in fish feed by traveling-wave ion mobility spectrometry coupled to quadrupole time-of-flight mass spectrometry.

PubMed

Negreira, Noelia; Regueiro, Jorge; Valdersnes, Stig; Berntssen, Marc H G; Ørnsrud, Robin

2017-05-01

Feed additives are typically used in intensive farming production over long periods, and hence, they can accumulate in farmed animal tissues. Concerns regarding the use of ethoxyquin as an antioxidant feed additive, have recently arisen due to its potential conversion into a series of transformation products (TPs). The aim of this work was to characterize the TPs of ethoxyquin in fish feed by a novel approach based on the use of traveling-wave ion mobility spectrometry (TWIMS) coupled to high-resolution quadrupole time-of-flight mass spectrometry (QTOFMS). First, ethoxyquin was oxidized under controlled conditions and the generated TPs were added to a comprehensive database. Atlantic salmon feeds were then screened for ethoxyquin TPs using both targeted and untargeted approaches. Twenty-seven TPs were tentatively identified during the oxidation experiments, fifteen of them also being present in the feed samples. In addition, ten other potential TPs were detected in fish feed following the untargeted approach. Thirty-one of these TPs have been reported for the first time in this work through the oxidation experiments and the feed samples. Therefore, this study provides valuable information on the oxidative fate of ethoxyquin in feed, which can be used for future evaluations of potential risk related to this additive. Copyright © 2017 Elsevier B.V. All rights reserved.

High-pressure ion source combined with an in-axis ion trap mass spectrometer. 1. Instrumentation and applications

PubMed

Mathurin; Faye; Brunot; Tabet; Wells; Fuche

2000-10-15

A new combination of a dual EI/CI ion source with a quadrupole ion trap mass spectrometer has been realized in order to efficiently produce negative ions in the reaction cell. Analysis of volatile compounds was performed under negative ion chemical ionization (NICI) during a reaction period where selected reactant negative ions, previously produced in the external ion source, were allowed to interact with molecules, introduced by hyphenated techniques such as gas chromatography. The O2*-, CH3O-, and Cl- reactant ions were used in this study to ensure specific ion/molecule interactions such as proton transfer, nucleophilic displacement, or charge exchange processes, respectively leading to even-electron species, i.e., deprotonated [M - H]- molecules, diagnostic [M - R]- ions, or odd-electron M*- molecular species. The reaction orientation depends on the thermochemistry of reactions within kinetic controls. First analytical results are presented here for the trace-level detection of several contaminants under NICI/Cl- conditions. Phosphorus-containing compounds (malathion, ethyl parathion, and methyl parathion as representative for pesticides) and nitro-containing compounds (2,4,6-trinitrotoluene for explosive material) have been chosen in order to explore the analytical ability of this promising instrumental coupling.

Conceptional design of a heavy ion linac injector for HIRFL-CSRm

NASA Astrophysics Data System (ADS)

Zhang, Xiao-Hu; Yuan, You-Jin; Xia, Jia-Wen; Yin, Xue-Jun; Du, Heng; Li, Zhong-Shan

2014-10-01

A room temperature heavy ion linac has been proposed as a new injector of the main Cooler Storage Ring (CSRm) at the Heavy Ion Research Facility in Lanzhou (HIRFL), which is expected to improve the performance of HIRFL. The linac injector can supply heavy ions with a maximum mass to charge ratio of 7 and an injection kinetic energy of 7.272 MeV/u for CSRm; the pulsed beam intensity is 3 emA with the duty factor of 3%. Compared with the present cyclotron injector, the Sector Focusing Cyclotron (SFC), the beam current from linac can be improved by 10-100 times. As the pre-accelerator of the linac, the 108.48 MHz 4-rod Radio Frequency Quadrupole (RFQ) accelerates the ion beam from 4 keV/u to 300 keV/u, which achieves the transmission efficiency of 95.3% with a 3.07 m long vane. The phase advance has been taken into account in the analysis of the error tolerance, and parametric resonances have been carefully avoided by adjusting the structure parameters. Kombinierte Null Grad Struktur Interdigital H-mode Drift Tube Linacs (KONUS IH-DTLs), which follow the RFQ, accelerate ions up to the energy of 7.272 MeV/u for CSRm. The resonance frequency is 108.48 MHz for the first two cavities and 216.96 MHz for the last 5 Drift Tube Linacs (DTLs). The maximum accelerating gradient can reach 4.95 MV/m in a DTL section with the length of 17.066 m, and the total pulsed RF power is 2.8 MW. A new strategy, for the determination of resonance frequency, RFQ vane voltage and DTL effective accelerating voltage, is described in detail. The beam dynamics design of the linac will be presented in this paper.

Design and performance of an instrument for electron impact tandem mass spectrometry and action spectroscopy of mass/charge selected macromolecular ions stored in RF ion trap*

NASA Astrophysics Data System (ADS)

Ranković, Milos Lj.; Giuliani, Alexandre; Milosavljević, Aleksandar R.

2016-06-01

A new apparatus was designed, coupling an electron gun with a linear quadrupole ion trap mass spectrometer, to perform m/ z (mass over charge) selected ion activation by electron impact for tandem mass spectrometry and action spectroscopy. We present in detail electron tracing simulations of a 300 eV electron beam inside the ion trap, design of the mechanical parts, electron optics and electronic circuits used in the experiment. We also report examples of electron impact activation tandem mass spectra for Ubiquitin protein, Substance P and Melittin peptides, at incident electron energies in the range from 280 eV to 300 eV.

RF Stabilization for Storage of Antiprotons

NASA Technical Reports Server (NTRS)

Pearson, J. Boise; Lewis, Raymond A.

2005-01-01

Portable storage of antimatter is an important step in the experimental exploration of antimatter in propulsion applications. The High Performance Antiproton Trap (HiPAT) at NASA Marshall Space Flight Center is a Penning-Malmberg ion trap being developed to trap and store low energy antiprotons for a period of weeks. The antiprotons can then be transported for use in experiments. HiPAT is being developed and evaluated using normal matter, before an attempt is made to store and transport antiprotons. Stortd ions have inherent instabilities that limit the storage lifetime. RF stabilization at cyclotron resonance frequencies is demonstrated over a period of 6 days for normal matter ion clouds. A variety of particles have been stored, including protons, C+ ions, and H2+ ions. Cyclotron resonance frequencies are defined and experimental evidence presented to demonstrate excitation of cyclotron waves in the plasma for all three species of ions.

Application of High-Performance Liquid Chromatography Coupled with Linear Ion Trap Quadrupole Orbitrap Mass Spectrometry for Qualitative and Quantitative Assessment of Shejin-Liyan Granule Supplements.

PubMed

Gu, Jifeng; Wu, Weijun; Huang, Mengwei; Long, Fen; Liu, Xinhua; Zhu, Yizhun

2018-04-11

A method for high-performance liquid chromatography coupled with linear ion trap quadrupole Orbitrap high-resolution mass spectrometry (HPLC-LTQ-Orbitrap MS) was developed and validated for the qualitative and quantitative assessment of Shejin-liyan Granule. According to the fragmentation mechanism and high-resolution MS data, 54 compounds, including fourteen isoflavones, eleven ligands, eight flavonoids, six physalins, six organic acids, four triterpenoid saponins, two xanthones, two alkaloids, and one licorice coumarin, were identified or tentatively characterized. In addition, ten of the representative compounds (matrine, galuteolin, tectoridin, iridin, arctiin, tectorigenin, glycyrrhizic acid, irigenin, arctigenin, and irisflorentin) were quantified using the validated HPLC-LTQ-Orbitrap MS method. The method validation showed a good linearity with coefficients of determination (r²) above 0.9914 for all analytes. The accuracy of the intra- and inter-day variation of the investigated compounds was 95.0-105.0%, and the precision values were less than 4.89%. The mean recoveries and reproducibilities of each analyte were 95.1-104.8%, with relative standard deviations below 4.91%. The method successfully quantified the ten compounds in Shejin-liyan Granule, and the results show that the method is accurate, sensitive, and reliable.

Performance of a personal neutron dosemeter based on direct ion storage at workplace fields in the nuclear industry.

PubMed

Boschung, M; Fiechtner, A; Wernli, C

2007-01-01

In the framework of the EVIDOS project, funded by the EC, measurements were carried out using dosemeters, based on ionisation chambers with direct ion storage (DIS-N), at several workplace fields, namely, at a fuel processing plant, a boiling and a pressurised water reactor, and near transport and storage casks. The measurements and results obtained with the DIS-N in these workplaces, which are representative for the nuclear industry, are described in this study. Different dosemeter configurations of converter and shielding materials were considered. The results are compared with values for personal dose equivalent which were assessed within the EVIDOS project by other partners. The advantages and limitations of the DIS-N dosemeter are discussed.

Characterization of carbonyl by-products during Uniblu-A ozonation by liquid chromatography/hybrid quadrupole time-of-flight/mass spectrometry.

PubMed

Amorisco, A; Locaputo, V; Mascolo, G

2011-07-15

The structural elucidation of carbonyl-containing by-products arising from Uniblu-OH ozonation has been investigated by liquid chromatography/electrospray ionization tandem mass spectrometry (LC/ESI-MS/MS) employing a quadrupole time-of-flight mass spectrometer. The by-products were derivatized with 2,4-dinitrophenylhydrazine, allowing the formation of [M-H](-) ions of the derivatives in the electrospray source. Exact mass measurements of both the [M-H](-) ions and their product ions allowed the elemental formulae and related structures of ten by-products to be determined confidently. The main degradation pathway were decarboxylation followed by further oxidation. It is noteworthy that the experimental procedure employed allowed the identification of both nitrogen- and sulphur-containing carbonyl by-products during Uniblu-OH ozonation. This result is of environmental relevance for monitoring the balance of organic nitrogen and sulphur during the ozonation of organic pollutants. These atoms, in fact, do not undergo complete mineralization. Copyright © 2011 John Wiley & Sons, Ltd.

High areal capacity hybrid magnesium-lithium-ion battery with 99.9% Coulombic efficiency for large-scale energy storage.

PubMed

Yoo, Hyun Deog; Liang, Yanliang; Li, Yifei; Yao, Yan

2015-04-01

Hybrid magnesium-lithium-ion batteries (MLIBs) featuring dendrite-free deposition of Mg anode and Li-intercalation cathode are safe alternatives to Li-ion batteries for large-scale energy storage. Here we report for the first time the excellent stability of a high areal capacity MLIB cell and dendrite-free deposition behavior of Mg under high current density (2 mA cm(-2)). The hybrid cell showed no capacity loss for 100 cycles with Coulombic efficiency as high as 99.9%, whereas the control cell with a Li-metal anode only retained 30% of its original capacity with Coulombic efficiency well below 90%. The use of TiS2 as a cathode enabled the highest specific capacity and one of the best rate performances among reported MLIBs. Postmortem analysis of the cycled cells revealed dendrite-free Mg deposition on a Mg anode surface, while mossy Li dendrites were observed covering the Li surface and penetrated into separators in the Li cell. The energy density of a MLIB could be further improved by developing electrolytes with higher salt concentration and wider electrochemical window, leading to new opportunities for its application in large-scale energy storage.

Generation of high energetic ions from hollow cathode discharge

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

Atta, M.; El Nadai, L.; Lie, Y.T.

1995-12-31

High energetic beams of ions can be produced by using the dense and highly ionized plasma that is generated by the vacuum arc. Ian G. Brown (1993) described the general features and performance characteristics of the ion sources and their use for accelerator injection and ion implantation applications. Atta, at al. (1993) found that the ratio of ion density to electron density has been decreased beside the hollow cathode at different hole diameter due to increasing the ionization degree. Here we have evaluated the ion velocity distribution F(v) = S{Upsilon}(t)/V{sup 2}, where {Upsilon}(t) is the ion flux intensity, S ismore » the distance between the hollow cathode spot and the quadrupole maps spectrometer, and V is the ion velocity. The ion energy (E=mV{sup 2}/2, in is the mass of the ion), and the ion fraction due to the total number of ions for different ion species emitted from graphite and titanium hollow cathode have been determined.« less

Sodium storage mechanisms of bismuth in sodium ion batteries: An operando X-ray diffraction study

NASA Astrophysics Data System (ADS)

Gao, Hui; Ma, Wensheng; Yang, Wanfeng; Wang, Jiawei; Niu, Jiazheng; Luo, Fakui; Peng, Zhangquan; Zhang, Zhonghua

2018-03-01

Understanding the sodium (Na) chemistry is crucial for development of high-performance sodium ion batteries (SIBs). Nanostructured bismuth (Bi) has shown great potentials as an anode in SIBs, however, the Na storage mechanisms of Bi are still unclear. Herein, the operando X-ray diffraction (XRD) technique was utilized to probe the Na storage mechanisms of three Bi anodes (sputtered Bi film, nanoporous Bi and commercial Bi). Despite different morphologies and sizes, all the Bi anodes follow the same two-step reversible alloying/dealloying mechanisms (Bi ↔ NaBi ↔ Na3Bi) during the discharge/charge processes, associated with two voltage plateaus. As for the intercalation/deintercalation mechanism proposed for nanostructured Bi anodes in SIBs, we rationalize the reason why only the Bi phase is detected in the discharged/charged samples under ex-situ XRD conditions through addressing the stability issue of the Na-Bi system (NaBi and Na3Bi).

Investigations on the structure of the extracted ion beam from an electron cyclotron resonance ion source

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

Spaedtke, P.; Lang, R.; Maeder, J.

2012-02-15

Using improved beam diagnostic tools, the structure of an ion beam extracted from an electron cyclotron resonance ion source (ECRIS) becomes visible. Especially viewing targets to display the beam profile and pepper pot devices for emittance measurements turned out to be very useful. On the contrary, diagnostic tools integrating over one space coordinate like wire harps for profile measurements or slit-slit devices, respectively slit-grid devices to measure the emittance might be applicable for beam transport investigations in a quadrupole channel, but are not very meaningful for investigations regarding the given ECRIS symmetry. Here we try to reproduce the experimentally foundmore » structure on the ion beam by simulation. For the simulation, a certain model has to be used to reproduce the experimental results. The model is also described in this paper.« less

Application of high-performance liquid chromatography-tandem mass spectrometry with a quadrupole/linear ion trap instrument for the analysis of pesticide residues in olive oil.

PubMed

Hernando, M D; Ferrer, C; Ulaszewska, M; García-Reyes, J F; Molina-Díaz, A; Fernández-Alba, A R

2007-11-01

This article describes the development of an enhanced liquid chromatography-mass spectrometry (LC-MS) method for the analysis of pesticides in olive oil. One hundred pesticides belonging to different classes and that are currently used in agriculture have been included in this method. The LC-MS method was developed using a hybrid quadrupole/linear ion trap (QqQ(LIT)) analyzer. Key features of this technique are the rapid scan acquisition times, high specificity and high sensitivity it enables when the multiple reaction monitoring (MRM) mode or the linear ion-trap operational mode is employed. The application of 5 ms dwell times using a linearly accelerating (LINAC) high-pressure collision cell enabled the analysis of a high number of pesticides, with enough data points acquired for optimal peak definition in MRM operation mode and for satisfactory quantitative determinations to be made. The method quantifies over a linear dynamic range of LOQs (0.03-10 microg kg(-1)) up to 500 microg kg(-1). Matrix effects were evaluated by comparing the slopes of matrix-matched and solvent-based calibration curves. Weak suppression or enhancement of signals was observed (<15% for most-80-of the pesticides). A study to assess the identification criteria based on the MRM ratio was carried out by comparing the variations observed in standard vs matrix (in terms of coefficient of variation, CV%) and within the linear range of concentrations studied. The CV was lower than 15% when the response observed in solvent was compared to that in olive oil. The limit of detection was < or =10 microg kg(-1) for five of the selected pesticides, < or =5 microg kg(-1) for 14, and < or =1 microg kg(-1) for 81 pesticides. For pesticides where additional structural information was necessary for confirmatory purposes-in particular at low concentrations, since the second transition could not be detected-survey scans for enhanced product ion (EPI) and MS3 were developed.

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

PubMed

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

2017-02-07

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

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

PubMed Central

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

2017-01-01

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

Aharonov–Anandan quantum phases and Landau quantization associated with a magnetic quadrupole moment

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

Fonseca, I.C.; Bakke, K., E-mail: kbakke@fisica.ufpb.br

The arising of geometric quantum phases in the wave function of a moving particle possessing a magnetic quadrupole moment is investigated. It is shown that an Aharonov–Anandan quantum phase (Aharonov and Anandan, 1987) can be obtained in the quantum dynamics of a moving particle with a magnetic quadrupole moment. In particular, it is obtained as an analogue of the scalar Aharonov–Bohm effect for a neutral particle (Anandan, 1989). Besides, by confining the quantum particle to a hard-wall confining potential, the dependence of the energy levels on the geometric quantum phase is discussed and, as a consequence, persistent currents can arisemore » from this dependence. Finally, an analogue of the Landau quantization is discussed. -- Highlights: •Scalar Aharonov–Bohm effect for a particle possessing a magnetic quadrupole moment. •Aharonov–Anandan quantum phase for a particle with a magnetic quadrupole moment. •Dependence of the energy levels on the Aharonov–Anandan quantum phase. •Landau quantization associated with a particle possessing a magnetic quadrupole moment.« less

Development and Application of an MSALL-Based Approach for the Quantitative Analysis of Linear Polyethylene Glycols in Rat Plasma by Liquid Chromatography Triple-Quadrupole/Time-of-Flight Mass Spectrometry.

PubMed

Zhou, Xiaotong; Meng, Xiangjun; Cheng, Longmei; Su, Chong; Sun, Yantong; Sun, Lingxia; Tang, Zhaohui; Fawcett, John Paul; Yang, Yan; Gu, Jingkai

2017-05-16

Polyethylene glycols (PEGs) are synthetic polymers composed of repeating ethylene oxide subunits. They display excellent biocompatibility and are widely used as pharmaceutical excipients. To fully understand the biological fate of PEGs requires accurate and sensitive analytical methods for their quantitation. Application of conventional liquid chromatography-tandem mass spectrometry (LC-MS/MS) is difficult because PEGs have polydisperse molecular weights (MWs) and tend to produce multicharged ions in-source resulting in innumerable precursor ions. As a result, multiple reaction monitoring (MRM) fails to scan all ion pairs so that information on the fate of unselected ions is missed. This Article addresses this problem by application of liquid chromatography-triple-quadrupole/time-of-flight mass spectrometry (LC-Q-TOF MS) based on the MS ALL technique. This technique performs information-independent acquisition by allowing all PEG precursor ions to enter the collision cell (Q2). In-quadrupole collision-induced dissociation (CID) in Q2 then effectively generates several fragments from all PEGs due to the high collision energy (CE). A particular PEG product ion (m/z 133.08592) was found to be common to all linear PEGs and allowed their total quantitation in rat plasma with high sensitivity, excellent linearity and reproducibility. Assay validation showed the method was linear for all linear PEGs over the concentration range 0.05-5.0 μg/mL. The assay was successfully applied to the pharmacokinetic study in rat involving intravenous administration of linear PEG 600, PEG 4000, and PEG 20000. It is anticipated the method will have wide ranging applications and stimulate the development of assays for other pharmaceutical polymers in the future.

Performance optimisation of a new-generation orthogonal-acceleration quadrupole-time-of-flight mass spectrometer.

PubMed

Bristow, Tony; Constantine, Jill; Harrison, Mark; Cavoit, Fabien

2008-04-01

Orthogonal-acceleration quadrupole time-of-flight (oa-QTOF) mass spectrometers, employed for accurate mass measurement, have been commercially available for well over a decade. A limitation of the early instruments of this type was the narrow ion abundance range over which accurate mass measurements could be made with a high degree of certainty. Recently, a new generation of oa-QTOF mass spectrometers has been developed and these allow accurate mass measurements to be recorded over a much greater range of ion abundances. This development has resulted from new ion detection technology and improved electronic stability or by accurate control of the number of ions reaching the detector. In this report we describe the results from experiments performed to evaluate the mass measurement performance of the Bruker micrOTOF-Q, a member of the new-generation oa-QTOFs. The relationship between mass accuracy and ion abundance has been extensively evaluated and mass measurement accuracy remained stable (+/-1.5 m m/z units) over approximately 3-4 orders of magnitude of ion abundance. The second feature of the Bruker micrOTOF-Q that was evaluated was the SigmaFit function of the software. This isotope pattern-matching algorithm provides an exact numerical comparison of the theoretical and measured isotope patterns as an additional identification tool to accurate mass measurement. The smaller the value, the closer the match between theoretical and measured isotope patterns. This information is then employed to reduce the number of potential elemental formulae produced from the mass measurements. A relationship between the SigmaFit value and ion abundance has been established. The results from the study for both mass accuracy and SigmaFit were employed to define the performance criteria for the micrOTOF-Q. This provided increased confidence in the selection of elemental formulae resulting from accurate mass measurements.

Secondary Ion Mass Spectrometers (SIMS) for calcium isotope measurements as an application to biological samples

NASA Astrophysics Data System (ADS)

Craven, S. M.; Hoenigman, J. R.; Moddeman, W. E.

1981-11-01

The potential use of secondary ion mass spectroscopy (SIMS) to analyze biological samples for calcium isotopes is discussed. Comparison of UTI and Extranuclear based quadrupole systems is made on the basis of the analysis of CaO and calcium metal. The Extranuclear quadrupole based system is superior in resolution and sensitivity to the UTI system and is recommended. For determination of calcium isotopes to within an accuracy of a few percent a high resolution quadrupole, such as the Extranuclear, and signal averaging capability are required. Charge neutralization will be mandated for calcium oxide, calcium nitrate, or calcium oxalate. SIMS is not capable of the high precision and high accuracy results possible by thermal ionization methods, but where faster analysis is desirable with an accuracy of a few percent, SIMS is a viable alternative.

3D free-standing nitrogen-doped reduced graphene oxide aerogel as anode material for sodium ion batteries with enhanced sodium storage.

PubMed

Zhang, Jiao; Li, Chuanqi; Peng, Zhikun; Liu, Yushan; Zhang, Jianmin; Liu, Zhongyi; Li, Dan

2017-07-07

Sodium ion batteries have drawn extensive attentions for large-scale energy storage to replace lithium ion batteries primarily due to the natural abundance of sodium resource and low cost, but their energy density and electrochemical performance are hindered by the sluggish diffusion kinetics of sodium ion. Herein, free-standing nitrogen-doped graphene aerogel has been fabricated via hydrothermal reaction as the potential anode material for sodium ion batteries. The three dimensional porous network structure of the graphene aerogel provides sufficient interstitial space for sodium ion accommodation, allowing fast and reversible ion intercalation/de-intercalation. The nitrogen doping could introduce defects on the graphene sheets, making the feasible transport of large-sized sodium ion. Benefiting from the effective structure and nitrogen doping, the obtained material demonstrates high reversible capacities, good cycling performance (287.9 mA h g -1 after 200 cycles at a current density of 100 mA g -1 ), especially superior rate capability (151.9 mA h g -1 at a high current density of 5 A g -1 ).

A modified quadrupole mass spectrometer with custom RF link rods driver for remote operation

NASA Technical Reports Server (NTRS)

Tashbar, P. W.; Nisen, D. B.; Moore, W. W., Jr.

1973-01-01

A commercial quadrupole residual gas analyzer system has been upgraded for operation at extended cable lengths. Operation inside a vacuum chamber for the standard quadrupole nude head is limited to approximately 2 m from its externally located rf/dc generator because of the detuning of the rf oscillator circuits by the coaxial cable reactance. The advance of long distance remote operation inside a vacuum chamber for distances of 45 and 60 m was made possible without altering the quadrupole's rf/dc generator circuit by employing an rf link to drive the quadrupole rods. Applications of the system have been accomplished for in situ space simulation thermal/vacuum testing of sophisticated payloads.

Spectra of 42S1/2→32D5/2 Transitions of a Single Trapped 40Ca+ Ion

NASA Astrophysics Data System (ADS)

Gong, Shi-Jie; Zhou, Fei; Wu, Hao-Yu; Wan, Wei; Chen, Liang; Feng, Mang

2015-01-01

We investigate the spectra of the electric quadrupole 42S1/2→32D5/2 transitions in a single 40Ca+ ion confined in a home-built linear trap. We probe the transitions with an ultra-narrow bandwidth laser at 729 nm. In a weak magnetic field, the quadrupole transition splits into ten components with the maximal line strength proportional to their squared Clebsch—Gordan factors. In a magnetic field of the order of Gauss, the observed equidistant sideband reflects the Zeeman substructure modulated by the quantized oscillation due to the secular motion in the trap. The temperature of the trapped ion can be determined by the envelope of the sideband spectrum. We also demonstrate the Rabi oscillation in a carrier transition after the ion has been Doppler cooled, which can be fitted by the model with the thermal state of motion.

Towards rewritable multilevel optical data storage in single nanocrystals.

PubMed

Riesen, Nicolas; Pan, Xuanzhao; Badek, Kate; Ruan, Yinlan; Monro, Tanya M; Zhao, Jiangbo; Ebendorff-Heidepriem, Heike; Riesen, Hans

2018-04-30

Novel approaches for digital data storage are imperative, as storage capacities are drastically being outpaced by the exponential growth in data generation. Optical data storage represents the most promising alternative to traditional magnetic and solid-state data storage. In this paper, a novel and energy efficient approach to optical data storage using rare-earth ion doped inorganic insulators is demonstrated. In particular, the nanocrystalline alkaline earth halide BaFCl:Sm is shown to provide great potential for multilevel optical data storage. Proof-of-concept demonstrations reveal for the first time that these phosphors could be used for rewritable, multilevel optical data storage on the physical dimensions of a single nanocrystal. Multilevel information storage is based on the very efficient and reversible conversion of Sm 3+ to Sm 2+ ions upon exposure to UV-C light. The stored information is then read-out using confocal optics by employing the photoluminescence of the Sm 2+ ions in the nanocrystals, with the signal strength depending on the UV-C fluence used during the write step. The latter serves as the mechanism for multilevel data storage in the individual nanocrystals, as demonstrated in this paper. This data storage platform has the potential to be extended to 2D and 3D memory for storage densities that could potentially approach petabyte/cm 3 levels.

Inductively coupled plasma mass spectrometry with a twin quadrupole instrument using laser ablation sample introduction and monodisperse dried microparticulate injection

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

Allen, Lloyd A.

1996-10-17

The focus of this dissertation is the use of a twin quadrupole inductively coupled plasma mass spectrometer (ICP-MS) for the simultaneous detection of two m/z values. The twin quadrupole ICP-MS is used with laser ablation sample introduction in both the steady state (10 Hz) and single pulse modes. Steady state signals are highly correlated and the majority of flicker noise cancels when the ratio is calculated. Using a copper sample, the isotope ratio 63Cu +/ 65Cu + is measured with a relative standard deviation (RSD) of 0.26%. Transient signals for single laser pulses are also obtained. Copper isotope ratio measurementsmore » for several laser pulses are measured with an RSD of 0.85%. Laser ablation (LA) is used with steel samples to assess the ability of the twin quadrupole ICP-MS to eliminate flicker noise of minor components of steel samples. Isotopic and internal standard ratios are measured in the first part of this work. The isotope ratio 52Cr +/ 53Cr + (Cr present at 1.31 %) can be measured with an RSD of 0.06 % to 0.1 %. For internal standard elements, RSDs improve from 1.9 % in the Cr + signal to 0.12% for the ratio of 51V + to 52Cr +. In the second part of this work, one mass spectrometer is scanned while the second channel measures an individual m/z value. When the ratio of these two signals is calculated, the peak shapes in the mass spectrum are improved significantly. Pulses of analyte and matrix ions from individual drops are measured simultaneously using the twin quadrupole ICP-MS with monodisperse dried microparticulate injection (MDMI). At modest Pb concentrations (500 ppm), a shoulder on the leading edge of the Li + signal becomes apparent. Space charge effects are consistent with the disturbances seen.« less

LARP Long Quadrupole: A "Long" Step Toward an LHC

ScienceCinema

Giorgio Ambrosio

2017-12-09

The beginning of the development of Nb3Sn magnets for particle accelerators goes back to the 1960’s. But only very recently has this development begun to face the challenges of fabricating Nb3Sn magnets which can meet the requirements of modern particle accelerators. LARP (the LHC Accelerator Research Program) is leading this effort focusing on long models of the Interaction Region quadrupoles for a possible luminosity upgrade of the Large Hadron Collider. A major milestone in this development is to test, by the end of 2009, 4m-long quadrupole models, which will be the first Nb3Sn accelerator-type magnets approaching the length of real accelerator magnets. The Long Quadrupoles (LQ) are “Proof-of-Principle” magnets which are to demonstrate that Nb3Sn technology is sufficiently mature for use in high energy particle accelerators. Their design is based on the LARP Technological Quadrupole (TQ) models, under development at FNAL and LBNL, which have design gradients higher than 200 T/m and an aperture of 90 mm. Several challenges must be addressed for the successful fabrication of long Nb3Sn coils and magnets. These challenges and the solutions adopted will be presented together with the main features of the LQ magnets. Several R&D lines are participating to this effort and their contributions will be also presented.

Charge breeding simulations for radioactive ion beam production

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

Variale, V.; Raino, A. C.; Clauser, T.

2012-02-15

The charge breeding technique is used for radioactive ion beam (RIB) production in order of optimizing the re-acceleration of the radioactive element ions produced by a primary beam in a thick target. Charge breeding is achieved by means of a device capable of increasing the ion charge state from 1+ to a desired value n+. In order to get high intensity RIB, experiments with charge breeding of very high efficiency could be required. To reach this goal, the charge breeding simulation could help to optimize the high charge state production efficiency by finding more proper parameters for the radioactive 1+more » ions. In this paper a device based on an electron beam ion source (EBIS) is considered. In order to study that problem, a code already developed for studying the ion selective containment in an EBIS with RF quadrupoles, BRICTEST, has been modified to simulate the ion charge state breeding rate for different 1+ ion injection conditions. Particularly, the charge breeding simulations for an EBIS with a hollow electron beam have been studied.« less

Ellipsoidal universe can solve the cosmic microwave background quadrupole problem.

PubMed

Campanelli, L; Cea, P; Tedesco, L

2006-09-29

The recent 3 yr Wilkinson Microwave Anisotropy Probe data have confirmed the anomaly concerning the low quadrupole amplitude compared to the best-fit Lambda-cold dark matter prediction. We show that by allowing the large-scale spatial geometry of our universe to be plane symmetric with eccentricity at decoupling or order 10(-2), the quadrupole amplitude can be drastically reduced without affecting higher multipoles of the angular power spectrum of the temperature anisotropy.

A graphical approach to radio frequency quadrupole design

NASA Astrophysics Data System (ADS)

Turemen, G.; Unel, G.; Yasatekin, B.

2015-07-01

The design of a radio frequency quadrupole, an important section of all ion accelerators, and the calculation of its beam dynamics properties can be achieved using the existing computational tools. These programs, originally designed in 1980s, show effects of aging in their user interfaces and in their output. The authors believe there is room for improvement in both design techniques using a graphical approach and in the amount of analytical calculations before going into CPU burning finite element analysis techniques. Additionally an emphasis on the graphical method of controlling the evolution of the relevant parameters using the drag-to-change paradigm is bound to be beneficial to the designer. A computer code, named DEMIRCI, has been written in C++ to demonstrate these ideas. This tool has been used in the design of Turkish Atomic Energy Authority (TAEK)'s 1.5 MeV proton beamline at Saraykoy Nuclear Research and Training Center (SANAEM). DEMIRCI starts with a simple analytical model, calculates the RFQ behavior and produces 3D design files that can be fed to a milling machine. The paper discusses the experience gained during design process of SANAEM Project Prometheus (SPP) RFQ and underlines some of DEMIRCI's capabilities.

Observation of Excited Quadrupole-Bound States in Cold Anions

NASA Astrophysics Data System (ADS)

Zhu, Guo-Zhu; Liu, Yuan; Wang, Lai-Sheng

2017-07-01

We report the first observation of an excited quadrupole-bound state (QBS) in an anion. High-resolution photoelectron imaging of cryogenically cooled 4-cyanophenoxide (4 CP- ) anions yields an electron detachment threshold of 24 927 cm-1 . The photodetachment spectrum reveals a resonant transition 20 cm-1 below the detachment threshold, which is attributed to an excited QBS of 4 CP- because neutral 4CP has a large quadrupole moment with a negligible dipole moment. The QBS is confirmed by observation of seventeen above-threshold resonances due to autodetachment from vibrational levels of the QBS.

Electron capture dissociation in a branched radio-frequency ion trap.

PubMed

Baba, Takashi; Campbell, J Larry; Le Blanc, J C Yves; Hager, James W; Thomson, Bruce A

2015-01-06

We have developed a high-throughput electron capture dissociation (ECD) device coupled to a quadrupole time-of-flight mass spectrometer using novel branched radio frequency ion trap architecture. With this device, a low-energy electron beam can be injected orthogonally into the analytical ion beam with independent control of both the ion and electron beams. While ions and electrons can interact in a "flow-through" mode, we observed a large enhancement in ECD efficiency by introducing a short ion trapping period at the region of ion and electron beam intersection. This simultaneous trapping mode still provides up to five ECD spectra per second while operating in an information-dependent acquisition workflow. Coupled to liquid chromatography (LC), this LC-ECD workflow provides good sequence coverage for both trypsin and Lys C digests of bovine serum albumin, providing ECD spectra for doubly charged precursor ions with very good efficiency.

Alkali-Metal-Ion-Functionalized Graphene Oxide as a Superior Anode Material for Sodium-Ion Batteries.

PubMed

Wan, Fang; Li, Yu-Han; Liu, Dai-Huo; Guo, Jin-Zhi; Sun, Hai-Zhu; Zhang, Jing-Ping; Wu, Xing-Long

2016-06-06

Although graphene oxide (GO) has large interlayer spacing, it is still inappropriate to use it as an anode for sodium-ion batteries (SIBs) because of the existence of H-bonding between the layers and ultralow electrical conductivity which impedes the Na(+) and e(-) transformation. To solve these issues, chemical, thermal, and electrochemical procedures are traditionally employed to reduce GO nanosheets. However, these strategies are still unscalable, consume high amounts of energy, and are expensive for practical application. Here, for the first time, we describe the superior Na storage of unreduced GO by a simple and scalable alkali-metal-ion (Li(+) , Na(+) , K(+) )-functionalized process. The various alkali metals ions, connecting with the oxygen on GO, have played different effects on morphology, porosity, degree of disorder, and electrical conductivity, which are crucial for Na-storage capabilities. Electrochemical tests demonstrated that sodium-ion-functionalized GO (GNa) has shown outstanding Na-storage performance in terms of excellent rate capability and long-term cycle life (110 mAh g(-1) after 600 cycles at 1 A g(-1) ) owing to its high BET area, appropriate mesopore, high degree of disorder, and improved electrical conductivity. Theoretical calculations were performed using the generalized gradient approximation (GGA) to further study the Na-storage capabilities of functionalized GO. These calculations have indicated that the Na-O bond has the lowest binding energy, which is beneficial to insertion/extraction of the sodium ion, hence the GNa has shown the best Na-storage properties among all comparatives functionalized by other alkali metal ions. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Theory of electronic structures and nuclear quadrupole interactions in molecular solids and semiconductor surfaces

NASA Astrophysics Data System (ADS)

Pati, Ranjit

We have investigated, using the Hartree-Fock Roothaan variational procedure, the electronic structures and associated nuclear quadrupole interactions (NQI) for the molecular solids, RDX (C3H6N6O6),/ /beta- HMX(C4H8N8O8), Cocaine (C17H21NO4), Cocaine Hydrochloride (C17H21NO4HCl) and Heroin (C21H23NO5) and for the (111) surface of silicon with adsorbed radioactive 111In atom and negative cadmium ion containing the excited nucleus 111Cd/* resulting from electron capture by lllIn. Our investigations indicate that for the ring 14N NQI parameters in RDX and β-HMX there is very good agreement between theory and experiment. For the peripheral 14N nuclei in NO2 groups, while the calculated electronic structures do explain the much weaker quadrupole coupling constants for these nuclei relative to the ring 14N nuclei, there are significant differences between theory and experiment. The influence of intermolecular interactions between adjacent molecules in the solid is invoked as a possible source for these differences. For the controlled substances, Cocaine and Heroin, again very good agreement is obtained between theory and experiment. For Cocaine Hydrochloride theory is able to explain the much smaller observed 14N nuclear quadrupole resonance frequency as compared to pure Cocaine. However there are significant differences between theory and experiment for the 14N and 35Cl quadrupole resonance frequencies. The influence of intermolecular interactions is one of the factors suggested to explain the difference. For the silicon (111) surface, the observed 111Cd/* NQI parameters, with the cadmium nucleus assumed to be located at the same site as the 111In nucleus from which it is generated, can be successfully explained by theory with the indium atom located at the two distinct sites available with the DAS model for the 7 x 7 reconstructed (111) surface. Some quantitative differences still remain, one of the main factor suggested for their explanation being a need for a

Benchmarking Atomic Data for Astrophysics: Be-like Ions between B II and Ne VII

NASA Astrophysics Data System (ADS)

Wang, Kai; Chen, Zhan Bin; Zhang, Chun Yu; Si, Ran; Jönsson, Per; Hartman, Henrik; Gu, Ming Feng; Chen, Chong Yang; Yan, Jun

2018-02-01

Large-scale self-consistent multiconfiguration Dirac–Hartree–Fock and relativistic configuration interaction calculations are reported for the n≤slant 6 levels in Be-like ions from B II to Ne VII. Effects from electron correlation are taken into account by means of large expansions in terms of a basis of configuration state functions, and a complete and accurate data set of excitation energies; lifetimes; wavelengths; electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole line strengths; transition rates; and oscillator strengths for these levels is provided for each ion. Comparisons are made with available experimental and theoretical results. The uncertainty of excitation energies is assessed to be 0.01% on average, which makes it possible to find and rule out misidentifications and aid new line identifications involving high-lying levels in astrophysical spectra. The complete data set is also useful for modeling and diagnosing astrophysical plasmas.

Theory of the polarization of highly charged ions in storage rings: Production, preservation, observation and application to the search for a violation of the fundamental symmetries

NASA Astrophysics Data System (ADS)

Bondarevskaya, A.; Prozorov, A.; Labzowsky, L.; Plunien, G.; Liesen, D.; Bosch, F.

2011-10-01

Theoretical concepts for the production, preservation and control of polarized highly charged ion beams in storage rings are investigated. It is argued that hydrogen-like ions can be polarized efficiently by optical pumping of the Zeeman sublevels of ground state hyperfine levels and that the maximum achievable nuclear polarization exceeds 90%. In order to study the preservation of the polarization during the ion motion through the magnetic system of the ring, the concept of the instantaneous quantization axis is introduced. It is suggested that the employment of “Siberian snakes” may help to preserve the ion beam polarization in the ring. The control of the beam polarization can be achieved by different methods: by measuring the Stokes parameters for the emitted photons or by observing the angular dependence of the transition rates for polarized ions. The important motivation for the production of polarized ion beams is the possibility to observe parity nonconservation effects in the hyperfine-quenched transitions in helium-like highly charged ions, where these effects can reach an unprecedented high value for atomic physics. The possible observation of parity nonconservation effects connected with the nuclear anapole moment is also discussed. A method for the observation of the electric dipole moment of an electron in a storage ring with a polarized highly charged ion beam is proposed. This method allows, in principle, to improve the existing boundaries for the electric dipole moment of an electron. However, the requirements of the corresponding experiment are very stringent.

Fast analysis of doping agents in urine by ultra-high-pressure liquid chromatography-quadrupole time-of-flight mass spectrometry. II: Confirmatory analysis.

PubMed

Badoud, F; Grata, E; Perrenoud, L; Saugy, M; Rudaz, S; Veuthey, J-L

2010-06-18

For doping control, analyses of samples are generally achieved in two steps: a rapid screening and, in the case of a positive result, a confirmatory analysis. A two-step methodology based on ultra-high-pressure liquid chromatography coupled to a quadrupole time-of-flight mass spectrometry (UHPLC-QTOF-MS) was developed to screen and confirm 103 doping agents from various classes (e.g., beta-blockers, stimulants, diuretics, and narcotics). The screening method was presented in a previous article as part I (i.e., Fast analysis of doping agents in urine by ultra-high-pressure liquid chromatography-quadrupole time-of-flight mass spectrometry. Part I: screening analysis). For the confirmatory method, basic, neutral and acidic compounds were extracted by a dedicated solid-phase extraction (SPE) in a 96-well plate format and detected by MS in the tandem mode to obtain precursor and characteristic product ions. The mass accuracy and the elemental composition of precursor and product ions were used for compound identification. After validation including matrix effect determination, the method was considered reliable to confirm suspect results without ambiguity according to the positivity criteria established by the World Anti-Doping Agency (WADA). Moreover, an isocratic method was developed to separate ephedrine from its isomer pseudoephedrine and cathine from phenylpropanolamine in a single run, what allowed their direct quantification in urine. Copyright (c) 2010 Elsevier B.V. All rights reserved.

A liquid chromatography method with single quadrupole mass spectrometry for quantitative determination of indomethacin in maternal plasma and urine of pregnant patients

PubMed Central

Wang, Xiaoming; Vernikovskaya, Daria I.; Nanovskaya, Tatiana N.; Rytting, Erik; Hankins, Gary D.V.; Ahmed, Mahmoud S.

2013-01-01

A liquid chromatography with single quadrupole mass spectrometry method was developed for the quantitative determination of indomethacin in the maternal plasma and urine of pregnant patients under treatment. A deuterium-labeled isotope of indomethacin (d4-indomethacin) was used as an internal standard. The maternal plasma and urine samples were acidified with 1.0 MHCl then extracted with chloroform to achieve the extraction recovery range of 94% to 104% with variation less than 11%. Chromatographic separation was achieved by a Waters Symmetry C18 column with isocratic elution of 0.05% (v/v) formic acid aqueous solution and acetonitrile (47:53, v/v). An in-source fragmentation was applied on the single quadrupole mass spectrometer equipped with an electrospray ionization source at positive mode. The LC-ESI-MS quantification was performed in the selected ion monitoring mode targeting ions at m/z 139 for indomethacin and m/z 143 for its internal standard. The calibration curves were linear in the concentration ranges between 14.8 and 2.97×103 ng/mL for plasma samples and between 10.5 and 4.21×103 ng/mL for urine samples. The relative standard deviation of this method was less than 8% for intra- and inter-day assays, and the accuracy ranged between 90% and 108%. PMID:23474812

Interfacial Li-ion localization in hierarchical carbon anodes

DOE PAGES

McNutt, Nicholas W.; Rios, Orlando; Maroulas, Vasileios; ...

2016-10-24

An understanding of the nanoscale structure and energetics of carbon composites is critical for their applications in electric energy storage. Here, we study the properties of carbon anodes synthesized from low-cost renewable lignin biopolymers for use in energy storage applications such as Li-ion batteries. The anodes possess both nanoscale and mesoscale order, consisting of carbon nanocrystallites distributed within an amorphous carbon matrix. Molecular dynamics simulations of an experimentally validated model of the anode is used to elucidate the nature of Li-ion storage. We report the discovery of a novel mechanism of Li-ion storage, one in which Li+ is not intercalatedmore » between layers of carbon (as is the case in graphitic anodes), but rather is localized at the interface of crystalline carbon domains. In particular, the effects of Li-ion binding energy on the Li-Li, Li-H, and Li-C pair distribution functions are revealed, along with the effect on charge distribution. As a result, the atomic environments surrounding the Li-ions are grouped on the basis of ion energy and then convolved into archetypal structural motifs that reveal deep insight into the geometry of ion localization in disordered systems.« less

Dissociative recombination measurements of NH{sup +} using an ion storage ring

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

Novotný, O.; Savin, D. W.; Berg, M.

We have investigated dissociative recombination (DR) of NH{sup +} with electrons using a merged beams configuration at the TSR heavy-ion storage ring located at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany. We present our measured absolute merged-beams recombination rate coefficient for collision energies from 0 to 12 eV. From these data, we have extracted a cross section, which we have transformed to a plasma rate coefficient for the collisional plasma temperature range from T {sub pl} = 10 to 18,000 K. We show that the NH{sup +} DR rate coefficient data in current astrochemical models are underestimatedmore » by up to a factor of approximately nine. Our new data will result in predicted NH{sup +} abundances lower than those calculated by present models. This is in agreement with the sensitivity limits of all observations attempting to detect NH{sup +} in interstellar clouds.« less

Storage and Effective Migration of Li-Ion for Defected β-LiFePO4 Phase Nanocrystals.

PubMed

Guo, Hua; Song, Xiaohe; Zhuo, Zengqing; Hu, Jiangtao; Liu, Tongchao; Duan, Yandong; Zheng, Jiaxin; Chen, Zonghai; Yang, Wanli; Amine, Khalil; Pan, Feng

2016-01-13

Lithium iron phosphate, a widely used cathode material, crystallizes typically in olivine-type phase, α-LiFePO4 (αLFP). However, the new phase β-LiFePO4 (βLFP), which can be transformed from αLFP under high temperature and pressure, is originally almost electrochemically inactive with no capacity for Li-ion battery, because the Li-ions are stored in the tetrahedral [LiO4] with very high activation barrier for migration and the one-dimensional (1D) migration channels for Li-ion diffusion in αLFP disappear, while the Fe ions in the β-phase are oriented similar to the 1D arrangement instead. In this work, using experimental studies combined with density functional theory calculations, we demonstrate that βLFP can be activated with creation of effective paths of Li-ion migration by optimized disordering. Thus, the new phase of βLFP cathode achieved a capacity of 128 mAh g(-1) at a rate of 0.1 C (1C = 170 mA g(-1)) with extraordinary cycling performance that 94.5% of the initial capacity retains after 1000 cycles at 1 C. The activation mechanism can be attributed to that the induced disorder (such as FeLiLiFe antisite defects, crystal distortion, and amorphous domains) creates new lithium migration passages, which free the captive stored lithium atoms and facilitate their intercalation/deintercalation from the cathode. Such materials activated by disorder are promising candidate cathodes for lithium batteries, and the related mechanism of storage and effective migration of Li-ions also provides new clues for future design of disordered-electrode materials with high capacity and high energy density.

Proton-transfer reaction mass spectrometry (PTRMS) in combination with thermal desorption (TD) for sensitive off-line analysis of volatiles.

PubMed

Crespo, Elena; Devasena, Samudrala; Sikkens, Cor; Centeno, Raymund; Cristescu, Simona M; Harren, Frans J M

2012-04-30

When performing trace gas analysis, it is not always possible to bring the source of volatiles and the gas analyzer together. In these cases, volatile storage containers, such as thermal desorption (TD) tubes, can be used for off-line measurement. TD is routinely combined with gas chromatography/mass spectrometry (GC/MS), but so far not with proton-transfer reaction mass spectrometry (PTRMS), which has a faster response. A PTR-quadrupole-MS instrument and a PTR-ion-trap-MS instrument were separately coupled to a TD unit for off-line analysis of trace volatiles in air. Carbograph 1TD/Carbopack X sorbent tubes were filled with different concentrations of a trace gas mixture containing low molecular weight volatiles (32 g/mol up to 136 g/mol) and measured with the above-mentioned combinations. The carrier gas in the TD unit was changed from helium to nitrogen to be able to combine this instrument with the mass spectrometer. Good linearity and reproducibility with the amount of gas stored were obtained. The storage capacity over time (up to 14 days) showed larger variability (<11% for all compounds, except for acetone 27%). Several tubes were filled with breath of different persons, and the breath of a smoker showed increased levels of acetonitrile and benzene. The combination of the PTR ion-trap instrument with the TD unit was also investigated. Due to its higher sampling rate, the ion-trap system showed higher throughput capabilities than the quadrupole system. The combination of TD with PTRMS using both a quadrupole and an ion trap for off-line volatile analysis has been validated. TD tubes can be a robust and compact volatile storage method when the mass spectrometry and the sampling cannot be performed in the same place, for example in large screening studies. In addition, a higher measurement throughput than with GC/MS could be obtained. Copyright © 2012 John Wiley & Sons, Ltd.

Recent Developments in Microwave Ion Clocks

NASA Astrophysics Data System (ADS)

Prestage, John D.; Tjoelker, Robert L.; Maleki, Lute

We review the development of microwave-frequency standards based on trapped ions. Following two distinct paths, microwave ion clocks have evolved greatly in the last twenty years since the earliest Paul-trap-based units. Laser-cooled ion frequency standards reduce the second-order Doppler shift from ion micromotion and thermal secular motion achieving good signal-to-noise ratios via cycling transitions where as many as ~10^8 photons per second per ion may be scattered. Today, laser-cooled ion standards are based on linear Paul traps which hold ions near the node line of the trapping electric field, minimizing micromotion at the trapping-field frequency and the consequent second-order Doppler frequency shift. These quadrupole (radial) field traps tightly confine tens of ions to a crystalline single-line structure. As more ions are trapped, space charge forces some ions away from the node-line axis and the second-order Doppler effect grows larger, even at negligibly small secular temperatures. Buffer-gas-cooled clocks rely on large numbers of ions, typically ~10^7, optically pumped by a discharge lamp at a scattering rate of a few photons per second per ion. To reduce the second-order Doppler shift from space charge repulsion of ions from the trap node line, novel multipole ion traps are now being developed where ions are weakly bound with confining fields that are effectively zero through the trap interior and grow rapidly near the trap electrode ``walls''.

Use of liquid chromatography hybrid triple-quadrupole mass spectrometry for the detection of emodin metabolites in rat bile and urine.

PubMed

Wu, Songyan; Zhang, Yaqing; Zhang, Zunjian; Song, Rui

2017-10-01

Emodin is the representative form of rhubarb, which is widely used in traditional Chinese medicine for the treatment of purgative, anti-inflammatory, antioxidative and antiviral, etc. Previous reports demonstrated that emodin glucuronide was the major metabolite in plasma. Owing to the extensive conjugation reactions of polyphenols, the aim of this study was to identify the metabolites of emodin in rat bile and urine. Neutral loss and precursor ion scan methods of triple-quadrupole mass spectrometer revealed 13 conjugated metabolites in rat bile and 22 metabolites in rat urine, which included four phase I and 18 phase II metabolites. The major metabolites in rat biosamples were emodin glucuronoconjugates. Moreover, rhein monoglucuronide, chrysophanol monoglucuronide and rhein sulfate were proposed for the first time after oral administration of emodin. Overall, liquid chromatography hybrid triple-quadrupole mass spectrometry analysis leads to the discovery of several novel emodin metabolites in rat bile and urine and underscores that conjugated with glucuronic acid is the main metabolic pathway. Copyright © 2017 John Wiley & Sons, Ltd.

One-pot sonochemical synthesis of magnetite@reduced graphene oxide nanocomposite for high performance Li ion storage.

PubMed

Wu, Kaipeng; Liu, Diwei; Lu, Weiwei; Zhang, Kuibao

2018-07-01

In this research, we introduce a one-pot sonochemical method for the fabrication of magnetite@reduced graphene oxide (Fe 3 O 4 @rGO) nanocomposite as anode material for Li-ion batteries. Fe 3 O 4 @rGO is synthesized under ultrasonic irradiations by using iron (II) salt and GO as raw materials. An in-situ oxidation-reduction occurs between GO and Fe 2+ during the ultrasonic chemical reaction process. Fe 3 O 4 particles with the size of ∼20 nm are uniformly deposited on the surface of rGO nanosheets. The electrochemical activity of Fe 3 O 4 @rGO is systematically evaluated as an anode material in Li-ion battery. Li-ion cells using Fe 3 O 4 @rGO as electrode deliver high discharge and charge capacities of 1433.6 and 907.8 mAh g -1 in the initial cycle at 200 mA g -1 . Even performed at 500 and 5000 mA g -1 , it is able to deliver reversible capacities of 846.4 and 355.6 mAh g -1 , respectively, demonstrating outstanding Li-ion storage performance. This research presents a straightforward and efficient method for the fabrication of Fe 3 O 4 @rGO, which holds great potential in synthesis of other metal oxides on graphene sheets. Copyright © 2018 Elsevier B.V. All rights reserved.

Three-dimensional ordering of cold ion beams in a storage ring: A molecular-dynamics simulation study

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

Yuri, Yosuke, E-mail: yuri.yosuke@jaea.go.jp

Three-dimensional (3D) ordering of a charged-particle beams circulating in a storage ring is systematically studied with a molecular-dynamics simulation code. An ion beam can exhibit a 3D ordered configuration at ultralow temperature as a result of powerful 3D laser cooling. Various unique characteristics of the ordered beams, different from those of crystalline beams, are revealed in detail, such as the single-particle motion in the transverse and longitudinal directions, and the dependence of the tune depression and the Coulomb coupling constant on the operating points.

Secondary ion mass spectrometers (SIMS) for calcium isotope measurements as an application to biological samples

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

Craven, S.M.; Hoenigman, J.R.; Moddeman, W.E.

1981-11-20

The potential use of secondary ion mass spectroscopy (SIMS) to analyze biological samples for calcium isotopes is discussed. Comparison of UTI and Extranuclear based quadrupole systems is made on the basis of the analysis of CaO and calcium metal. The Extranuclear quadrupole based system is superior in resolution and sensitivity to the UTI system and is recommended. For determination of calcium isotopes to within an accuracy of a few percent a high resolution quadrupole, such as the Extranuclear, and signal averaging capability are required. Charge neutralization will be mandated for calcium oxide, calcium nitrate, or calcium oxalate. SIMS is notmore » capable of the high precision and high accuracy results possible by thermal ionization methods, but where faster analysis is desirable with an accuracy of a few percent, SIMS is a viable alternative.« less

Quadrupole Magnetic Sorting of Porcine Islets of Langerhans

PubMed Central

Shenkman, Rustin M.; Chalmers, Jeffrey J.; Hering, Bernhard J.; Kirchhof, Nicole

2009-01-01

Islet transplantation is emerging as a treatment option for selected patients with type 1 diabetes. Inconsistent isolation, purification, and recovery of large numbers of high-quality islets remain substantial impediments to progress in the field. Removing islets as soon as they are liberated from the pancreas during digestion and circumventing the need for density gradient purification is likely to result in substantially increased viable islet yields by minimizing exposure to proteolytic enzymes, reactive oxygen intermediates, and mechanical stress associated with centrifugation. This study capitalized on the hypervascularity of islets compared with acinar tissue to explore their preferential enrichment with magnetic beads to enable immediate separation in a magnetic field utilizing a quadrupole magnetic sorting. The results demonstrate that (1) preferential enrichment of porcine islets is achievable, but homogeneous bead distribution within the pancreas is difficult to achieve with current protocols; (2) greater than 70% of islets in the dissociated pancreatic tissue were recovered by quadrupole magnetic sorting, but their purity was low; and (3) infused islets purified by density gradients and subsequently passed through quadrupole magnetic sorting had similar potency as uninfused islets. These results demonstrate proof of concept and define the steps for implementation of this technology in pig and human islet isolation. PMID:19505179

Compact Microwave Mercury Ion Clock for Space Applications

NASA Technical Reports Server (NTRS)

Prestage, John D.; Tu, Meirong; Chung, Sang K.; MacNeal, Paul

2007-01-01

We review progress in developing a small Hg ion clock for space operation based on breadboard ion-clock physics package where Hg ions are shuttled between a quadrupole and a 16-pole rf trap. With this architecture we have demonstrated short-term stability approx.1-2x10(exp -13) at 1 second, averaging to 10-15 at 1 day. This development shows that H-maser quality stabilities can be produced in a small clock package, comparable in size to an ultra-stable quartz oscillator required or holding 1-2x10(exp -13) at 1 second. We have completed an ion clock physics package designed to withstand vibration of launch and are currently building a approx. 1 kg engineering model for test. We also discuss frequency steering software algorithms that simultaneously measure ion signal size and lamp light output, useful for long term operation and self-optimization of microwave power and return engineering data.

Graphene-based electrochemical energy conversion and storage: fuel cells, supercapacitors and lithium ion batteries.

PubMed

Hou, Junbo; Shao, Yuyan; Ellis, Michael W; Moore, Robert B; Yi, Baolian

2011-09-14

Graphene has attracted extensive research interest due to its strictly 2-dimensional (2D) structure, which results in its unique electronic, thermal, mechanical, and chemical properties and potential technical applications. These remarkable characteristics of graphene, along with the inherent benefits of a carbon material, make it a promising candidate for application in electrochemical energy devices. This article reviews the methods of graphene preparation, introduces the unique electrochemical behavior of graphene, and summarizes the recent research and development on graphene-based fuel cells, supercapacitors and lithium ion batteries. In addition, promising areas are identified for the future development of graphene-based materials in electrochemical energy conversion and storage systems. This journal is © the Owner Societies 2011

The exact calculation of quadrupole sources for some incompressible flows

NASA Technical Reports Server (NTRS)

Brentner, Kenneth S.

1988-01-01

This paper is concerned with the application of the acoustic analogy of Lighthill to the acoustic and aerodynamic problems associated with moving bodies. The Ffowcs Williams-Hawkings equation, which is an interpretation of the acoustic analogy for sound generation by moving bodies, manipulates the source terms into surface and volume sources. Quite often in practice the volume sources, or quadrupoles, are neglected for various reasons. Recently, Farassat, Long and others have attempted to use the FW-H equation with the quadrupole source and neglected to solve for the surface pressure on the body. The purpose of this paper is to examine the contribution of the quadrupole source to the acoustic pressure and body surface pressure for some problems for which the exact solution is known. The inviscid, incompressible, 2-D flow, calculated using the velocity potential, is used to calculate the individual contributions of the various surface and volume source terms in the FW-H equation. The relative importance of each of the sources is then assessed.

Compact High-Current Heavy-Ion Injector

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

Westenskow, G.A.; Grote, D.P.; Kwan, J.W.

2005-10-05

To provide a compact high-brightness heavy-ion beam source for Heavy Ion Fusion (HIF), we have been experimenting with merging multi-beamlets in an injector which uses an RF plasma source. An array of converging beamlets was used to produce a beam with the envelope radius, convergence, and ellipticity matched to an electrostatic quadrupole (ESQ) channel. Experimental results were in good quantitative agreement with simulation and have demonstrated the feasibility of this concept. The size of a driver-scale injector system using this approach will be several times smaller than one designed using traditional single large-aperture beams. The success of this experiment hasmore » possible significant economical and technical impacts on the architecture of HIF drivers.« less

Compact High-Current Heavy-Ion Injector

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

Westenskow, G A; Grote, D P; Kwan, J W

2006-04-13

To provide a compact high-brightness heavy-ion beam source for Heavy Ion Fusion (HIF), we have been experimenting with merging multi-beamlets in an injector which uses an RF plasma source. An array of converging beamlets was use to produce a beam with the envelope radius, convergence, and ellipticity matched to an electrostatic quadrupole (ESQ) channel. Experimental results were in good quantitative agreement with simulation and have demonstrated the feasibility of this concept. The size of a driver-scale injector system using this approach will be several times smaller than one designed using traditional single large-aperture beams. The success of this experiment hasmore » possible significant economical and technical impacts on the architecture of HIF drivers.« less

Ion, X-ray, UV and Neutron Microbeam Systems for Cell Irradiation.

PubMed

Bigelow, A W; Randers-Pehrson, G; Garty, G; Geard, C R; Xu, Y; Harken, A D; Johnson, G W; Brenner, D J

2010-08-08

The array of microbeam cell-irradiation systems, available to users at the Radiological Research Accelerator Facility (RARAF), Center for Radiological Research, Columbia University, is expanding. The HVE 5MV Singletron particle accelerator at the facility provides particles to two focused ion microbeam lines: the sub-micron microbeam II and the permanent magnetic microbeam (PMM). Both the electrostatic quadrupole lenses on the microbeam II system and the magnetic quadrupole lenses on the PMM system are arranged as compound lenses consisting of two quadrupole triplets with "Russian" symmetry. Also, the RARAF accelerator is a source for a proton-induced x-ray microbeam (undergoing testing) and is projected to supply protons to a neutron microbeam based on the (7)Li(p, n)(7)Be nuclear reaction (under development). Leveraging from the multiphoton microscope technology integrated within the microbeam II endstation, a UV microspot irradiator - based on multiphoton excitation - is available for facility users. Highlights from radiation-biology demonstrations on single living mammalian cells are included in this review of microbeam systems for cell irradiation at RARAF.

Multiple reaction monitoring-ion pair finder: a systematic approach to transform nontargeted mode to pseudotargeted mode for metabolomics study based on liquid chromatography-mass spectrometry.

PubMed

Luo, Ping; Dai, Weidong; Yin, Peiyuan; Zeng, Zhongda; Kong, Hongwei; Zhou, Lina; Wang, Xiaolin; Chen, Shili; Lu, Xin; Xu, Guowang

2015-01-01

Pseudotargeted metabolic profiling is a novel strategy combining the advantages of both targeted and untargeted methods. The strategy obtains metabolites and their product ions from quadrupole time-of-flight (Q-TOF) MS by information-dependent acquisition (IDA) and then picks targeted ion pairs and measures them on a triple-quadrupole MS by multiple reaction monitoring (MRM). The picking of ion pairs from thousands of candidates is the most time-consuming step of the pseudotargeted strategy. Herein, a systematic and automated approach and software (MRM-Ion Pair Finder) were developed to acquire characteristic MRM ion pairs by precursor ions alignment, MS(2) spectrum extraction and reduction, characteristic product ion selection, and ion fusion. To test the reliability of the approach, a mixture of 15 metabolite standards was first analyzed; the representative ion pairs were correctly picked out. Then, pooled serum samples were further studied, and the results were confirmed by the manual selection. Finally, a comparison with a commercial peak alignment software was performed, and a good characteristic ion coverage of metabolites was obtained. As a proof of concept, the proposed approach was applied to a metabolomics study of liver cancer; 854 metabolite ion pairs were defined in the positive ion mode from serum. Our approach provides a high throughput method which is reliable to acquire MRM ion pairs for pseudotargeted metabolomics with improved metabolite coverage and facilitate more reliable biomarkers discoveries.

Storage and Effective Migration of Li-Ion for Defected β-LiFePO 4 Phase Nanocrystals

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

Guo, Hua; Song, Xiaohe; Zhuo, Zengqing

2016-01-13

Lithium iron phosphate, a widely used cathode material, crystallizes typically in olivine-type phase, α-LiFePO4 (αLFP). However, the new phase β-LiFePO4 (βLFP), which can be transformed from αLFP under high temperature and pressure, is originally almost electrochemically inactive with no capacity for Li-ion battery, because the Li-ions are stored in the tetrahedral [LiO4] with very high activation barrier for migration and the one-dimensional (1D) migration channels for Li-ion diffusion in αLFP disappear, while the Fe ions in the β-phase are oriented similar to the 1D arrangement instead. In this work, using experimental studies combined with density functional theory calculations, we demonstratemore » that βLFP can be activated with creation of effective paths of Li-ion migration by optimized disordering. Thus, the new phase of βLFP cathode achieved a capacity of 128 mAh g–1 at a rate of 0.1 C (1C = 170 mA g–1) with extraordinary cycling performance that 94.5% of the initial capacity retains after 1000 cycles at 1 C. The activation mechanism can be attributed to that the induced disorder (such as FeLiLiFe antisite defects, crystal distortion, and amorphous domains) creates new lithium migration passages, which free the captive stored lithium atoms and facilitate their intercalation/deintercalation from the cathode. Such materials activated by disorder are promising candidate cathodes for lithium batteries, and the related mechanism of storage and effective migration of Li-ions also provides new clues for future design of disordered-electrode materials with high capacity and high energy density.« less

An Aqueous Ca-Ion Battery.

PubMed

Gheytani, Saman; Liang, Yanliang; Wu, Feilong; Jing, Yan; Dong, Hui; Rao, Karun K; Chi, Xiaowei; Fang, Fang; Yao, Yan

2017-12-01

Multivalent-ion batteries are emerging as low-cost, high energy density, and safe alternatives to Li-ion batteries but are challenged by slow cation diffusion in electrode materials due to the high polarization strength of Mg- and Al-ions. In contrast, Ca-ion has a low polarization strength similar to that of Li-ion, therefore a Ca-ion battery will share the advantages while avoiding the kinetics issues related to multivalent batteries. However, there is no battery known that utilizes the Ca-ion chemistry due to the limited success in Ca-ion storage materials. Here, a safe and low-cost aqueous Ca-ion battery based on a highly reversible polyimide anode and a high-potential open framework copper hexacyanoferrate cathode is demonstrated. The prototype cell shows a stable capacity and high efficiency at both high and low current rates, with an 88% capacity retention and an average 99% coloumbic efficiency after cycling at 10C for 1000 cycles. The Ca-ion storage mechanism for both electrodes as well as the origin of the fast kinetics have been investigated. Additional comparison with a Mg-ion cell with identical electrodes reveals clear kinetics advantages for the Ca-ion system, which is explained by the smaller ionic radii and more facile desolvation of hydrated Ca-ions.

Chemical (knight) shift distortions of quadrupole-split deuteron powder spectra in solids

NASA Astrophysics Data System (ADS)

Torgeson, D. R.; Schoenberger, R. J.; Barnes, R. G.

In strong magnetic fields (e.g., 8 Tesla) anisotropy of the shift tensor (chemical or Knight shift) can alter the spacings of the features of quadrupole-split deuteron spectra of polycrystalline samples. Analysis of powder spectra yields both correct quadrupole coupling and symmetry parameters and all the components of the shift tensor. Synthetic and experimental examples are given to illustrate such behavior.

High energy proton induced radiation damage of rare earth permanent magnet quadrupoles

NASA Astrophysics Data System (ADS)

Schanz, M.; Endres, M.; Löwe, K.; Lienig, T.; Deppert, O.; Lang, P. M.; Varentsov, D.; Hoffmann, D. H. H.; Gutfleisch, O.

2017-12-01

Permanent magnet quadrupoles (PMQs) are an alternative to common electromagnetic quadrupoles especially for fixed rigidity beam transport scenarios at particle accelerators. Using those magnets for experimental setups can result in certain scenarios, in which a PMQ itself may be exposed to a large amount of primary and secondary particles with a broad energy spectrum, interacting with the magnetic material and affecting its magnetic properties. One specific scenario is proton microscopy, where a proton beam traverses an object and a collimator in which a part of the beam is scattered and deflected into PMQs used as part of a diagnostic system. During the commissioning of the PRIOR (Proton Microscope for Facility for Antiproton and Ion Research) high energy proton microscope facility prototype at Gesellschaft für Schwerionenforschung in 2014, a significant reduction of the image quality was observed which was partially attributed to the demagnetization of the used PMQ lenses and the corresponding decrease of the field quality. In order to study this phenomenon, Monte Carlo simulations were carried out and spare units manufactured from the same magnetic material—single wedges and a fully assembled PMQ module—were deliberately irradiated by a 3.6 GeV intense proton beam. The performed investigations have shown that in proton radiography applications the above described scattering may result in a high irradiation dose in the PMQ magnets. This did not only decrease the overall magnetic strength of the PMQs but also caused a significant degradation of the field quality of an assembled PMQ module by increasing the parasitic multipole field harmonics which effectively makes PMQs impractical for proton radiography applications or similar scenarios.

High energy proton induced radiation damage of rare earth permanent magnet quadrupoles.

PubMed

Schanz, M; Endres, M; Löwe, K; Lienig, T; Deppert, O; Lang, P M; Varentsov, D; Hoffmann, D H H; Gutfleisch, O

2017-12-01

Permanent magnet quadrupoles (PMQs) are an alternative to common electromagnetic quadrupoles especially for fixed rigidity beam transport scenarios at particle accelerators. Using those magnets for experimental setups can result in certain scenarios, in which a PMQ itself may be exposed to a large amount of primary and secondary particles with a broad energy spectrum, interacting with the magnetic material and affecting its magnetic properties. One specific scenario is proton microscopy, where a proton beam traverses an object and a collimator in which a part of the beam is scattered and deflected into PMQs used as part of a diagnostic system. During the commissioning of the PRIOR (Proton Microscope for Facility for Antiproton and Ion Research) high energy proton microscope facility prototype at Gesellschaft für Schwerionenforschung in 2014, a significant reduction of the image quality was observed which was partially attributed to the demagnetization of the used PMQ lenses and the corresponding decrease of the field quality. In order to study this phenomenon, Monte Carlo simulations were carried out and spare units manufactured from the same magnetic material-single wedges and a fully assembled PMQ module-were deliberately irradiated by a 3.6 GeV intense proton beam. The performed investigations have shown that in proton radiography applications the above described scattering may result in a high irradiation dose in the PMQ magnets. This did not only decrease the overall magnetic strength of the PMQs but also caused a significant degradation of the field quality of an assembled PMQ module by increasing the parasitic multipole field harmonics which effectively makes PMQs impractical for proton radiography applications or similar scenarios.

Test results of the LARP Nb$$_3$$Sn quadrupole HQ03a

DOE PAGES

DiMarco, J.; G. Ambrosio; Chlachidze, G.; ...

2016-03-09

The US LHC Accelerator Research Program (LARP) has been developingmore » $$Nb_3Sn$$ quadrupoles of progressively increasing performance for the high luminosity upgrade of the Large Hadron Collider. The 120 mm aperture High-field Quadrupole (HQ) models are the last step in the R&D phase supporting the development of the new IR Quadrupoles (MQXF). Three series of HQ coils were fabricated and assembled in a shell-based support structure, progressively optimizing the design and fabrication process. The final set of coils consistently applied the optimized design solutions, and was assembled in the HQ03a model. Furthermore, this paper reports a summary of the HQ03a test results, including training, mechanical performance, field quality and quench studies.« less

Recent operation of the FNAL magnetron H- ion source

NASA Astrophysics Data System (ADS)

Karns, P. R.; Bollinger, D. S.; Sosa, A.

2017-08-01

This paper will detail changes in the operational paradigm of the Fermi National Accelerator Laboratory (FNAL) magnetron H- ion source due to upgrades in the accelerator system. Prior to November of 2012 the H- ions for High Energy Physics (HEP) experiments were extracted at ˜18 keV vertically downward into a 90 degree bending magnet and accelerated through a Cockcroft-Walton accelerating column to 750 keV. Following the upgrade in the fall of 2012 the H- ions are now directly extracted from a magnetron at 35 keV and accelerated to 750 keV by a Radio Frequency Quadrupole (RFQ). This change in extraction energy as well as the orientation of the ion source required not only a redesign of the ion source, but an updated understanding of its operation at these new values. Discussed in detail are the changes to the ion source timing, arc discharge current, hydrogen gas pressure, and cesium delivery system that were needed to maintain consistent operation at >99% uptime for HEP, with an increased ion source lifetime of over 9 months.

Mass Spectral Studies of 1-(2-Chloroethoxy)-2-[(2-chloroethyl)thio] Ethane and Related Compounds Using Gas ChromatographyMass Spectrometry and Gas ChromatographyTriple-Quadrupole Mass Spectrometry

DTIC Science & Technology

2016-02-01

NOTES 14. ABSTRACT: The electron impact and collision-induced- dissociation mass spectra of 1-(2-chloroethoxy)-2-[(2-chloroethyl)thio] ethane and 10...Collision-ion dissociation (CID) Triple-quadrupole mass spectrometry (QQQ) 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT...ratio, 10:1), and a 1.0 µL volume of sample was placed on the column. Nitrogen was used as the collision gas for the collision-induced dissociation (CID

Design and Development of a Prototype Permanent Magnet for Focusing/Defocusing for Electron-Ion Colliders

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

Wagner, Bob

Electron-ion colliders (EIC) have been identified as an ideal tool to study the next frontier of nuclear physics – the gluon force that holds the building blocks of matter together, and which is a fundamental component of the theory of Quantum Chromodynamics (QCD). Future electron-ion colliders under consideration can be based on the Energy Recovery Linac (ERL) architecture. The beam lines for this architecture could be built of the newly developed Non-Scaling Fixed Field Alternating Gradient (NS FFAG) structure, so that they can transfer multiple energies within the same aperture. This structure allows for the use of compact, economical quadupolemore » permanent magnets. In this SBIR, we propose to design and to manufacture prototype quadrupole permanent magnets of focusing/defocusing combined function for use in this beam line. For our SBIR project, we proposed to design and build the focusing/defocusing quadrupole with a gradient strength of 50 T/m and with a beam gap of 16mm. The proposed permanent magnet material is SmCo because of its higher radiation resistance as compared to NdBFe2. The use of permanent magnets will reduce the overall cost. For Phase I, we took a recent design by Dr. Dejan Trbojevic, and reran Tosca code on the design to optimize the iron yoke with respect to the thickness of SmCo. We then fabricated one prototype focusing/defocusing combined function quadruple and measured field quality dG/Go. Our plan for Phase II is that, based on our Phase I prototype experience, we shall improve the design and fabricate a production quadruple, and design and incorporate coils for skew dipoles and normal quadrupole correctors, etc. In addition, we shall fabricate enough quadrupoles for one cell. The development of quadrupole permanent magnets is of fundamental importance for there application in the future electron-ion colliders. This accelerator structure will also advance the development of muon accelerators and allow for the development of

Control system high-precision laser to obtain the ensemble of ultracold ions Th3+

NASA Astrophysics Data System (ADS)

Florentsev, V. V.; Zhdamirov, V. Yu; Rodko, I. I.; Borodulya, N. A.; Biryukov, A. P.

2018-01-01

One of key problems of nuclear standard frequency development is preparation assembly of ultracold thorium ions in Pauli trap. In this case semiconductive frequency-stabilized lasers with external resonator on frequencies 690 nm, 984 nm, and 1088 nm are used for excitation of corresponding electronic dipole and quadrupole cooling transitions for Th3+ ions. In the paper the results of development and creation of unified laser module, which is able to be used as base for full-featured system designed for laser cooling of Th3+ ions, are presented. The module is able to fine-tune necessary wavelength with accuracy ±5 nm.

Stabilization of the electron-nuclear spin orientation in quantum dots by the nuclear quadrupole interaction.

PubMed

Dzhioev, R I; Korenev, V L

2007-07-20

The nuclear quadrupole interaction eliminates the restrictions imposed by hyperfine interaction on the spin coherence of an electron and nuclei in a quantum dot. The strain-induced nuclear quadrupole interaction suppresses the nuclear spin flip and makes possible the zero-field dynamic nuclear polarization in self-organized InP/InGaP quantum dots. The direction of the effective nuclear magnetic field is fixed in space, thus quenching the magnetic depolarization of the electron spin in the quantum dot. The quadrupole interaction suppresses the zero-field electron spin decoherence also for the case of nonpolarized nuclei. These results provide a new vision of the role of the nuclear quadrupole interaction in nanostructures: it elongates the spin memory of the electron-nuclear system.

Stabilization of the Electron-Nuclear Spin Orientation in Quantum Dots by the Nuclear Quadrupole Interaction

NASA Astrophysics Data System (ADS)

Dzhioev, R. I.; Korenev, V. L.

2007-07-01

The nuclear quadrupole interaction eliminates the restrictions imposed by hyperfine interaction on the spin coherence of an electron and nuclei in a quantum dot. The strain-induced nuclear quadrupole interaction suppresses the nuclear spin flip and makes possible the zero-field dynamic nuclear polarization in self-organized InP/InGaP quantum dots. The direction of the effective nuclear magnetic field is fixed in space, thus quenching the magnetic depolarization of the electron spin in the quantum dot. The quadrupole interaction suppresses the zero-field electron spin decoherence also for the case of nonpolarized nuclei. These results provide a new vision of the role of the nuclear quadrupole interaction in nanostructures: it elongates the spin memory of the electron-nuclear system.

Detection of caffeine in tea, instant coffee, green tea beverage, and soft drink by direct analysis in real time (DART) source coupled to single-quadrupole mass spectrometry.

PubMed

Wang, Lei; Zhao, Pengyue; Zhang, Fengzu; Bai, Aijuan; Pan, Canping

2013-01-01

Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.

The influence of quadrupole sources in the boundary layer and wake of a blade on helicopter rotor noise

NASA Technical Reports Server (NTRS)

Farassat, F.; Brentner, Kenneth S.

1991-01-01

It is presently noted that, for an observer in or near the plane containing a helicopter rotor disk, and in the far field, part of the volume quadrupole sources, and the blade and wake surface quadrupole sources, completely cancel out. This suggests a novel quadrupole source description for the Ffowcs Williams-Hawkings equation which retain quadrupoles with axes parallel to the rotor disk; in this case, the volume and shock surface sourse terms are dominant.

DISSOCIATIVE RECOMBINATION MEASUREMENTS OF HCl{sup +} USING AN ION STORAGE RING

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

Novotný, O.; Stützel, J.; Savin, D. W.

We have measured dissociative recombination (DR) of HCl{sup +} with electrons using a merged beams configuration at the TSR heavy-ion storage ring located at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany. We present the measured absolute merged beams recombination rate coefficient for collision energies from 0 to 4.5 eV. We have also developed a new method for deriving the cross section from the measurements. Our approach does not suffer from approximations made by previously used methods. The cross section was transformed to a plasma rate coefficient for the electron temperature range from T = 10 to 5000more » K. We show that the previously used HCl{sup +} DR data underestimate the plasma rate coefficient by a factor of 1.5 at T = 10 K and overestimate it by a factor of three at T = 300 K. We also find that the new data may partly explain existing discrepancies between observed abundances of chlorine-bearing molecules and their astrochemical models.« less

Final 6D Muon Ionization Colling using Strong Focusing Quadrupoles

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

Hart, T. L.; Acosta, J. G.; Cremaldi, L. M.

2016-11-15

Abstract Low emittance muon beam lines and muon colliders are potentially a rich source of BSM physics for future exper- imenters. A muon beam normalized emittance of ax,y,z = (280, 280, 1570)µm has been achieved in simulation with short solenoids and a betatron function of 3 cm. Here we use ICOOL and MAD-X to explore using a 400 MeV/c muon beam and strong focusing quadrupoles to achieve a normalized transverse emittance of 100 µm and complete 6D cooling. The low beta regions, as low as 5 mm, produced by the quadrupoles are occupied by dense, low Z absorbers, such asmore » lithium hydride or beryllium, that cool the beam transversely. Equilibrium transverse emittance is linearly proportional to the transverse betatron function. Reverse emittance exchange with septa and/or wedges is then used to decrease transverse emittance from 100 to 25 µm at the expense of longitudinal emittance for a high energy lepton collider. Cooling challenges include chromaticity correction, ssband overlap, quadrupole acceptance, and staying in phase with RF.« less

Gas-phase structural characterization of neuropeptides Y Y1 receptor antagonists using mass spectrometry: Orbitrap vs triple quadrupole.

PubMed

Silva, Eduarda M P; Varandas, Pedro A M M; Melo, Tânia; Barros, Cristina; Alencastre, Inês S; Barreiros, Luísa; Domingues, Pedro; Lamghari, Meriem; Domingues, M Rosário M; Segundo, Marcela A

2018-03-20

Collision induced dissociation of triple quadrupole mass spectrometer (CID-QqQ) and high-energy collision dissociation (HCD) of Orbitrap were compared for four neuropeptides Y Y1 (NPY Y1) receptor antagonists and showed similar qualitative fragmentation and structural information. Orbitrap high resolution and high mass accuracy HCD fragmentation spectra allowed unambiguous identification of product ions in the range 0.04-4.25 ppm. Orbitrap mass spectrometry showed abundant analyte-specific product ions also observed on CID-QqQ. These results show the suitability of these product ions for use in quantitative analysis by MRM mode. In addition, it was found that all compounds could be determined at levels >1 μg L -1 using the QqQ instrument and that the detection limits for this analyzer ranged from 0.02 to 0.6 μg L -1 . Overall, the results obtained from experiments acquired in QqQ show a good agreement with those acquired from the Orbitrap instrument allowing the use of this relatively inexpensive technique (QqQ) for accurate quantification of these compounds in clinical and academic applications. Copyright © 2018 Elsevier B.V. All rights reserved.

Report on Lithium Ion Battery Trade Studies to Support the Exploration Technology Development Program (ETDP) Energy Storage Project

NASA Technical Reports Server (NTRS)

Green, Robert D.; Kissock, Barbara I.; Bennett, William R.

2010-01-01

This report documents the results of two system related analyses to support the Exploration Technology Development Program (ETDP) Energy Storage Project. The first study documents a trade study to determine the optimum Li-ion battery cell capacity for the ascent stage battery for the Altair lunar lander being developed under the Constellation Systems program. The battery cell capacity for the Ultra High Energy (UHE) Li-ion battery initially chosen as the target for development was 35 A-hr; this study concludes that a 19.4 A-hr cell capacity would be more optimum from a minimum battery mass perspective. The second study in this report is an assessment of available low temperature Li-ion battery cell performance data to determine whether lowering the operating temperature range of the Li-ion battery, in a rover application, could save overall system mass by eliminating thermal control system mass normally needed to maintain battery temperature within a tighter temperature limit than electronics or other less temperature sensitive components. The preliminary assessment for this second study indicates that the reduction in the thermal control system mass is negated by an increase in battery mass to compensate for the loss in battery capacity due to lower temperature operating conditions.

Variable high gradient permanent magnet quadrupole (QUAPEVA)

NASA Astrophysics Data System (ADS)

Marteau, F.; Ghaith, A.; N'Gotta, P.; Benabderrahmane, C.; Valléau, M.; Kitegi, C.; Loulergue, A.; Vétéran, J.; Sebdaoui, M.; André, T.; Le Bec, G.; Chavanne, J.; Vallerand, C.; Oumbarek, D.; Cosson, O.; Forest, F.; Jivkov, P.; Lancelot, J. L.; Couprie, M. E.

2017-12-01

Different applications such as laser plasma acceleration, colliders, and diffraction limited light sources require high gradient quadrupoles, with strength that can reach up to 200 T/m for a typical 10 mm bore diameter. We present here a permanent magnet based quadrupole (so-called QUAPEVA) composed of a Halbach ring and surrounded by four permanent magnet cylinders. Its design including magnetic simulation modeling enabling us to reach 201 T/m with a gradient variability of 45% and mechanical issues are reported. Magnetic measurements of seven systems of different lengths are presented and confirmed the theoretical expectations. The variation of the magnetic center while changing the gradient strength is ±10 μm. A triplet of QUAPEVA magnets is used to efficiently focus a beam with large energy spread and high divergence that is generated by a Laser Plasma Acceleration source for a free electron laser demonstration and has enabled us to perform beam based alignment and control the dispersion of the beam.

Quadrupole mass filter: design and performance for operation in stability zone 3.

PubMed

Syed, Sarfaraz U A H; Hogan, Thomas J; Antony Joseph, Mariya J; Maher, Simon; Taylor, Stephen

2013-10-01

The predicted performance of a quadrupole mass filter (QMF) operating in Mathieu stability zone 3 is described in detail using computer simulations. The investigation considers the factors that limit the ultimate maximum resolution (Rmax) and percentage transmission (%Tx), which can be obtained for a given QMF for a particular scan line of operation. The performance curve (i.e., the resolution (R) versus number (N) of radio frequency (rf) cycles experienced by the ions in the mass filter) has been modeled for the upper and lower tip of stability zone 3. The saturation behavior of the performance curve observed in practice for zone 3 is explained. Furthermore, new design equations are presented by examining the intersection of the scan line with stability zone 3. Resolution versus transmission characteristics of stability zones 1 and 3 are compared and the dependence of performance for zones 1 and 3 is related to particular instrument operating parameters.

Use of phenyl/tetrazolyl-functionalized magnetic microspheres and stable isotope labeled internal standards for significant reduction of matrix effect in determination of nine fluoroquinolones by liquid chromatography-quadrupole linear ion trap mass spectrometry.

PubMed

Xu, Fei; Liu, Feng; Wang, Chaozhan; Wei, Yinmao

2018-02-01

In this study, the strategy of unique adsorbent combined with isotope labeled internal standards was used to significantly reduce the matrix effect for the enrichment and analysis of nine fluoroquinolones in a complex sample by liquid chromatography coupled to quadrupole linear ion trap mass spectrometry (LC-QqQ LIT -MS/MS). The adsorbent was prepared conveniently by functionalizing Fe 3 O 4 @SiO 2 microspheres with phenyl and tetrazolyl groups, which could adsorb fluoroquinolones selectively via hydrophobic, electrostatic, and π-π interactions. The established magnetic solid-phase extraction (MSPE) method as well as using stable isotope labeled internal standards in the next MS/MS detection was able to reduce the matrix effect significantly. In the process of LC-QqQ LIT -MS/MS analysis, the precursor and product ions of the analytes were monitored quantitatively and qualitatively on a QTrap system equipped simultaneously with the multiple reaction monitoring (MRM) and enhanced product ion (EPI) scan. Subsequently, the enrichment method combined with LC-QqQ LIT -MS/MS demonstrated good analytical features in terms of linearity (7.5-100.0 ng mL -1 , r > 0.9960), satisfactory recoveries (88.6%-118.3%) with RSDs < 12.0%, LODs = 0.5 μg kg -1 and LOQs = 1.5 μg kg -1 for all tested analytes. Finally, the developed MSPE-LC-QqQ LIT -MS/MS method had been successfully applied to real pork samples for food-safety risk monitoring in Ningxia Province, China. Graphical abstract Mechanism of reducing matrix effect through the as-prepared adsorbent.

Comparison of functional group selective ion-molecule reactions of trimethyl borate in different ion trap mass spectrometers

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

Habicht, S C; Vinueza, Nelson R; Amundson, Lucas M

2011-02-01

We report here a comparison of the use of diagnostic ion–molecule reactions for the identification of oxygen-containing functional groups in Fourier-transform ion cyclotron resonance (FTICR) and linear quadrupole ion trap (LQIT) mass spectrometers. The ultimate goal of this research is to be able to identify functionalities in previously unknown analytes by using many different types of mass spectrometers. Previous work has focused on the reactions of various boron reagents with protonated oxygen-containing analytes in FTICR mass spectrometers. By using a LQIT modified to allow the introduction of neutral reagents into the helium buffer gas, this methodology has been successfully implementedmore » to this type of an ion trap instrument. The products obtained from the reactions of trimethyl borate (TMB) with various protonated analytes are compared for the two instruments. Finally, the ability to integrate these reactions into LC-MS experiments on the LQIT is demonstrated.« less

A targeted strategy to identify untargeted metabolites from in vitro to in vivo: Rapid and sensitive metabolites profiling of licorice in rats using ultra-high performance liquid chromatography coupled with triple quadrupole-linear ion trap mass spectrometry.

PubMed

Huang, Meilin; Cheng, Zhongzhe; Wang, Lu; Feng, Yulin; Huang, Jiangeng; Du, Zhifeng; Jiang, Hongliang

2018-05-29

It is challenging to conduct in vivo metabolic study for traditional Chinese medicines (TCMs) because of complex components, unpredictable metabolic pathways and low metabolite concentrations. Herein, we proposed a sensitive strategy to characterize TCM metabolites in vivo at an orally clinical dose using ultra-high performance liquid chromatography-triple quadrupole-linear ion trap mass spectrometry (UHPLC-QTRAP-MS). Firstly, the metabolism of individual compounds in rat liver microsomes was studied to obtain the metabolic pathways and fragmentation patterns. The untargeted metabolites in vitro were detected by multiple ion monitoring-enhanced product ion (EPI) and neutral loss-EPI scans. Subsequently, a sensitive multiple reaction monitoring-EPI method was developed according to the in vitro results and predicted metabolites to profile the in vivo metabolites. Licorice as a model herb was used to evaluate and validate our strategy. A clinical dose of licorice water extract was orally administered to rats, then a total of 45 metabolites in urine, 21 metabolites in feces and 35 metabolites in plasma were detected. Among them, 18 minor metabolites have not been reported previously and 6 minor metabolites were first detected in vivo. Several isomeric metabolites were well separated and differentiated in our strategy. These results suggested that this new strategy could be widely used for the detection and characterization of in vivo metabolites of TCMs. Copyright © 2018. Published by Elsevier B.V.

Nuclear Structure Studies with Radioactive Ion Beams in the Mass A = 80 Region

NASA Astrophysics Data System (ADS)

Galindo-Uribarri, A.; Padilla-Rodal, E.; Batchelder, J. C.; Beene, J. R.; Lagergren, K. B.; Mueller, P. E.; Radford, D. C.; Stracener, D. W.; Urrego-Blanco, J. P.; Varner, R. L.; Yu, C.-H.

2009-03-01

An experimental program to measure spectroscopic properties of neutron-rich nuclei in the A = 80 region is underway at the Holifield Radioactive Ion Beam Facility. Our approach has been to get a comprehensive picture of the shell structure in this region by studying a series of properties of low lying states (E(2+), B(E2), g-factors and quadrupole moments). The beams, instrumentation and techniques developed specifically for this purpose have allowed us to systematically study the behavior of these observables along isotopic and isotonic chains using both stable and radioactive nuclei under almost identical experimental conditions. We have developed many techniques and detectors for in-beam gamma spectroscopy with radioactive ion beams. Most of the detectors can be used individually or in combination. Generally these detector systems have very large efficiencies. We give examples of their use from three recent experiments; namely, Coulomb excitation of n-rich nuclei along the N = 50 shell closure, the static quadrupole moment of the first 2+ in 78Ge and g-factor measurements of n-rich isotopes near N = 50.

Ion-to-Neutral Ratios and Thermal Proton Transfer in Matrix-Assisted Laser Desorption/Ionization

NASA Astrophysics Data System (ADS)

Lu, I.-Chung; Chu, Kuan Yu; Lin, Chih-Yuan; Wu, Shang-Yun; Dyakov, Yuri A.; Chen, Jien-Lian; Gray-Weale, Angus; Lee, Yuan-Tseh; Ni, Chi-Kung

2015-07-01

The ion-to-neutral ratios of four commonly used solid matrices, α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (2,5-DHB), sinapinic acid (SA), and ferulic acid (FA) in matrix-assisted laser desorption/ionization (MALDI) at 355 nm are reported. Ions are measured using a time-of-flight mass spectrometer combined with a time-sliced ion imaging detector. Neutrals are measured using a rotatable quadrupole mass spectrometer. The ion-to-neutral ratios of CHCA are three orders of magnitude larger than those of the other matrices at the same laser fluence. The ion-to-neutral ratios predicted using the thermal proton transfer model are similar to the experimental measurements, indicating that thermal proton transfer reactions play a major role in generating ions in ultraviolet-MALDI.

Background-free beta-decay half-life measurements by in-trap decay and high-resolution MR-ToF mass analysis

NASA Astrophysics Data System (ADS)

Wolf, R. N.; Atanasov, D.; Blaum, K.; Kreim, S.; Lunney, D.; Manea, V.; Rosenbusch, M.; Schweikhard, L.; Welker, A.; Wienholtz, F.; Zuber, K.

2016-06-01

In-trap decay in ISOLTRAP's radiofrequency quadrupole (RFQ) ion beam cooler and buncher was used to determine the lifetime of short-lived nuclides. After various storage times, the remaining mother nuclides were mass separated from accompanying isobaric contaminations by the multi-reflection time-of-flight mass separator (MR-ToF MS), allowing for a background-free ion counting. A feasibility study with several online measurements shows that the applications of the ISOLTRAP setup can be further extended by exploiting the high resolving power of the MR-ToF MS in combination with in-trap decay and single-ion counting.

The MQXA quadrupoles for the LHC low-beta insertions

NASA Astrophysics Data System (ADS)

Ajima, Y.; Higashi, N.; Iida, M.; Kimura, N.; Nakamoto, T.; Ogitsu, T.; Ohhata, H.; Ohuchi, N.; Shintomi, T.; Sugawara, S.; Sugita, K.; Tanaka, K.; Taylor, T.; Terashima, A.; Tsuchiya, K.; Yamamoto, A.

2005-09-01

High-performance superconducting quadrupole magnets, MQXA, for the LHC low-beta insertions have been designed, manufactured in series and tested. The design field gradient of the quadrupole, which has a coil aperture of diameter 70 mm, was 240 T/m at 1.9 K; its effective length is 6.37 m, and it is required to operate reliably at up to 215 T/m when subjected to radiation heat deposit in the coils of up to 5 W/m. The series of 20 magnets has been produced in industry, and tested at KEK. The magnet design is explained, and the construction and performance of the series units, in terms of training, field quality and geometry, are presented.

Chemical Profiling of Re-Du-Ning Injection by Ultra-Performance Liquid Chromatography Coupled with Electrospray Ionization Tandem Quadrupole Time-of-Flight Mass Spectrometry through the Screening of Diagnostic Ions in MSE Mode

PubMed Central

Wang, Zhenzhong; Geng, Jianliang; Dai, Yi; Xiao, Wei; Yao, Xinsheng

2015-01-01

The broad applications and mechanism explorations of traditional Chinese medicine prescriptions (TCMPs) require a clear understanding of TCMP chemical constituents. In the present study, we describe an efficient and universally applicable analytical approach based on ultra-performance liquid chromatography coupled to electrospray ionization tandem quadrupole time-of-flight mass spectrometry (UPLC-ESI-Q/TOF-MS) with the MSE (E denotes collision energy) data acquisition mode, which allowed the rapid separation and reliable determination of TCMP chemical constituents. By monitoring diagnostic ions in the high energy function of MSE, target peaks of analogous compounds in TCMPs could be rapidly screened and identified. “Re-Du-Ning” injection (RDN), a eutherapeutic traditional Chinese medicine injection (TCMI) that has been widely used to reduce fever caused by viral infections in clinical practice, was studied as an example. In total, 90 compounds, including five new iridoids and one new sesquiterpene, were identified or tentatively characterized by accurate mass measurements within 5 ppm error. This analysis was accompanied by MS fragmentation and reference standard comparison analyses. Furthermore, the herbal sources of these compounds were unambiguously confirmed by comparing the extracted ion chromatograms (EICs) of RDN and ingredient herbal extracts. Our work provides a certain foundation for further studies of RDN. Moreover, the analytical approach developed herein has proven to be generally applicable for profiling the chemical constituents in TCMPs and other complicated mixtures. PMID:25875968

An Aqueous Ca-Ion Battery

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

Gheytani, Saman; Liang, Yanliang; Wu, Feilong

Multivalent-ion batteries are emerging as low-cost, high energy density, and safe alternatives to Li-ion batteries but are challenged by slow cation diffusion in electrode materials due to the high polarization strength of Mg- and Al-ions. In contrast, Ca-ion has a low polarization strength similar to that of Li-ion, therefore a Ca-ion battery will share the advantages while avoiding the kinetics issues related to multivalent batteries. However, there is no battery known that utilizes the Ca-ion chemistry due to the limited success in Ca-ion storage materials. Here, a safe and low-cost aqueous Ca-ion battery based on a highly reversible polyimide anodemore » and a high-potential open framework copper hexacyanoferrate cathode is demonstrated. The prototype cell shows a stable capacity and high efficiency at both high and low current rates, with an 88% capacity retention and an average 99% coloumbic efficiency after cycling at 10C for 1000 cycles. The Ca-ion storage mechanism for both electrodes as well as the origin of the fast kinetics have been investigated. Finally, additional comparison with a Mg-ion cell with identical electrodes reveals clear kinetics advantages for the Ca-ion system, which is explained by the smaller ionic radii and more facile desolvation of hydrated Ca-ions.« less

An Aqueous Ca-Ion Battery

DOE PAGES

Gheytani, Saman; Liang, Yanliang; Wu, Feilong; ...

2017-10-26

Multivalent-ion batteries are emerging as low-cost, high energy density, and safe alternatives to Li-ion batteries but are challenged by slow cation diffusion in electrode materials due to the high polarization strength of Mg- and Al-ions. In contrast, Ca-ion has a low polarization strength similar to that of Li-ion, therefore a Ca-ion battery will share the advantages while avoiding the kinetics issues related to multivalent batteries. However, there is no battery known that utilizes the Ca-ion chemistry due to the limited success in Ca-ion storage materials. Here, a safe and low-cost aqueous Ca-ion battery based on a highly reversible polyimide anodemore » and a high-potential open framework copper hexacyanoferrate cathode is demonstrated. The prototype cell shows a stable capacity and high efficiency at both high and low current rates, with an 88% capacity retention and an average 99% coloumbic efficiency after cycling at 10C for 1000 cycles. The Ca-ion storage mechanism for both electrodes as well as the origin of the fast kinetics have been investigated. Finally, additional comparison with a Mg-ion cell with identical electrodes reveals clear kinetics advantages for the Ca-ion system, which is explained by the smaller ionic radii and more facile desolvation of hydrated Ca-ions.« less

The fate of b-ions in the two worlds of collision-induced dissociation.

PubMed

Waldera-Lupa, Daniel M; Stefanski, Anja; Meyer, Helmut E; Stühler, Kai

2013-12-01

Fragment analysis of proteins and peptides by mass spectrometry using collision-induced dissociation (CID) revealed that the pairwise generated N-terminal b- and C-terminal y-ions have different stabilities resulting in underrepresentation of b-ions. Detailed analyses of large-scale spectra databases and synthetic peptides underlined these observations and additionally showed that the fragmentation pattern depends on utilized CID regime. To investigate this underrepresentation further we systematically compared resonant excitation energy and beam-type CID facilitated on different mass spectrometer platforms: (i) quadrupole time-of-flight, (ii) linear ion trap and (iii) three-dimensional ion trap. Detailed analysis of MS/MS data from a standard tryptic protein digest revealed that b-ions are significantly underrepresented on all investigated mass spectrometers. By N-terminal acetylation of tryptic peptides we show for the first time that b-ion cyclization reaction significantly contributes to b-ion underrepresentation even on ion trap instruments and accounts for at most 16% of b-ion loss. © 2013.

ANALYTICAL SOLUTIONS OF SINGULAR ISOTHERMAL QUADRUPOLE LENS

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

Chu Zhe; Lin, W. P.; Yang Xiaofeng, E-mail: chuzhe@shao.ac.cn, E-mail: linwp@shao.ac.cn

Using an analytical method, we study the singular isothermal quadrupole (SIQ) lens system, which is the simplest lens model that can produce four images. In this case, the radial mass distribution is in accord with the profile of the singular isothermal sphere lens, and the tangential distribution is given by adding a quadrupole on the monopole component. The basic properties of the SIQ lens have been studied in this Letter, including the deflection potential, deflection angle, magnification, critical curve, caustic, pseudo-caustic, and transition locus. Analytical solutions of the image positions and magnifications for the source on axes are derived. Wemore » find that naked cusps will appear when the relative intensity k of quadrupole to monopole is larger than 0.6. According to the magnification invariant theory of the SIQ lens, the sum of the signed magnifications of the four images should be equal to unity, as found by Dalal. However, if a source lies in the naked cusp, the summed magnification of the left three images is smaller than the invariant 1. With this simple lens system, we study the situations where a point source infinitely approaches a cusp or a fold. The sum of the magnifications of the cusp image triplet is usually not equal to 0, and it is usually positive for major cusps while negative for minor cusps. Similarly, the sum of magnifications of the fold image pair is usually not equal to 0 either. Nevertheless, the cusp and fold relations are still equal to 0 in that the sum values are divided by infinite absolute magnifications by definition.« less

Efficient storage mechanisms for building better supercapacitors

NASA Astrophysics Data System (ADS)

Salanne, M.; Rotenberg, B.; Naoi, K.; Kaneko, K.; Taberna, P.-L.; Grey, C. P.; Dunn, B.; Simon, P.

2016-06-01

Supercapacitors are electrochemical energy storage devices that operate on the simple mechanism of adsorption of ions from an electrolyte on a high-surface-area electrode. Over the past decade, the performance of supercapacitors has greatly improved, as electrode materials have been tuned at the nanoscale and electrolytes have gained an active role, enabling more efficient storage mechanisms. In porous carbon materials with subnanometre pores, the desolvation of the ions leads to surprisingly high capacitances. Oxide materials store charge by surface redox reactions, leading to the pseudocapacitive effect. Understanding the physical mechanisms underlying charge storage in these materials is important for further development of supercapacitors. Here we review recent progress, from both in situ experiments and advanced simulation techniques, in understanding the charge storage mechanism in carbon- and oxide-based supercapacitors. We also discuss the challenges that still need to be addressed for building better supercapacitors.

High intensity ion beams from an atmospheric pressure inductively coupled plasma

NASA Astrophysics Data System (ADS)

Al Moussalami, S.; Chen, W.; Collings, B. A.; Douglas, D. J.

2002-02-01

This work is directed towards substantially improving the sensitivity of an inductively coupled plasma mass spectrometer (ICP-MS). Ions produced in the ICP at atmospheric pressure have been extracted with comparatively high current densities. The conventional approach to ion extraction, based on a skimmed molecular beam, has been abandoned, and a high extraction field arrangement has been adopted. Although the new approach is not optimized, current densities more than 180 times greater than that of a conventional interface have been extracted and analyte sensitivities ˜10-100× greater than those reported previously for quadrupole ICP-MS have been measured.

Magnetic quench antenna for MQXF quadrupoles

DOE PAGES

Marchevsky, Maxim; Sabbi, GianLuca; Prestemon, Soren; ...

2016-12-21

High-field MQXF-series quadrupoles are presently under development by LARP and CERN for the upcoming LHC luminosity upgrade. Quench training and protection studies on MQXF prototypes require a capability to accurately localize quenches and measure their propagation velocity in the magnet coils. The voltage tap technique commonly used for such purposes is not a convenient option for the 4.2-m-long MQXF-A prototype, nor can it be implemented in the production model. We have developed and tested a modular inductive magnetic antenna for quench localization. The base element of our quench antenna is a round-shaped printed circuit board containing two orthogonal pairs ofmore » flat coils integrated with low-noise preamplifiers. The elements are aligned axially and spaced equidistantly in 8-element sections using a supporting rod structure. The sections are installed in the warm bore of the magnet, and can be stacked together to adapt for the magnet length. We discuss the design, operational characteristics and preliminary qualification of the antenna. Lastly, axial quench localization capability with an accuracy of better than 2 cm has been validated during training test campaign of the MQXF-S1 quadrupole.« less

Magnetic quench antenna for MQXF quadrupoles

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

Marchevsky, Maxim; Sabbi, GianLuca; Prestemon, Soren

High-field MQXF-series quadrupoles are presently under development by LARP and CERN for the upcoming LHC luminosity upgrade. Quench training and protection studies on MQXF prototypes require a capability to accurately localize quenches and measure their propagation velocity in the magnet coils. The voltage tap technique commonly used for such purposes is not a convenient option for the 4.2-m-long MQXF-A prototype, nor can it be implemented in the production model. We have developed and tested a modular inductive magnetic antenna for quench localization. The base element of our quench antenna is a round-shaped printed circuit board containing two orthogonal pairs ofmore » flat coils integrated with low-noise preamplifiers. The elements are aligned axially and spaced equidistantly in 8-element sections using a supporting rod structure. The sections are installed in the warm bore of the magnet, and can be stacked together to adapt for the magnet length. We discuss the design, operational characteristics and preliminary qualification of the antenna. Lastly, axial quench localization capability with an accuracy of better than 2 cm has been validated during training test campaign of the MQXF-S1 quadrupole.« less

Metal-Organic Framework-Derived Materials for Sodium Energy Storage.

PubMed

Zou, Guoqiang; Hou, Hongshuai; Ge, Peng; Huang, Zhaodong; Zhao, Ganggang; Yin, Dulin; Ji, Xiaobo

2018-01-01

Recently, sodium-ion batteries (SIBs) are extensively explored and are regarded as one of the most promising alternatives to lithium-ion batteries for electrochemical energy conversion and storage, owing to the abundant raw material resources, low cost, and similar electrochemical behavior of elemental sodium compared to lithium. Metal-organic frameworks (MOFs) have attracted enormous attention due to their high surface areas, tunable structures, and diverse applications in drug delivery, gas storage, and catalysis. Recently, there has been an escalating interest in exploiting MOF-derived materials as anodes for sodium energy storage due to their fast mass transport resulting from their highly porous structures and relatively simple preparation methods originating from in situ thermal treatment processes. In this Review, the recent progress of the sodium-ion storage performances of MOF-derived materials, including MOF-derived porous carbons, metal oxides, metal oxide/carbon nanocomposites, and other materials (e.g., metal phosphides, metal sulfides, and metal selenides), as SIB anodes is systematically and completely presented and discussed. Moreover, the current challenges and perspectives of MOF-derived materials in electrochemical energy storage are discussed. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Distributed Storage Inverter and Legacy Generator Integration Plus Renewables Solution for Microgrids

DTIC Science & Technology

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

Hydrogen-based electrochemical energy storage

DOEpatents

Simpson, Lin Jay

2013-08-06

An energy storage device (100) providing high storage densities via hydrogen storage. The device (100) includes a counter electrode (110), a storage electrode (130), and an ion conducting membrane (120) positioned between the counter electrode (110) and the storage electrode (130). The counter electrode (110) is formed of one or more materials with an affinity for hydrogen and includes an exchange matrix for elements/materials selected from the non-noble materials that have an affinity for hydrogen. The storage electrode (130) is loaded with hydrogen such as atomic or mono-hydrogen that is adsorbed by a hydrogen storage material such that the hydrogen (132, 134) may be stored with low chemical bonding. The hydrogen storage material is typically formed of a lightweight material such as carbon or boron with a network of passage-ways or intercalants for storing and conducting mono-hydrogen, protons, or the like. The hydrogen storage material may store at least ten percent by weight hydrogen (132, 134) at ambient temperature and pressure.

Fourier transform microwave spectroscopy of the SiCl+ ion

NASA Astrophysics Data System (ADS)

Tanaka, Keiichi; Harada, Kensuke; Cabezas, Carlos; Endo, Yasuki

2018-03-01

Fourier transform microwave spectra for the J = 1 ← 0 and 2 ← 1 rotational transitions of the SiCl+ ion were observed for two isotopologues (35 Cl and 37 Cl) in the ground and the first excited vibrational states of the ground 1Σ+ electronic state. Thanks to the high resolution of the FTMW spectrometer, hyperfine structures due to the quadrupole moment of the chlorine nucleus and the nuclear spin-rotation interaction were fully resolved. The observed FTMW spectra were combined with previously reported MMW and diode laser spectra in an analysis to determine the mass-independent Dunham coefficients Uk,l as well as a mass scaling parameter Δ01Cl = - 0.856 (30) . The equilibrium bond length of SiCl+ determined is re = 1.9439729 (10) Å and the nuclear quadrupole coupling constant of Si35 Cl+ is eQqe = - 11.8788 (23) MHz.

Compensation of orbit distortion due to quadrupole motion using feed-forward control at KEK ATF

NASA Astrophysics Data System (ADS)

Bett, D. R.; Charrondière, C.; Patecki, M.; Pfingstner, J.; Schulte, D.; Tomás, R.; Jeremie, A.; Kubo, K.; Kuroda, S.; Naito, T.; Okugi, T.; Tauchi, T.; Terunuma, N.; Burrows, P. N.; Christian, G. B.; Perry, C.

2018-07-01

The high luminosity requirement for a future linear collider sets a demanding limit on the beam quality at the Interaction Point (IP). One potential source of luminosity loss is the motion of the ground itself. The resulting misalignments of the quadrupole magnets cause distortions to the beam orbit and hence an increase in the beam emittance. This paper describes a technique for compensating this orbit distortion by using seismometers to monitor the misalignment of the quadrupole magnets in real-time. The first demonstration of the technique was achieved at the Accelerator Test Facility (ATF) at KEK in Japan. The feed-forward system consisted of a seismometer-based quadrupole motion monitoring system, an FPGA-based feed-forward processor and a stripline kicker plus associated electronics. Through the application of a kick calculated from the position of a single quadruple, the system was able to remove about 80% of the component of the beam jitter that was correlated to the motion of the quadrupole. As a significant fraction of the orbit jitter in the ATF final focus is due to sources other than quadrupole misalignment, this amounted to an approximately 15% reduction in the absolute beam jitter.

Simultaneous analysis by Quadrupole-Orbitrap mass spectrometry and UHPLC-MS/MS for the determination of sedative-hypnotics and sleep inducers in adulterated products.

PubMed

Lee, Ji Hyun; Park, Han Na; Choi, Ji Yeon; Kim, Nam Sook; Park, Hyung-Joon; Park, Seong Soo; Baek, Sun Young

2017-12-01

Adulterated products are continuously detected in society and cause problems. In this study, we developed and validated a method for determining synthetic sedative-hypnotics and sleep inducers, including barbital, benzodiazepam, zolpidem, and first-generation antihistamines, in adulterated products using Quadrupole-Orbitrap mass spectrometry and ultrahigh performance liquid chromatography with tandem mass spectrometry. In Quadrupole-Orbitrap mass spectrometry analysis, target compounds were confirmed using a combination of retention time, mass tolerance, mass accuracy, and fragment ions. For quantification, several validation parameters were employed using ultrahigh performance liquid chromatography with tandem mass spectrometry. The limit of detection and limit of quantitation was 0.05-53 and 0.17-177 ng/mL, respectively. The correlation coefficient for linearity was more than 0.995. The intra- and interassay accuracies were 86-110 and 84-111%, respectively. Their precision values were evaluated as within 4.0 (intraday) and 10.7% (interday). Mean recoveries of target compounds in adulterated products ranged from 85 to 116%. The relative standard deviation of stability was less than 10.7% at 4°C for 48 h. The 144 adulterated products obtained over 3 years (2014-2016) from online and in-person vendors were tested using established methods. After rapidly screening with Quadrupole-Orbitrap mass spectrometry, the detected samples were quantified using ultrahigh performance liquid chromatography with tandem mass spectrometry. Two of them were adulterated with phenobarbital. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dynamics of vortex quadrupoles in nonrotating trapped Bose-Einstein condensates.

PubMed

Yang, Tao; Hu, Zhi-Qiang; Zou, Shan; Liu, Wu-Ming

2016-07-28

Dynamics of vortex clusters is essential for understanding diverse superfluid phenomena. In this paper, we examine the dynamics of vortex quadrupoles in a trapped two-dimensional (2D) Bose-Einstein condensate. We find that the movement of these vortex-clusters fall into three distinct regimes which are fully described by the radial positions of the vortices in a 2D isotropic harmonic trap, or by the major radius (minor radius) of the elliptical equipotential lines decided by the vortex positions in a 2D anisotropic harmonic trap. In the "recombination" and "exchange" regimes the quadrupole structure maintains, while the vortices annihilate each other permanently in the "annihilation" regime. We find that the mechanism of the charge flipping in the "exchange" regime and the disappearance of the quadrupole structure in the "annihilation" regime are both through an intermediate state where two vortex dipoles connected through a soliton ring. We give the parameter ranges for these three regimes in coordinate space for a specific initial configuration and phase diagram of the vortex positions with respect to the Thomas-Fermi radius of the condensate. We show that the results are also applicable to systems with quantum fluctuations for the short-time evolution.

Grid Scale Energy Storage (Symposium EE8)

DTIC Science & Technology

2016-06-01

27709-2211 Grid-Scale Energy Storage, electrolytes, systems ntegration, Lithium - ion chemistry, Redox flow batteries REPORT DOCUMENTATION PAGE 11... Lithium - Ion Chemistry (4) Redox Flow Batteries Christopher J. Orendorff from Sandia National Laboratories kicked off the symposium on Tuesday...for redox flow batteries . SEI formation is a well-known process in standard lithium - ion battery operation; however, using aqueous electrolytes does

Pyrite (FeS2) nanocrystals as inexpensive high-performance lithium-ion cathode and sodium-ion anode materials

NASA Astrophysics Data System (ADS)

Walter, Marc; Zünd, Tanja; Kovalenko, Maksym V.

2015-05-01

In light of the impeding depletion of fossil fuels and necessity to lower carbon dioxide emissions, economically viable high-performance batteries are urgently needed for numerous applications ranging from electric cars to stationary large-scale electricity storage. Due to its low raw material cost, non-toxicity and potentially high charge-storage capacity pyrite (FeS2) is a highly promising material for such next-generation batteries. In this work we present the electrochemical performance of FeS2 nanocrystals (NCs) as lithium-ion and sodium-ion storage materials. First, we show that nanoscopic FeS2 is a promising lithium-ion cathode material, delivering a capacity of 715 mA h g-1 and average energy density of 1237 Wh kg-1 for 100 cycles, twice higher than for commonly used LiCoO2 cathodes. Then we demonstrate, for the first time, that FeS2 NCs can serve as highly reversible sodium-ion anode material with long cycling life. As sodium-ion anode material, FeS2 NCs provide capacities above 500 mA h g-1 for 400 cycles at a current rate of 1000 mA g-1. In all our tests and control experiments, the performance of chemically synthesized nanoscale FeS2 clearly surpasses bulk FeS2 as well as large number of other nanostructured metal sulfides.In light of the impeding depletion of fossil fuels and necessity to lower carbon dioxide emissions, economically viable high-performance batteries are urgently needed for numerous applications ranging from electric cars to stationary large-scale electricity storage. Due to its low raw material cost, non-toxicity and potentially high charge-storage capacity pyrite (FeS2) is a highly promising material for such next-generation batteries. In this work we present the electrochemical performance of FeS2 nanocrystals (NCs) as lithium-ion and sodium-ion storage materials. First, we show that nanoscopic FeS2 is a promising lithium-ion cathode material, delivering a capacity of 715 mA h g-1 and average energy density of 1237 Wh kg-1 for 100

Oligonucleotide gas-phase hydrogen/deuterium exchange with D2S in the collision cell of a quadrupole-Fourier transform ion cyclotron resonance mass spectrometer.

PubMed

Mo, Jingjie; Håkansson, Kristina

2007-10-15

We have implemented gas-phase hydrogen/deuterium exchange (HDX) experiments in the external collision cell of a hybrid quadrupole-Fourier transform ion cyclotron resonance mass spectrometer. In this configuration, multiply charged oligonucleotide anions undergo significant exchange with D(2)S at reaction intervals ranging from 0.11 to 60.1 s. For DNA homohexamers, relative exchange rates were dC(6) approximately dA(6) > dG(6) > dT(6), correlating with the gas-phase acidities of nucleobases (C > A > T > G), except for guanine. Our results are consistent with a relay mechanism in which D(2)S interacts with both a backbone phosphate group and a neutral nucleobase through hydrogen bonding. We propose that the faster exchange of polyguanosine compared to polythymidine is due to the larger size of guanine and the orientation of its labile hydrogens, which may result in gas-phase conformations more favorable for forming complexes with D(2)S. Similar trends were observed for RNA homohexamers, although their HDX rates were faster than for DNA, suggesting they can also exchange via another relay process involving the 2'-hydroxyl group. HDX of DNA duplexes further supports the involvement of nucleobase hydrogens because duplexes exchanged slower than their corresponding single strands, presumably due to the intermolecular hydrogen bonds between nucleobases. This work constitutes the first investigation of the mechanisms of oligonucleotide gas-phase HDX. Our results on duplexes show promise for application of this strategy to the characterization of structured nucleic acids.

The importance of quadrupole sources in prediction of transonic tip speed propeller noise

NASA Technical Reports Server (NTRS)

Hanson, D. B.; Fink, M. R.

1978-01-01

A theoretical analysis is presented for the harmonic noise of high speed, open rotors. Far field acoustic radiation equations based on the Ffowcs-Williams/Hawkings theory are derived for a static rotor with thin blades and zero lift. Near the plane of rotation, the dominant sources are the volume displacement and the rho U(2) quadrupole, where u is the disturbance velocity component in the direction blade motion. These sources are compared in both the time domain and the frequency domain using two dimensional airfoil theories valid in the subsonic, transonic, and supersonic speed ranges. For nonlifting parabolic arc blades, the two sources are equally important at speeds between the section critical Mach number and a Mach number of one. However, for moderately subsonic or fully supersonic flow over thin blade sections, the quadrupole term is negligible. It is concluded for thin blades that significant quadrupole noise radiation is strictly a transonic phenomenon and that it can be suppressed with blade sweep. Noise calculations are presented for two rotors, one simulating a helicopter main rotor and the other a model propeller. For the latter, agreement with test data was substantially improved by including the quadrupole source term.

Laser ablation synthesis of arsenic-phosphide Asm Pn clusters from As-P mixtures. Laser desorption ionisation with quadrupole ion trap time-of-flight mass spectrometry: The mass spectrometer as a synthesizer.

PubMed

Kubáček, Pavel; Prokeš, Lubomír; Pamreddy, Annapurna; Peña-Méndez, Eladia María; Conde, José Elias; Alberti, Milan; Havel, Josef

2018-05-30

Only a few arsenic phosphides are known. A high potential for the generation of new compounds is offered by Laser Ablation Synthesis (LAS) and when Laser Desorption Ionization (LDI) is coupled with simultaneous Time-Of-Flight Mass Spectrometry (TOFMS), immediate identification of the clusters can be achieved. LAS was used for the generation of arsenic phosphides via laser ablation of phosphorus-arsenic mixtures while quadrupole ion trap time-of-flight mass spectrometry (QIT-TOFMS) was used to acquire the mass spectra. Many new As m P n ± clusters (479 binary and 369 mono-elemental) not yet described in the literature were generated in the gas phase and their stoichiometry determined. The likely structures for some of the observed clusters arbitrary selected (20) were computed by density functional theory (DFT) optimization. LAS is an advantageous approach for the generation of new As m P n clusters, while mass spectrometry was found to be an efficient technique for the determination of cluster stoichiometry. The results achieved might inspire the synthesis of new materials. Copyright © 2018 John Wiley & Sons, Ltd.

Interaction of Fast Ions with Global Plasma Modes in the C-2 Field Reversed Configuration Experiment

NASA Astrophysics Data System (ADS)

Smirnov, Artem; Dettrick, Sean; Clary, Ryan; Korepanov, Sergey; Thompson, Matthew; Trask, Erik; Tuszewski, Michel

2012-10-01

A high-confinement operating regime [1] with plasma lifetimes significantly exceeding past empirical scaling laws was recently obtained by combining plasma gun edge biasing and tangential Neutral Beam Injection (NBI) in the C-2 field-reversed configuration (FRC) experiment [2, 3]. We present experimental and computational results on the interaction of fast ions with the n=2 rotational and n=1 wobble modes in the C-2 FRC. It is found that the n=2 mode is similar to quadrupole magnetic fields in its detrimental effect on the fast ion transport due to symmetry breaking. The plasma gun generates an inward radial electric field, thus stabilizing the n=2 rotational instability without applying the quadrupole magnetic fields. The resultant FRCs are nearly axisymmetric, which enables fast ion confinement. The NBI further suppresses the n=2 mode, improves the plasma confinement characteristics, and increases the plasma configuration lifetime [4]. The n=1 wobble mode has relatively little effect on the fast ion transport, likely due to the approximate axisymmetry about the displaced plasma column. [4pt] [1] M. Tuszewski et al., Phys. Rev. Lett. 108, 255008 (2012).[0pt] [2] M. Binderbauer et al., Phys. Rev. Lett. 105, 045003 (2010).[0pt] [3] H.Y. Guo et al., Phys. Plasmas 18, 056110 (2011).[0pt] [4] M. Tuszewski et al., Phys. Plasmas 19, 056108 (2012)

Volatile generation in bell peppers during frozen storage and thawing using selected ion flow tube mass spectrometry (SIFT-MS).

PubMed

Wampler, Brendan; Barringer, Sheryl A

2012-06-01

To determine volatile formation during storage and thawing, whole, pureed, blanched, and raw green and red bell peppers (Capsicum annuum) were frozen quickly or slowly then stored at -18 °C for up to 7 mo, with and without SnCl(2) addition during thawing. Headspace analysis was performed by a Selected Ion Flow Tube Mass Spectrometer (SIFT-MS). After blanching, (Z)-3-hexenal had a large significant decrease in concentration since it is a heat labile compound while most other volatiles did not change in concentration. The freezing process increased volatile levels in the puree only. Slow freeze peppers had higher levels of some LOX generated volatiles during storage than quick freeze. During frozen storage of blanched samples (E)-2-hexenal, (Z and E)-hexen-1-ol, and (E)-2-pentenal increased likely because of nonenzymatic autoxidation of fatty acids while other volatiles remained constant. In Raw Whole peppers, (Z)-3-hexenal, hexanal, and 2-pentylfuran were generated during storage likely because the LOX enzyme is still active during frozen storage. However, blanched samples had higher concentrations of (E)-2-hexenal, (Z and E)-hexen-1-ol, 1-penten-3-one, and (E)-2-heptenal because of enzymatic destruction of these volatiles in the raw samples. The levels of many of the volatiles in the raw samples, including (Z)-3-hexenal, (E)-2-hexenal, (Z and E)-hexen-1-ol, hexanal, (E)-2-pentenal, and 2-pentylfuran, appeared to peak around 34 d after freezing. Pureed samples had significantly higher levels of volatiles than the whole samples, and volatiles peaked earlier. Green bell pepper volatile levels were always higher than red bell pepper. Significantly higher volatile formation occurred during thawing than it did during frozen storage. Studying and monitoring the headspace volatiles with a SIFT-MS can give information that will help manufacturers better understand how the volatiles in bell peppers change during frozen storage. This will give valuable information to

Theory of Nuclear Quadrupole Interactions in the Chemical Ferromagnet p-Cl-Ph-CH-N=TEMPO

NASA Astrophysics Data System (ADS)

Briere, Tina M.; Jeong, Junho; Sahoo, N.; Das, T. P.; Ohira, S.; Nishiyama, K.; Nagamine, K.

2002-03-01

The study(Junho Jeong et al., Physica B 289-290, 132 (2000).) of the magnetic hyperfine properties of chemical ferromagnets provides valuable information about the electronic spin distributions in the individual molecules. Insights into the electronic charge distributions and their anisotropy can be obtained from electric quadrupole interactions for the different nuclei in these systems. For this purpose we have studied the nuclear quadrupole interactions(T. P. Das and E. L. Hahn "Nuclear Quadrupole Resonance Spectroscopy", Academic Press Inc., New York, 1958.) for the 14^N nuclei in the NO group and the bridge nitrogen, the 17^O nucleus in the NO group and the 35^Cl nucleus in the p-Cl-Ph-CH-N=TEMPO system both by itself and in the presence of trapped μ and Mu. Comparison will be made between our results and available experimental quadrupole coupling constant (e^2qQ) and asymmetry parameter (η) data.

Calendar aging of a 250 kW/500 kWh Li-ion battery deployed for the grid storage application

NASA Astrophysics Data System (ADS)

Kubiak, Pierre; Cen, Zhaohui; López, Carmen M.; Belharouak, Ilias

2017-12-01

The introduction of Li-ion batteries for grid applications has become evidence as the cost per kWh is continuously decreasing. Although the Li-ion battery is a mature technology for automotive applications and portable electronics, its use for stationary applications needs more validation. The Li-ion technology is considered safe enough for grid storage application, but its lifetime is generally evaluated to be around 10 years. Higher market penetration will be achieved if a longer lifespan could be demonstrated. Therefore, aging evaluation of the batteries becomes crucial. In this paper we investigated the effects of aging after a three years' standby field deployment of a 250 kW/500 kWh Li-ion battery integrated with the grid and solar farm under the harsh climate conditions of Qatar. The development of tools for acquisition and analysis of data from the battery management system (BMS) allows the assessment of the battery performance at the battery stack, string and cell levels. The analysis of the residual capacity after aging showed that the stack suffered from a low decrease of capacity, whereas some inconsistencies have been found between the strings. These inconsistencies are caused by misalignment of a small number of cells that underwent self-discharge during standby at high state of charge.

Polyphenolic profile of butterhead lettuce cultivar by ultrahigh performance liquid chromatography coupled online to UV-visible spectrophotometry and quadrupole time-of-flight mass spectrometry.

PubMed

Viacava, Gabriela E; Roura, Sara I; López-Márquez, Diana M; Berrueta, Luis A; Gallo, Blanca; Alonso-Salces, Rosa M

2018-09-15

In the present study, the butterhead lettuce cultivar was analyzed by ultrahigh performance liquid chromatography (UHPLC) coupled online to diode array detection (DAD), electrospray ionization (ESI) and quadrupole time-of-flight mass spectrometry (QToF/MS) in the positive and negative ion mode in order to characterize its polyphenolic profile for the first time. The instrument acquisition mode MS E was used to collect automatic and simultaneous information of exact mass at high and low collision energies of precursor ions as well as other ions produced as a result of their fragmentation. One hundred eleven phenolic compounds were identified in the acidified hydromethanolic extract of freeze-dried leaves of butterhead lettuce cultivar: 40 hydroxycinnamic acid derivatives, 21 hydroxybenzoic acid derivatives, 2 hydroxyphenylacetic acid derivatives, 18 flavonols, 9 flavones, one flavanone, 7 coumarins, one hydrolysable tannin and 12 lignans. Forty-seven of these compounds have been tentatively identified for the first time in lettuce. Copyright © 2018 Elsevier Ltd. All rights reserved.

Production of needle-type liquid-metal ion sources and their application in a scanning ion muscope

NASA Astrophysics Data System (ADS)

Knapp, Helmut; Rübesame, Detlef; Niedrig, Heinz

1991-07-01

A tungsten wire is electrochemically etched in NaOH to produce tip radii of 4-10 μm for use in liquid-metal ion sources (LMIS). To ensure complete wetting of the needle with the liquid metal (Sn, Ga), the needle has to be annealed at 800-1000°C by electron bombardment in a vacuum. It is then immediately dipped into the liquid metal in the same vacuum chamber. An anode prepared in this way is part of a triode system, followed by an octupole stigmator, an electrostatic einzel lens and the scanning unit. Upon application of a high voltage the liquid metal will form a Taylor cone at the needle tip. In the resulting high electrical field ions are extracted through field evaporation. Typical beam current and spot size values during scanning ion muscope (SIM) operation are 2.5 μA and 10 μm respectively. An Everhart-Thornley detector and a quadrupole mass spectrometer are available to allow analysis of secondary particles emitted from the target.

Flexible holey graphene paper electrodes with enhanced rate capability for energy storage applications.

PubMed

Zhao, Xin; Hayner, Cary M; Kung, Mayfair C; Kung, Harold H

2011-11-22

The unique combination of high surface area, high electrical conductivity and robust mechanical integrity has attracted great interest in the use of graphene sheets for future electronics applications. Their potential applications for high-power energy storage devices, however, are restricted by the accessible volume, which may be only a fraction of the physical volume, a consequence of the compact geometry of the stack and the ion mobility. Here we demonstrated that remarkably enhanced power delivery can be realized in graphene papers for the use in Li-ion batteries by controlled generation of in-plane porosity via a mechanical cavitation-chemical oxidation approach. These flexible, holey graphene papers, created via facile microscopic engineering, possess abundant ion binding sites, enhanced ion diffusion kinetics, and excellent high-rate lithium-ion storage capabilities, and are suitable for high-performance energy storage devices. © 2011 American Chemical Society

Simulation of Thermographic Responses of Delaminations in Composites with Quadrupole Method

NASA Technical Reports Server (NTRS)

Winfree, William P.; Zalameda, Joseph N.; Howell, Patricia A.; Cramer, K. Elliott

2016-01-01

The application of the quadrupole method for simulating thermal responses of delaminations in carbon fiber reinforced epoxy composites materials is presented. The method solves for the flux at the interface containing the delamination. From the interface flux, the temperature at the surface is calculated. While the results presented are for single sided measurements, with ash heating, expansion of the technique to arbitrary temporal flux heating or through transmission measurements is simple. The quadrupole method is shown to have two distinct advantages relative to finite element or finite difference techniques. First, it is straight forward to incorporate arbitrary shaped delaminations into the simulation. Second, the quadrupole method enables calculation of the thermal response at only the times of interest. This, combined with a significant reduction in the number of degrees of freedom for the same simulation quality, results in a reduction of the computation time by at least an order of magnitude. Therefore, it is a more viable technique for model based inversion of thermographic data. Results for simulations of delaminations in composites are presented and compared to measurements and finite element method results.

Buffer Gas Modifiers Effect Resolution in Ion Mobility Spectrometry through Selective Ion-Molecule Clustering Reactions

PubMed Central

Fernández-Maestre, Roberto; Wu, Ching; Hill, Herbert H.

2013-01-01

RATIONALE When polar molecules (modifiers) are introduced into the buffer gas of an ion mobility spectrometer, most ion mobilities decrease due to the formation of ion-modifier clusters. METHODS We used ethyl lactate, nitrobenzene, 2-butanol, and tetrahydrofuran-2-carbonitrile as buffer gas modifiers and electrospray ionization ion mobility spectrometry (IMS) coupled to quadrupole mass spectrometry. Ethyl lactate, nitrobenzene, and tetrahydrofuran-2-carbonitrile had not been tested as buffer gas modifiers and 2-butanol had not been used with basic amino acids. RESULTS The ion mobilities of several diamines (arginine, histidine, lysine, and atenolol) were not affected or only slightly reduced when these modifiers were introduced into the buffer gas (3.4% average reduction in an analyte's mobility for the three modifiers). Intramolecular bridges caused limited change in the ion mobilities of diamines when modifiers were added to the buffer gas; these bridges hindered the attachment of modifier molecules to the positive charge of ions and delocalized the charge, which deterred clustering. There was also a tendency towards large changes in ion mobility when the mass of the analyte decreased; ethanolamine, the smallest compound tested, had the largest reduction in ion mobility with the introduction of modifiers into the buffer gas (61%). These differences in mobilities, together with the lack of shift in bridge-forming ions, were used to separate ions that overlapped in IMS, such as isoleucine and lysine, and arginine and phenylalanine, and made possible the prediction of separation or not of overlapping ions. CONCLUSIONS The introduction of modifiers into the buffer gas in IMS can selectively alter the mobilities of analytes to aid in compound identification and/or enable the separation of overlapping analyte peaks. PMID:22956312

Sideband cooling of small ion Coulomb crystals in a Penning trap

NASA Astrophysics Data System (ADS)

Stutter, G.; Hrmo, P.; Jarlaud, V.; Joshi, M. K.; Goodwin, J. F.; Thompson, R. C.

2018-03-01

We have recently demonstrated the laser cooling of a single ? ion to the motional ground state in a Penning trap using the resolved-sideband cooling technique on the electric quadrupole transition S? D?. Here we report on the extension of this technique to small ion Coulomb crystals made of two or three ? ions. Efficient cooling of the axial motion is achieved outside the Lamb-Dicke regime on a two-ion string along the magnetic field axis as well as on two- and three-ion planar crystals. Complex sideband cooling sequences are required in order to cool both axial degrees of freedom simultaneously. We measure a mean excitation after cooling of ? for the centre of mass (COM) mode and ? for the breathing mode of the two-ion string with corresponding heating rates of 11(2) ? and ? at a trap frequency of 162 kHz. The occupation of the ground state of the axial modes (?) is above 75% for the two-ion planar crystal and the associated heating rates 0.8(5) ? at a trap frequency of 355 kHz.

The front end test stand high performance H- ion source at Rutherford Appleton Laboratory.

PubMed

Faircloth, D C; Lawrie, S; Letchford, A P; Gabor, C; Wise, P; Whitehead, M; Wood, T; Westall, M; Findlay, D; Perkins, M; Savage, P J; Lee, D A; Pozimski, J K

2010-02-01

The aim of the front end test stand (FETS) project is to demonstrate that chopped low energy beams of high quality can be produced. FETS consists of a 60 mA Penning Surface Plasma Ion Source, a three solenoid low energy beam transport, a 3 MeV radio frequency quadrupole, a chopper, and a comprehensive suite of diagnostics. This paper details the design and initial performance of the ion source and the laser profile measurement system. Beam current, profile, and emittance measurements are shown for different operating conditions.

Fullerene-like MoSe2 nanoparticles-embedded CNT balls with excellent structural stability for highly reversible sodium-ion storage

NASA Astrophysics Data System (ADS)

Choi, Seung Ho; Kang, Yun Chan

2016-02-01

Three-dimensional (3D) porous-structured carbon nanotube (CNT) balls embedded with fullerene-like MoSe2 nanocrystals were successfully prepared by the spray pyrolysis process and subsequent selenization process. The MoO2-CNT composite balls prepared by spray pyrolysis transformed into the fullerene-like MoSe2/CNT (F-MoSe2/CNT) composite balls by the selenization process. The F-MoSe2/CNT composite balls exhibited superior sodium-ion storage properties to bare MoSe2 and MoSe2/CNT with a filled structure (N-MoSe2/CNT), both of which were prepared as comparison samples. The 250th discharge capacities of bare MoSe2, N-MoSe2/CNT composite balls, and F-MoSe2/CNT composite balls were 144, 200, and 296 mA h g-1, respectively, at a high current density of 1.0 A g-1, and their capacity retentions measured from the second cycle were 37%, 66%, and 83%, respectively. The 10th discharge capacities of the F-MoSe2/CNT composite balls were 382, 346, 310, 280, and 255 mA h g-1 at current densities of 0.2, 0.5, 1.5, 3.0, and 5.0 A g-1, respectively. The synergetic effect of the fullerene-like MoSe2 nanocrystals with ultrafine sizes and the CNT balls with a tangled and 3D porous structure and high electrical conductivity resulted in excellent sodium-ion storage properties of the F-MoSe2/CNT composite balls.Three-dimensional (3D) porous-structured carbon nanotube (CNT) balls embedded with fullerene-like MoSe2 nanocrystals were successfully prepared by the spray pyrolysis process and subsequent selenization process. The MoO2-CNT composite balls prepared by spray pyrolysis transformed into the fullerene-like MoSe2/CNT (F-MoSe2/CNT) composite balls by the selenization process. The F-MoSe2/CNT composite balls exhibited superior sodium-ion storage properties to bare MoSe2 and MoSe2/CNT with a filled structure (N-MoSe2/CNT), both of which were prepared as comparison samples. The 250th discharge capacities of bare MoSe2, N-MoSe2/CNT composite balls, and F-MoSe2/CNT composite balls were 144

Power System and Energy Storage Models for Laser Integration on Naval Platforms

DTIC Science & Technology

2015-09-30

Batteries The model for the system with lithium - ion battery storage is practically identical to the one with lead-acid batteries. The battery used in...supply 60, 6-second laser shots at a 50% duty cycle before depletion, and is comparable to the lead acid and lithium - ion battery storage. Figure 7

Gyroscopic effect in low-energy classical capture of a rotating quadrupolar diatom by an ion.

PubMed

Dashevskaya, Elena; Litvin, Iliya; Nikitin, Evgueni

2006-03-09

The low-energy capture of homonuclear diatoms by ions is due mainly to the long-range part of the interpartner potential with leading terms that correspond to charge-quadrupole interaction and charge-induced dipole interaction. The capture dynamics is described by the perturbed-rotor adiabatic potentials and the Coriolis interaction between manifold of states that belong to a given value of the intrinsic angular momentum. When the latter is large enough, it can noticeably affect the capture cross section calculated in the adiabatic channel approximation due to the gyroscopic property of a rotating diatom. This paper presents the low-energy (low-temperature) state-selected partial and mean capture cross sections (rate coefficients) for the charge-quadrupole interaction that include the gyroscopic effect (decoupling of intrinsic angular momentum from the collision axis), quantum correction for the diatom rotation, and the correction for the charge-induced dipole interaction. These results complement recent studies on the gyroscopic effect in the quantum regime of diatom-ion capture (Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E.; Troe, J. J. Chem. Phys. 2004, 120, 9989-9997).

Working Around Cosmic Variance: Remote Quadrupole Measurements of the CMB

NASA Astrophysics Data System (ADS)

Adil, Arsalan; Bunn, Emory

2018-01-01

Anisotropies in the CMB maps continue to revolutionize our understanding of the Cosmos. However, the statistical interpretation of these anisotropies is tainted with a posteriori statistics. The problem is particularly emphasized for lower order multipoles, i.e. in the cosmic variance regime of the power spectrum. Naturally, the solution lies in acquiring a new data set – a rather difficult task given the sample size of the Universe.The CMB temperature, in theory, depends on: the direction of photon propagation, the time at which the photons are observed, and the observer’s location in space. In existing CMB data, only the first parameter varies. However, as first pointed out by Kamionkowski and Loeb, a solution lies in making the so-called “Remote Quadrupole Measurements” by analyzing the secondary polarization produced by incoming CMB photons via the Sunyaev-Zel’dovich (SZ) effect. These observations allow us to measure the projected CMB quadrupole at the location and look-back time of a galaxy cluster.At low redshifts, the remote quadrupole is strongly correlated to the CMB anisotropy from our last scattering surface. We provide here a formalism for computing the covariance and relation matrices for both the two-point correlation function on the last scattering surface of a galaxy cluster and the cross correlation of the remote quadrupole with the local CMB. We then calculate these matrices based on a fiducial model and a non-standard model that suppresses power at large angles for ~104 clusters up to z=2. We anticipate to make a priori predictions of the differences between our expectations for the standard and non-standard models. Such an analysis is timely in the wake of the CMB S4 era which will provide us with an extensive SZ cluster catalogue.

Ultra-high-performance supercritical fluid chromatography with quadrupole-time-of-flight mass spectrometry (UHPSFC/QTOF-MS) for analysis of lignin-derived monomeric compounds in processed lignin samples.

PubMed

Prothmann, Jens; Sun, Mingzhe; Spégel, Peter; Sandahl, Margareta; Turner, Charlotta

2017-12-01

The conversion of lignin to potentially high-value low molecular weight compounds often results in complex mixtures of monomeric and oligomeric compounds. In this study, a method for the quantitative and qualitative analysis of 40 lignin-derived compounds using ultra-high-performance supercritical fluid chromatography coupled to quadrupole-time-of-flight mass spectrometry (UHPSFC/QTOF-MS) has been developed. Seven different columns were explored for maximum selectivity. Makeup solvent composition and ion source settings were optimised using a D-optimal design of experiment (DoE). Differently processed lignin samples were analysed and used for the method validation. The new UHPSFC/QTOF-MS method showed good separation of the 40 compounds within only 6-min retention time, and out of these, 36 showed high ionisation efficiency in negative electrospray ionisation mode. Graphical abstract A rapid and selective method for the quantitative and qualitative analysis of 40 lignin-derived compounds using ultra-high-performance supercritical fluid chromatography coupled to quadrupole-time-of-flight mass spectrometry (UHPSFC/QTOF-MS).

Symmetric Electrodes for Electrochemical Energy-Storage Devices.

PubMed

Zhang, Lei; Dou, Shi Xue; Liu, Hua Kun; Huang, Yunhui; Hu, Xianluo

2016-12-01

Increasing environmental problems and energy challenges have so far attracted urgent demand for developing green and efficient energy-storage systems. Among various energy-storage technologies, sodium-ion batteries (SIBs), electrochemical capacitors (ECs) and especially the already commercialized lithium-ion batteries (LIBs) are playing very important roles in the portable electronic devices or the next-generation electric vehicles. Therefore, the research for finding new electrode materials with reduced cost, improved safety, and high-energy density in these energy storage systems has been an important way to satisfy the ever-growing demands. Symmetric electrodes have recently become a research focus because they employ the same active materials as both the cathode and anode in the same energy-storage system, leading to the reduced manufacturing cost and simplified fabrication process. Most importantly, this feature also endows the symmetric energy-storage system with improved safety, longer lifetime, and ability of charging in both directions. In this Progress Report, we provide the comprehensive summary and comment on different symmetric electrodes and focus on the research about the applications of symmetric electrodes in different energy-storage systems, such as the above mentioned SIBs, ECs and LIBs. Further considerations on the possibility of mass production have also been presented.

A versatile triple radiofrequency quadrupole system for cooling, mass separation and bunching of exotic nuclei

NASA Astrophysics Data System (ADS)

Haettner, Emma; Plaß, Wolfgang R.; Czok, Ulrich; Dickel, Timo; Geissel, Hans; Kinsel, Wadim; Petrick, Martin; Schäfer, Thorsten; Scheidenberger, Christoph

2018-02-01

The combination of in-flight separation with a gas-filled stopping cell has opened a new field for experiments with exotic nuclei. For instance, at the SHIP/SHIPTRAP facility at GSI in Darmstadt high-precision mass measurements of rare nuclei have been successfully performed. In order to extend the reach of SHIPTRAP to exotic nuclei that are produced together with high rates of unwanted reaction products, a novel compact radio frequency quadrupole (RFQ) system has been developed. It implements ion cooling, identification and separation according to mass numbers and bunching capabilities. The system has a total length of one meter only and consists of an RFQ cooler, an RFQ mass filter and an RFQ buncher. A mass resolving power (FWHM) of 240 at a transmission efficiency of 90% has been achieved. The suppression of contaminants from neighboring masses by more than four orders of magnitude has been demonstrated at rates exceeding 106 ions/s. A longitudinal emittance of 0.45 eV μs has been achieved with the RFQ buncher, which will enable improved time-of-flight mass spectrometry downstream of the device. With this triple RFQ system the measurement of e.g. N= Z nuclides in the region up to tin will become possible at SHIPTRAP. The technology is also well suited for other rare-isotope facilities with experimental setups behind a stopping cell, such as the fragment separator FRS with the FRS Ion Catcher at GSI.

Advanced materials for energy storage.

PubMed

Liu, Chang; Li, Feng; Ma, Lai-Peng; Cheng, Hui-Ming

2010-02-23

Popularization of portable electronics and electric vehicles worldwide stimulates the development of energy storage devices, such as batteries and supercapacitors, toward higher power density and energy density, which significantly depends upon the advancement of new materials used in these devices. Moreover, energy storage materials play a key role in efficient, clean, and versatile use of energy, and are crucial for the exploitation of renewable energy. Therefore, energy storage materials cover a wide range of materials and have been receiving intensive attention from research and development to industrialization. In this Review, firstly a general introduction is given to several typical energy storage systems, including thermal, mechanical, electromagnetic, hydrogen, and electrochemical energy storage. Then the current status of high-performance hydrogen storage materials for on-board applications and electrochemical energy storage materials for lithium-ion batteries and supercapacitors is introduced in detail. The strategies for developing these advanced energy storage materials, including nanostructuring, nano-/microcombination, hybridization, pore-structure control, configuration design, surface modification, and composition optimization, are discussed. Finally, the future trends and prospects in the development of advanced energy storage materials are highlighted.

Year-2017 nuclear quadrupole moments

NASA Astrophysics Data System (ADS)

Pyykkö, Pekka

2018-05-01

A 'year-2017' set of nuclear quadrupole moments, Q, is presented. Compared to the previous, 'year-2008' set, a major revision of the value, or an improvement of the accuracy is reported for 21H, 37, 3918Ar, 39, 40, 4119K, 6730Zn, 48Cd, 49In, 50Sn (Mössbauer state), 51Sb, 87Fr and 90Th. Slight improvements or valuable reconfirmations exist for 4Be, 6C, 16S, 17Cl, 33As, 35Br, 53I, 54Xe, 56Ba, 57La and 72Hf.

MQXFS1 Quadrupole Fabrication Report

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

Ambrosio, G.; Anerella, M.; Bossert, R.

This report presents the fabrication and QC data of MQXFS1, the first short model of the low-beta quadrupoles (MQXF) for the LHC High Luminosity Upgrade. It describes the conductor, the coils, and the structure that make the MQXFS1 magnet. Qualification tests and non-conformities are also presented and discussed. The fabrication of MQXFS1 was started before the finalization of conductor and coil design for MQXF magnets. Two strand design were used (RRP 108/127 and RRP 132/169). Cable and coil cross-sections were “first generation”.

Experimental investigation of the 2D ion beam profile generated by an ESI octopole-QMS system.

PubMed

Syed, Sarfaraz U A H; Eijkel, Gert B; Kistemaker, Piet; Ellis, Shane; Maher, Simon; Smith, Donald F; Heeren, Ron M A

2014-10-01

In this paper, we have employed an ion imaging approach to investigate the behavior of ions exiting from a quadrupole mass spectrometer (QMS) system that employs a radio frequency octopole ion guide before the QMS. An in-vacuum active pixel detector (Timepix) is employed at the exit of the QMS to image the ion patterns. The detector assembly simultaneously records the ion impact position and number of ions per pixel in every measurement frame. The transmission characteristics of the ion beam exiting the QMS are studied using this imaging detector under different operating conditions. Experimental results confirm that the ion spatial distribution exiting the QMS is heavily influenced by ion injection conditions. Furthermore, ion images from Timepix measurements of protein standards demonstrate the capability to enhance the quality of the mass spectral information and provide a detailed insight in the spatial distribution of different charge states (and hence different m/z) ions exiting the QMS.

The nuclear electric quadrupole moment of antimony from the molecular method.

PubMed

Haiduke, Roberto L A; da Silva, Albérico B F; Visscher, Lucas

2006-08-14

Relativistic Dirac-Coulomb (DC) Hartree-Fock calculations are employed to obtain the analytic electric field gradient (EFG) on the antimony nucleus in the SbN, SbP, SbF, and SbCl molecules. The electronic correlation contribution to the EFGs is included with the DC-CCSD(T) and DC-CCSD-T approaches, also in the four-component framework, using a finite-difference method. The total EFG results, along with the experimental nuclear quadrupole coupling constants from microwave spectroscopy, allow to derive the nuclear quadrupole moments of (121)Sb and (123)Sb, respectively, as -543(11) and -692(14) mb.

Engineering quadrupole magnetic flow sorting for the isolation of pancreatic islets

NASA Astrophysics Data System (ADS)

Kennedy, David J.; Todd, Paul; Logan, Sam; Becker, Matthew; Papas, Klearchos K.; Moore, Lee R.

2007-04-01

Quadrupole magnetic flow sorting (QMS) is being adapted from the separation of suspensions of single cells (<15 μm) to the isolation of pancreatic islets (150-350 μm) for transplant. To achieve this goal, the critical QMS components have been modeled and engineered to optimize the separation process. A flow channel has been designed, manufactured, and tested. The quadrupole magnet assembly has been designed and verified by finite element analysis. Pumps have been selected and verified by test. Test data generated from the pumps and flow channel demonstrate that the fabricated channel and peristaltic pumps fulfill the requirements of successful QMS separation.

Search for Quadrupole Strength in the Electroexcitation of the Delta+ (1232)

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

C. Mertz; C. Vellidis; Ricardo Alarcon

2001-04-01

High precision 1H(e, e'p)pi0 measurements at Q2 = 0.126. (GeV/c)2 are reported, which allow the determination of quadrupole amplitudes in the gamma*N --> Delta transition; they simultaneously test the reliability of electroproduction models. The derived quadrupole-to-dipole (I = 3/2) amplitude ratios, RSM = (-6.5 +/- 0.2stat+sys+/-2.5mod)% and REM = 9-2.1 +/-0.2stat+sys +/-2.0mod)%, are dominated by model error. Previous RSM and REM results should be reconsidered after the model uncertainties associated with the method of their extraction are taken into account.

RF System Requirements for a Medium-Energy Electron-Ion Collider (MEIC) at JLab

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

Rimmer, Robert A; Hannon, Fay E; Guo, Jiquan

2015-09-01

JLab is studying options for a medium energy electron-ion collider that could fit on the JLab site and use CEBAF as a full-energy electron injector. A new ion source, linac and booster would be required, together with collider storage rings for the ions and electrons. In order to achieve the maximum luminosity these will be high-current storage rings with many bunches. We present the high-level RF system requirements for the storage rings, ion booster ring and high-energy ion beam cooling system, and describe the technology options under consideration to meet them. We also present options for staging that might reducemore » the initial capital cost while providing a smooth upgrade path to a higher final energy. The technologies under consideration may also be useful for other proposed storage ring colliders or ultimate light sources.« less

Fabrication of three-dimensionally interconnected nanoparticle superlattices and their lithium-ion storage properties

PubMed Central

Jiao, Yucong; Han, Dandan; Ding, Yi; Zhang, Xianfeng; Guo, Guannan; Hu, Jianhua; Yang, Dong; Dong, Angang

2015-01-01

Three-dimensional superlattices consisting of nanoparticles represent a new class of condensed materials with collective properties arising from coupling interactions between close-packed nanoparticles. Despite recent advances in self-assembly of nanoparticle superlattices, the constituent materials have been limited to those that are attainable as monodisperse nanoparticles. In addition, self-assembled nanoparticle superlattices are generally weakly coupled due to the surface-coating ligands. Here we report the fabrication of three-dimensionally interconnected nanoparticle superlattices with face-centered cubic symmetry without the presynthesis of the constituent nanoparticles. We show that mesoporous carbon frameworks derived from self-assembled supercrystals can be used as a robust matrix for the growth of nanoparticle superlattices with diverse compositions. The resulting interconnected nanoparticle superlattices embedded in a carbon matrix are particularly suitable for energy storage applications. We demonstrate this by incorporating tin oxide nanoparticle superlattices as anode materials for lithium-ion batteries, and the resulting electrochemical performance is attributable to their unique architectures. PMID:25739732

Recent Advances in Porous Carbon Materials for Electrochemical Energy Storage.

PubMed

Wang, Libin; Hu, Xianluo

2018-06-18

Climate change and the energy crisis have promoted the rapid development of electrochemical energy-storage devices. Owing to many intriguing physicochemical properties, such as excellent chemical stability, high electronic conductivity, and a large specific surface area, porous carbon materials have always been considering as a promising candidate for electrochemical energy storage. To date, a wide variety of porous carbon materials based upon molecular design, pore control, and compositional tailoring have been proposed for energy-storage applications. This focus review summarizes recent advances in the synthesis of various porous carbon materials from the view of energy storage, particularly in the past three years. Their applications in representative electrochemical energy-storage devices, such as lithium-ion batteries, supercapacitors, and lithium-ion hybrid capacitors, are discussed in this review, with a look forward to offer some inspiration and guidelines for the exploitation of advanced carbon-based energy-storage materials. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Excited State Atom-Ion Charge-Exchange

NASA Astrophysics Data System (ADS)

Li, Ming; Makrides, Constantinos; Petrov, Alexander; Kotochigova, Svetlana

2017-04-01

We theoretically investigate the exothermic charge-exchange reaction between an excited atom and a ground-state positive ion. In particular, we focus on MOT-excited Ca*(4s4p 1P) atoms colliding with ground-state Yb+ ions, which are under active study by the experimental group of E. Hudson at UCLA. Collisions between an excited atom and an ion are guided by two major contributions to the long-range interaction potentials, the induction C4 /R4 and charge-quadrupole C3 /R3 potentials, and their coupling by the electron-exchange interaction. Our model of these forces leads to close-coupling equations for multiple reaction channels. We find several avoided crossings between the potentials that couple to the nearby asymptotic limits of Yb*+Ca+, some of which can possibly provide large charge exchange rate coefficients above 10-10 cm3 / s. We acknowledge support from the US Army Research Office, MURI Grants W911NF-14-1-0378 and the US National Science Foundation, Grant PHY-1619788.

Dynamics of vortex quadrupoles in nonrotating trapped Bose-Einstein condensates

PubMed Central

Yang, Tao; Hu, Zhi-Qiang; Zou, Shan; Liu, Wu-Ming

2016-01-01

Dynamics of vortex clusters is essential for understanding diverse superfluid phenomena. In this paper, we examine the dynamics of vortex quadrupoles in a trapped two-dimensional (2D) Bose-Einstein condensate. We find that the movement of these vortex-clusters fall into three distinct regimes which are fully described by the radial positions of the vortices in a 2D isotropic harmonic trap, or by the major radius (minor radius) of the elliptical equipotential lines decided by the vortex positions in a 2D anisotropic harmonic trap. In the “recombination” and “exchange” regimes the quadrupole structure maintains, while the vortices annihilate each other permanently in the “annihilation” regime. We find that the mechanism of the charge flipping in the “exchange” regime and the disappearance of the quadrupole structure in the “annihilation” regime are both through an intermediate state where two vortex dipoles connected through a soliton ring. We give the parameter ranges for these three regimes in coordinate space for a specific initial configuration and phase diagram of the vortex positions with respect to the Thomas-Fermi radius of the condensate. We show that the results are also applicable to systems with quantum fluctuations for the short-time evolution. PMID:27464981

Energy levels and radiative rates for transitions in B-like to F-like Kr ions (Kr XXXII XXVIII)

NASA Astrophysics Data System (ADS)

Aggarwal, K. M.; Keenan, F. P.; Lawson, K. D.

2008-05-01

Energy levels, radiative rates, oscillator strengths, line strengths, and lifetimes have been calculated for transitions in B-like to F-like Kr ions, Kr XXXIII-XXVIII. For the calculations, the fully relativistic GRASP code has been adopted, and results are reported for all electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) transitions among the lowest 125, 236, 272, 226, and 113 levels of Kr XXXII, Kr XXXI, Kr XXX, Kr XXIX, and Kr XXVIII, respectively, belonging to the n ⩽ 3 configurations. Comparisons are made with earlier available theoretical and experimental results, and some discrepancies have been noted and explained.

Durable High-Density Data Storage

NASA Technical Reports Server (NTRS)

Lamartine, Bruce C.; Stutz, Roger A.

1996-01-01

The focus ion beam (FIB) micromilling process for data storage provides a new non-magnetic storage method for archiving large amounts of data. The process stores data on robust materials such as steel, silicon, and gold coated silicon. The storage process was developed to provide a method to insure the long term storage life of data. We estimate that the useful life of data written on silicon or gold-coated silicon to be on the order of a few thousand years without the need to rewrite the data every few years. The process uses an ion beam to carve material from the surface, much like stone cutters in ancient civilizations removed material from stone. The deeper the information is carved into the media, the longer the expected life of the information. The process can record information in three formats: (1) binary at densities of 23 Gbits/square inch, (2) alphanumeric at optical or non-optical density, and (3) graphical at optical and non-optical density. The formats can be mixed on the same media; and thus, it is possible to record, in a human-viewable format, instructions that can be read using an optical microscope. These instructions provide guidance on reading the remaining higher density information.

Ion Energy and Ion Flux Distributions of CF4/Ar/O2 Inductively Coupled Plasmas in a GEC Cell

NASA Technical Reports Server (NTRS)

Rao, M. V. V. S.; Cruden, Brett; Sharma, Surendra; Meyyappan, Meyya

2001-01-01

Knowledge of ion kinetics in plasma processing gas mixtures, such as CF4:Ar:O2, is important for understanding plasma assisted etching and deposition of materials. Ion energies and ion fluxes were measured in this mixture for 80:10:10, 60:20:20, and 40:30:30 mixture ratios in the pressure range of 10-50 mTorr, and at 200 and 300 W of RF power. Ions from plasma, sampled through a 10 micron orifice in the center of the lower plane electrode, were energy and mass analyzed by a combination of electrostatic energy and quadrupole mass filters. CFx(+) (x = 1 - 3), F2(+), F(+), C(+) from CF4, Ar(+) from Ar, and O2(+) and O(+) from O2, and by-product ions SiFx(+)(x = 1 - 3) from etching of quartz coupling window, COFx(+)(x = 1 - 3), CO(+), CO2(+), and OF(+) were detected. In all conditions ion flux decreases with increase of pressure but increase with increase of RF power. Ar(+) signal decreases with increase of pressure while CF3(+), which is the dominant ion at all conditions, increases with increase in pressure. The loss mechanism for Ar(+) and increase of CF3(+) is due to large cross section for Ar(+) + CF4 yields Ar + CF3(+) + F. Ion energies, which range from 15-25 eV depending on plasma operating conditions, are nearly Gaussian. By-product ion signals are higher at lower pressures indicating stronger plasma interaction with quartz window.