Atomistic simulation of defect formation and structure transitions in U-Mo alloys in swift heavy ion irradiation

NASA Astrophysics Data System (ADS)

Kolotova, L. N.; Starikov, S. V.

2017-11-01

In irradiation of swift heavy ions, the defects formation frequently takes place in crystals. High energy transfer into the electronic subsystem and relaxations processes lead to the formation of structural defects and cause specific effects, such as the track formation. There is a large interest to understanding of the mechanisms of defects/tracks formation due to the heating of the electron subsystem. In this work, the atomistic simulation of defects formation and structure transitions in U-Mo alloys in irradiation of swift heavy ions has been carried out. We use the two-temperature atomistic model with explicit account of electron pressure and electron thermal conductivity. This two-temperature model describes ionic subsystem by means of molecular dynamics while the electron subsystem is considered in the continuum approach. The various mechanisms of structure changes in irradiation are examined. In particular, the simulation results indicate that the defects formation may be produced without melting and subsequent crystallization. Threshold stopping power of swift ions for the defects formation in irradiation in the various conditions are calculated.

Single ion induced surface nanostructures: a comparison between slow highly charged and swift heavy ions.

PubMed

Aumayr, Friedrich; Facsko, Stefan; El-Said, Ayman S; Trautmann, Christina; Schleberger, Marika

2011-10-05

This topical review focuses on recent advances in the understanding of the formation of surface nanostructures, an intriguing phenomenon in ion-surface interaction due to the impact of individual ions. In many solid targets, swift heavy ions produce narrow cylindrical tracks accompanied by the formation of a surface nanostructure. More recently, a similar nanometric surface effect has been revealed for the impact of individual, very slow but highly charged ions. While swift ions transfer their large kinetic energy to the target via ionization and electronic excitation processes (electronic stopping), slow highly charged ions produce surface structures due to potential energy deposited at the top surface layers. Despite the differences in primary excitation, the similarity between the nanostructures is striking and strongly points to a common mechanism related to the energy transfer from the electronic to the lattice system of the target. A comparison of surface structures induced by swift heavy ions and slow highly charged ions provides a valuable insight to better understand the formation mechanisms. © 2011 IOP Publishing Ltd

Effect of iron(III) ion on moso bamboo pyrolysis under microwave irradiation.

PubMed

Dong, Qing; Li, Xiangqian; Wang, Zhaoyu; Bi, Yanhong; Yang, Rongling; Zhang, Jinfeng; Luo, Hongzhen; Niu, Miaomiao; Qi, Bo; Lu, Chen

2017-11-01

The effect of iron(III) ion on microwave pyrolysis of moso bamboo was investigated. Hydrofluoric acid washing was used as a pilot process to demineralize moso bamboo in order to eliminate the influences of the other inorganics contained in moso bamboo itself. The results indicated that the addition of iron(III) ion increased the maximal reaction temperatures under microwave condition dependent on the amount of the added iron(III) ion. The production of the non-condensable gases was promoted by the addition of iron(III) ion mainly at the expense of liquid products. Iron(III) ion exhibited the positive effect for syngas production and inhibited the formation of CO 2 and CH 4 . The formation of Fe 2 O 3 and Fe 3 O 4 was found during microwave pyrolysis and the mechanism of the two metallic oxides formation was described in this work. Copyright © 2017 Elsevier Ltd. All rights reserved.

Ion hole formation and nonlinear generation of electromagnetic ion cyclotron waves: THEMIS observations

NASA Astrophysics Data System (ADS)

Shoji, Masafumi; Miyoshi, Yoshizumi; Katoh, Yuto; Keika, Kunihiro; Angelopoulos, Vassilis; Kasahara, Satoshi; Asamura, Kazushi; Nakamura, Satoko; Omura, Yoshiharu

2017-09-01

Electromagnetic plasma waves are thought to be responsible for energy exchange between charged particles in space plasmas. Such an energy exchange process is evidenced by phase space holes identified in the ion distribution function and measurements of the dot product of the plasma wave electric field and the ion velocity. We develop a method to identify ion hole formation, taking into consideration the phase differences between the gyromotion of ions and the electromagnetic ion cyclotron (EMIC) waves. Using this method, we identify ion holes in the distribution function and the resulting nonlinear EMIC wave evolution from Time History of Events and Macroscale Interactions during Substorms (THEMIS) observations. These ion holes are key to wave growth and frequency drift by the ion currents through nonlinear wave-particle interactions, which are identified by a computer simulation in this study.

Effect of Fe 3+ concentration on MWCNTs formation in liquid arcing method

NASA Astrophysics Data System (ADS)

Shervin, Sh.; Gheytani, S.; Simchi, A.

2010-10-01

The formation of multi-walled carbon nanotubes (MWCNTs) during arc discharge in aqueous solutions of Fe 2(SO 4) 3 and FeCl 3 was studied. The concentration of iron ions changed from zero (deionized water) to 0.25 M and the cathodic products were examined by transmission electron microscopy, Raman spectrometry, and thermal gravimetric analysis. The experimental results showed that the crystallinity of MWCNTs is improved by increasing the concentration of iron ions. Nevertheless, the process yield and overall quality of the produced CNTs were significantly affected by iron concentration in the aqueous solution. This observation suggested that there should be an optimum iron concentration at which the formation of MWCNTs is favored. As compared with the sulfate solution, a higher process yield is obtained in the presence of chloride ions in agreement with previous reports.

Evidence for radical anion formation during liquid secondary ion mass spectrometry analysis of oligonucleotides and synthetic oligomeric analogues: a deconvolution algorithm for molecular ion region clusters.

PubMed

Laramée, J A; Arbogast, B; Deinzer, M L

1989-10-01

It is shown that one-electron reduction is a common process that occurs in negative ion liquid secondary ion mass spectrometry (LSIMS) of oligonucleotides and synthetic oligonucleosides and that this process is in competition with proton loss. Deconvolution of the molecular anion cluster reveals contributions from (M-2H).-, (M-H)-, M.-, and (M + H)-. A model based on these ionic species gives excellent agreement with the experimental data. A correlation between the concentration of species arising via one-electron reduction [M.- and (M + H)-] and the electron affinity of the matrix has been demonstrated. The relative intensity of M.- is mass-dependent; this is rationalized on the basis of base-stacking. Base sequence ion formation is theorized to arise from M.- radical anion among other possible pathways.

Atmospheric ions, boreal forests and impacts on climate

NASA Astrophysics Data System (ADS)

Manninen, H. E.; Nieminen, T.; Franchin, A.; Järvinen, E.; Kontkanen, J.; Hirsikko, A.; Hõrrak, U.; Mirme, A.; Tammet, H.; Kerminen, V.-M.; Petäjä, T.; Kulmala, M.

2012-04-01

Aerosol particles play an important role in the Earth's atmosphere and in the climate system: They scatter and absorb solar radiation, facilitate chemical processes, and serve as seeds for cloud formation. The aerosol particles have direct cooling and warming effects on climate (IPCC, 2007). Secondary new particle formation (NPF) is a globally important source of aerosol particles (Kulmala and Kerminen, 2008). Currently, the mechanisms of particle formation and the vapors participating in this process are, however, not truly understood. Several formation and growth mechanisms have been proposed for the very first steps of the process: homogeneous, heterogeneous, ion-induced and kinetic nucleation and activation type cluster growth. Small ions are part of the atmospheric aerosol spectrum, and in atmospheric sciences study of ion-aerosol interactions is essential. Small ions are small molecular clusters carrying a net electric charge. They are produced by ionisation of molecules in the air. Typically the small ion concentrations vary in the range of 100-2000 cm-3 in both polarities (Hirsikko et al., 2011). Ion-induced NPF is limited by the ion production rate, which typically is around 10 ion pairs cm-3s-1 in the boundary layer over the ground. The ion production rate has strong spatial and temporal dependence. The ionisation mechanisms change with altitude: radon and gamma radiation from the ground and galactic cosmic rays dominate close to the Earth's surface, while higher in the free troposphere cosmic rays become the main driving factor. In order to fully explain atmospheric NPF and subsequent growth, we need to measure directly the very initial steps of the formation processes. Air ion spectrometers measure the mobility distributions of charged aerosol particles in the mobility diameter range of 0.8-42 nm (Mirme et al., 2007; Tammet et al., 2011). Neutral cluster and air ion spectrometers measure additionally the mobility distribution of neutral particles larger than 2 nm in diameter by charging the aerosol sample with unipolar corona chargers (Manninen et al., 2009). According to earlier studies, the atmospheric nucleation and cluster activation take place at the mobility diameter range of 1.5-2 nm. Therefore, the ion spectrometers allow direct measurements at exactly the size where atmospheric nucleation takes place. The results indicate that the ion-induced nucleation contributes ~1-30% to the NPF events in most atmospheric conditions (Manninen et al., 2010). In other words, neutral particle formation seems to dominate over ion-mediated mechanisms, at least in the boreal forest conditions. Acknowledgements. This research was supported by the Academy of Finland Center of Excellence program (project number 1118615). Hirsikko, A. et al.: Atmospheric ions and nucleation: a review of observations, Atmos. Chem. Phys., 11, 767-798, 2011. IPCC, Climate Change 2007: The Physical Science Basis, Contribution of Working Group I to the Fourth Assessment Report of the Intergovernmental Panel on Climate Change, Cambridge University Press, Cambridge, UK and New York, NY, USA, 996 pp, 2007. Kulmala, M., and Kerminen, V.-M.: On the growth of atmospheric nanoparticles, Atmos. Res., 90, 132-150, 2008. Manninen, H.E. et al.: Long-term field measurements of charged and neutral clusters using Neutral cluster and Air Ion Spectrometer (NAIS). Boreal Env. Res. 14, 591-605, 2009. Manninen, H.E. et al., EUCAARI ion spectrometer measurements at 12 European sites - analysis of new particle formation events, Atmos. Chem. Phys., 10, 7907-7927, 2010. Mirme, A. et al.: A Wide-range multi-channel Air Ion Spectrometer, Boreal Environ. Res., 12, 247-264, 2007. Tammet, H.: Symmetric inclined grid mobility analyzer for the measurement of charged clusters and fine nanoparticles in atmospheric air. Aerosol Science and Technology, 45, 468 - 479, 2011.

Stratospheric ion and aerosol chemistry and possible links with cirrus cloud microphysics - A critical assessment

NASA Technical Reports Server (NTRS)

Mohnen, Volker A.

1990-01-01

Aspects of stratospheric ion chemistry and physics are assessed as they relate to aerosol formation and the transport of aerosols to upper tropospheric regions to create conditions favorable for cirrus cloud formation. It is found that ion-induced nucleation and other known phase transitions involving ions and sulfuric acid vapor are probably not efficient processes for stratospheric aerosol formation, and cannot compete with condensation of sulfuric acid on preexisting particles of volcanic or meteoritic origin which are larger than about 0.15 micron in radius. Thus, galactic cosmic rays cannot have a significant impact on stratospheric aerosol population. Changes in the stratospheric aerosol burden due to volcanos are up to two orders of magnitude larger than changes in ion densities. Thus, volcanic activity may modulate the radiative properties of cirrus clouds.

In Praise of Thiosulfate.

ERIC Educational Resources Information Center

Tykodi, R. J.

1990-01-01

The use of the thiosulfate ion in teaching the concepts of gas formation, precipitate formation, complex formation, acid-base interaction, redox interaction, time evolution of chemical processes, catalysis, and stoichiometry is discussed. Several demonstrations and activities are detailed. (CW)

Thin Film Deposition Using Energetic Ions

PubMed Central

Manova, Darina; Gerlach, Jürgen W.; Mändl, Stephan

2010-01-01

One important recent trend in deposition technology is the continuous expansion of available processes towards higher ion assistance with the subsequent beneficial effects to film properties. Nowadays, a multitude of processes, including laser ablation and deposition, vacuum arc deposition, ion assisted deposition, high power impulse magnetron sputtering and plasma immersion ion implantation, are available. However, there are obstacles to overcome in all technologies, including line-of-sight processes, particle contaminations and low growth rates, which lead to ongoing process refinements and development of new methods. Concerning the deposited thin films, control of energetic ion bombardment leads to improved adhesion, reduced substrate temperatures, control of intrinsic stress within the films as well as adjustment of surface texture, phase formation and nanotopography. This review illustrates recent trends for both areas; plasma process and solid state surface processes. PMID:28883323

Atomic Rearrangements in Electron Attachment to Laser-Excited Molecules^*

NASA Astrophysics Data System (ADS)

Pinnaduwage, Lal; McCorkle, Dennis

1996-10-01

We report the observation of extensive atomic rearrangements in dissociative electron attachment to triethylamine " (Pinnaduwage and McCorkle, Chem.Phys. Lett. (in press, 1996))" and benzene laser excited to energies above their ionization thresholds. Large signal of "rearranged" negative ions, such as C_3^- (which is observed in both cases), were observed. This is in contrast to negative-ion formation via electron attachment to molecules in their ground states, where "rearranged" negative ions are comparatively weak and have been observed only occasionally. However, formation of "rearranged" positive ions is of common occurrence in the ionization of polyatomic molecules; it is possible that the formation of "rearranged" positive ions in the ionization processes, and the formation of such negative ions via electron attachment to excited states located close to the ionization threshold, are related. * Work supported by the LDRD Program of the Oak Ridge National Laboratory, managed by Lockheed Martin Energy Research Corp. for the US Department of Energy under contract number DE-AC05-96OR22464, and by the National Science Foundation under contract CHE-93113949 with the Univ. of Tenn., Knoxville.

Gas cluster ion beam assisted NiPt germano-silicide formation on SiGe

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

Ozcan, Ahmet S., E-mail: asozcan@us.ibm.com; Lavoie, Christian; Jordan-Sweet, Jean

We report the formation of very uniform and smooth Ni(Pt)Si on epitaxially grown SiGe using Si gas cluster ion beam treatment after metal-rich silicide formation. The gas cluster ion implantation process was optimized to infuse Si into the metal-rich silicide layer and lowered the NiSi nucleation temperature significantly according to in situ X-ray diffraction measurements. This novel method which leads to more uniform films can also be used to control silicide depth in ultra-shallow junctions, especially for high Ge containing devices, where silicidation is problematic as it leads to much rougher interfaces.

Rapid crystallization of externally produced ions in a Penning trap

NASA Astrophysics Data System (ADS)

Murböck, T.; Schmidt, S.; Birkl, G.; Nörtershäuser, W.; Thompson, R. C.; Vogel, M.

2016-10-01

We have studied the cooling dynamics, formation process, and geometric structure of mesoscopic crystals of externally produced magnesium ions in a Penning trap. We present a cooling model and measurements for a combination of buffer gas cooling and laser cooling which has been found to reduce the ion kinetic energy by eight orders of magnitude from several hundreds of eV to μ eV and below within seconds. With ion numbers of the order of 1 ×103 to 1 ×105 , such cooling leads to the formation of ion Coulomb crystals which display a characteristic shell structure in agreement with the theory of non-neutral plasmas. We show the production and characterization of two-species ion crystals as a means of sympathetic cooling of ions lacking a suitable laser-cooling transition.

Formation of Reactive Br Species by Freezing in Solutions of NaBr-Metal-Hydrogen Peroxide

NASA Astrophysics Data System (ADS)

Kinjo, M.; Arakaki, T.

2005-12-01

The role of reactive halogen species (e.g. BrOH) in the destruction of stratospheric ozone is well known and largely understood. In recent years, it became clear that reactive Br species can also play a significant role in tropospheric ozone destruction, but sources of reactive Br species in the troposphere are not well understood. When an aqueous solution is frozen, solutes in the solution are excluded from the ice phase and the solutes are concentrated in the solution phase. Freezing processes cause red-ox reactions in the solution. We tried to understand the effects of freezing processes of solutions on formation of reactive Br species. Hydrogen peroxide (HOOH) and metallic ions were added to a mixing solution of NaBr and allyl alcohol (AA). If reactive Br species are formed, they react with AA, and free Br ion concentration decreases in the solution. When HOOH and Fe(III) or Cu(II) were added to the NaBr and AA solution and frozen, free Br ion concentration decreased. It is possible that OH radical formation from reaction between HOOH and Fe(II) or Cu(I) was induced by freezing processes and the OH radical probably oxidized Br ion to reactive Br species. Study of the effects of pH showed that decrease of Br ion concentration was the highest at pH = 4.0. Freezing processes could be an important source of reactive Br species in high altitude clouds and Polar Regions.

PRECIPITATION OF ZIRCONIUM AND FLUORIDE IONS FROM SOLUTIONS

DOEpatents

Newby, B.J.

1963-06-11

A process is given for removing zirconium and fluorine ions from aqueous solutions also containing uranium(VI). The precipitation is carried out with sodium formate, and the uranium remains in solution. (AEC)

Matrix isolation technique for the study of some factors affecting the partitioning of trace elements. [using vibrational spectroscopy

NASA Technical Reports Server (NTRS)

Grzybowski, J. M.; Allen, R. O.

1974-01-01

The factors that affect the preferred positions of cations in ionic solid solutions were investigated utilizing vibrational spectroscopy. Solid solutions of the sulfate and chromate ions codoped with La(+3) and Ca(+2) in a KBr host lattice were examined as a function of the polyvalent cation concentration. The cation-anion pairing process was found to be random for Ca(+2), whereas the formation of La(+3)-SO4(-2) ion pairs with a C2 sub v bonding geometry is highly preferential to any type of La(+3)-CrO4(-2) ion pair formation. The relative populations of ion pair site configurations are discussed in terms of an energy-entropy competition model which can be applied to the partition of trace elements during magmatic processes.

The parameter influence of ion irradiation on the distribution profile of the defect in silicon films

NASA Astrophysics Data System (ADS)

Shemukhin, A. A.; Balaskshin, Yu. V.; Evseev, A. P.; Chernysh, V. S.

2017-09-01

As silicon is an important element in semiconductor devices, the process of defect formation under ion irradiation in it is studied well enough. Modern electronic components are made on silicon lattices (films) that are 100-300 nm thick (Chernysh et al., 1980; Shemukhin et al., 2012; Ieshkin et al., 2015). However, there are still features to be observed in the process of defect formation in silicon. In our work we investigate the effect of fluence and target temperature on the defect formation in films and bulk silicon samples. To investigate defect formation in the silicon films and bulk silicon samples we present experimental data on Si+ implantation with an energy of 200 keV, fluences range from 5 * 1014 to 5 * 1015 ion/cm2 for a fixed flux 1 μA/cm2 and the substrate temperatures from 150 to 350 K The sample crystallinity was investigated by using the Rutherford backscattering technique (RBS) in channeling and random modes. It is shown that in contrast to bulk silicon for which amorphization is observed at 5 × 1016 ion/cm2, the silicon films on sapphire amorphize at lower critical fluences (1015 ion/cm2). So the amorphization critical fluences depend on the target temperature. In addition it is shown that under similar implantation parameters, the disordering of silicon films under the action of the ion beam is stronger than the bulk silicon.

Microemulsions and Aggregation Formation in Extraction Processes for Used Nuclear Fuel: Thermodynamic and Structural Studies

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

Nilsson, Mikael

Advanced nuclear fuel cycles rely on successful chemical separation of various elements in the used fuel. Numerous solvent extraction (SX) processes have been developed for the recovery and purification of metal ions from this used material. However, the predictability of process operations has been challenged by the lack of a fundamental understanding of the chemical interactions in several of these separation systems. For example, gaps in the thermodynamic description of the mechanism and the complexes formed will make predictions very challenging. Recent studies of certain extraction systems under development and a number of more established SX processes have suggested thatmore » aggregate formation in the organic phase results in a transformation of its selectivity and efficiency. Aggregation phenomena have consistently been interfering in SX process development, and have, over the years, become synonymous with an undesirable effect that must be prevented. This multiyear, multicollaborative research effort was carried out to study solvation and self-organization in non-aqueous solutions at conditions promoting aggregation phenomena. Our approach to this challenging topic was to investigate extraction systems comprising more than one extraction reagent where synergy of the metal ion could be observed. These systems were probed for the existence of stable microemulsions in the organic phase, and a number of high-end characterization tools were employed to elucidate the role of the aggregates in metal ion extraction. The ultimate goal was to find connections between synergy of metal ion extraction and reverse micellar formation. Our main accomplishment for this project was the expansion of the understanding of metal ion complexation in the extraction system combining tributyl phosphate (TBP) and dibutyl phosphoric acid (HDBP). We have found that for this system no direct correlation exists for the metal ion extraction and the formation of aggregates, meaning that the metal ion is not solubilized in a reverse micelle core. Rather we have found solid evidence that the metal ions are extracted and coordinated by the organic ligands as suggested by classic SX theories. However, we have challenged the existence of mixed complexes that have been suggested to exist in this particular extraction system. Most importantly we have generated a wealth of information and trained students on important lab techniques and strengthened the collaboration between the DOE national laboratories and US educational institution involved in this work.« less

Formation of donors in germanium–silicon alloys implanted with hydrogen ions with different energies

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

Pokotilo, Yu. M., E-mail: Pokotilo@bsu.by; Petukh, A. N.; Litvinov, V. V.

2016-08-15

The distributions of hydrogen-containing donors in Ge{sub 1–x}Si{sub x} (0 ≤ x ≤ 0.06) alloys implanted with hydrogen ions with an energy of 200 and 300 keV and a dose of 1 × 10{sup 15} cm{sup –2} are studied. It is established that, at the higher ion energy, the limiting donor concentration after postimplantation heat treatment (275°C) is attained within ~30 min and, at the lower energy, within ~320 min. In contrast to donors formed near the surface, a portion of hydrogen-containing donors formed upon the implantation of ions with the higher energy possess the property of bistability. The limitingmore » donor concentration is independent of the ion energy, but decreases from 1.3 × 10{sup 16} to 1.5 × 10{sup 15} cm{sup –3}, as the Si impurity content in the alloy is increased from x = 0.008 to x = 0.062. It is inferred that the observed differences arise from the participation of the surface in the donor formation process, since the surface significantly influences defect-formation processes involving radiation-induced defects, whose generation accompanies implantation.« less

Synthesis of formamide and isocyanic acid after ion irradiation of frozen gas mixtures

NASA Astrophysics Data System (ADS)

Kaňuchová, Z.; Urso, R. G.; Baratta, G. A.; Brucato, J. R.; Palumbo, M. E.; Strazzulla, G.

2016-01-01

Context. Formamide (NH2HCO) and isocyanic acid (HNCO) have been observed as gaseous species in several astronomical environments such as cometary comae and pre- and proto-stellar objects. A debate is open on the formation route of those molecules, in particular if they are formed by chemical reactions in the gas phase and/or on grains. In this latter case it is relevant to understand if the formation occurs through surface reactions or is induced by energetic processing. Aims: We present arguments that support the formation of formamide in the solid phase by cosmic-ion-induced energetic processing of ices present as mantles of interstellar grains and on comets. Formamides, along with other molecules, are expelled in the gas phase when the physical parameters are appropriate to induce the desorption of ices. Methods: We have performed several laboratory experiments in which ice mixtures (H2O:CH4:N2, H2O:CH4:NH3, and CH3OH:N2) were bombarded with energetic (30-200 keV) ions (H+ or He+). FTIR spectroscopy was performed before, during, and after ion bombardment. In particular, the formation of HNCO and NH2HCO was measured quantiatively. Results: Energetic processing of ice can quantitatively reproduce the amount of NH2HCO observed in cometary comae and in many circumstellar regions. HNCO is also formed, but additional formation mechanisms are requested to quantitatively account for the astronomical observations. Conclusions: We suggest that energetic processing of ices in the pre- and proto-stellar regions and in comets is the main mechanism to produce formamide, which, once it is released in the gas phase because of desorption of ices, is observed in the gas phase in these astrophysical environments.

Study of ND3-enhanced MAR processes in D2-N2 plasmas to induce plasma detachment

NASA Astrophysics Data System (ADS)

Abe, Shota; Chakraborty Thakur, Saikat; Doerner, Russ; Tynan, George

2017-10-01

The Molecular Assisted Recombination (MAR) process is thought to be a main channel of volumetric recombination to induce the plasma detachment operation. Authors have focused on a new plasma recombination process supported by ammonia molecules, which will be formed by impurity seeding of N2 for controlling divertor plasma temperature and heat loads in ITER. This ammonia-enhanced MAR process would occur throughout two steps. In this study, the first step of the new MAR process is investigated in low density plasmas (Ne 1016 m-3, Te 4 eV) fueled by D2 and N2. Ion and neutral densities are measured by a calibrated Electrostatic Quadrupole Plasma (EQP) analyzer, combination of an ion energy analyzer and mass spectrometer. The EQP shows formation of ND3 during discharges. Ion densities calculated by a rate equation model are compared with experimental results. We find that the model can reproduce the observed ion densities in the plasma. The model calculation shows that the dominant neutralization channel of Dx+(x =1-3) ions in the volume is the formation of NDy+(y =3 or 4) throughout charge/D+ exchange reactions with ND3. Furthermore, high density plasmas (Ne 1016 m-3) have been achieved to investigate electron-impact dissociative recombination processes of formed NDy+,which is the second step of this MAR process.

Focused Ion Beam Microscopy of ALH84001 Carbonate Disks

NASA Technical Reports Server (NTRS)

Thomas-Keprta, Kathie L.; Clemett, Simon J.; Bazylinski, Dennis A.; Kirschvink, Joseph L.; McKay, David S.; Vali, Hojatollah; Gibson, Everett K., Jr.; Romanek, Christopher S.

2005-01-01

Our aim is to understand the mechanism(s) of formation of carbonate assemblages in ALH84001. A prerequisite is that a detailed characterization of the chemical and physical properties of the carbonate be established. We present here analyses by transmission electron microscopy (TEM) of carbonate thin sections produced by both focused ion beam (FIB) sectioning and ultramicrotomy. Our results suggest that the formation of ALH84001 carbonate assemblages were produced by considerably more complex process(es) than simple aqueous precipitation followed by partial thermal decomposition as proposed by other investigators [e.g., 1-3].

Transfer of a weakly bound electron in collisions of Rydberg atoms with neutral particles. II. Ion-pair formation and resonant quenching of the Rb(nl) and Ne(nl) States by Ca, Sr, and Ba atoms

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

Narits, A. A.; Mironchuk, E. S.; Lebedev, V. S., E-mail: vlebedev@sci.lebedev.ru

2013-10-15

Electron-transfer processes are studied in thermal collisions of Rydberg atoms with alkaline-earth Ca(4s{sup 2}), Sr(5s{sup 2}), and Ba(6s{sup 2}) atoms capable of forming negative ions with a weakly bound outermost p-electron. We consider the ion-pair formation and resonant quenching of highly excited atomic states caused by transitions between Rydberg covalent and ionic terms of a quasi-molecule produced in collisions of particles. The contributions of these reaction channels to the total depopulation cross section of Rydberg states of Rb(nl) and Ne(nl) atoms as functions of the principal quantum number n are compared for selectively excited nl-levels with l Much-Less-Than n andmore » for states with large orbital quantum numbers l = n - 1, n - 2. It is shown that the contribution from resonant quenching dominates at small values of n, and the ion-pair formation process begins to dominate with increasing n. The values and positions of the maxima of cross sections for both processes strongly depend on the electron affinity of an alkaline-earth atom and on the orbital angular momentum l of a highly excited atom. It is shown that in the case of Rydberg atoms in states with large l {approx} n - 1, the rate constants of ion-pair formation and collisional quenching are considerably lower than those for nl-levels with l Much-Less-Than n.« less

SEPARATION OF PLUTONYL IONS

DOEpatents

Connick, R.E.; McVey, Wm.H.

1958-07-15

A process is described for separating plutonyl ions from the acetate ions with which they are associated in certaln carrier precipitation methods of concentrating plutonium. The method consists in adding alkaline earth metal ions and subsequently alkalizing the solution, causing formation of an alkaltne earth plutonate precipitate. Barium hydroxide is used in a preferred embodiment since it provides alkaline earth metal ion and alkalizes the solution in one step forming insoluble barium platonate.

Formation of silicon nanodots via ion beam sputtering of ultrathin gold thin film coatings on Si

PubMed Central

2011-01-01

Ion beam sputtering of ultrathin film Au coatings used as a physical catalyst for self-organization of Si nanostructures has been achieved by tuning the incident particle energy. This approach holds promise as a scalable nanomanufacturing parallel processing alternative to candidate nanolithography techniques. Structures of 11- to 14-nm Si nanodots are formed with normal incidence low-energy Ar ions of 200 eV and fluences above 2 × 1017 cm-2. In situ surface characterization during ion irradiation elucidates early stage ion mixing migration mechanism for nanodot self-organization. In particular, the evolution from gold film islands to the formation of ion-induced metastable gold silicide followed by pure Si nanodots formed with no need for impurity seeding. PMID:21711934

Method for Continuous Monitoring of Electrospray Ion Formation

NASA Astrophysics Data System (ADS)

Metzler, Guille; Crathern, Susan; Bachmann, Lorin; Fernández-Metzler, Carmen; King, Richard

2017-10-01

A method for continuously monitoring the performance of electrospray ionization without the addition of hardware or chemistry to the system is demonstrated. In the method, which we refer to as SprayDx, cluster ions with solvent vapor natively formed by electrospray are followed throughout the collection of liquid chromatography-selected reaction monitoring data. The cluster ion extracted ion chromatograms report on the consistency of the ion formation and detection system. The data collected by the SprayDx method resemble the data collected for postcolumn infusion of analyte. The response of the cluster ions monitored reports on changes in the physical parameters of the ion source such as voltage and gas flow. SprayDx is also observed to report on ion suppression in a fashion very similar to a postcolumn infusion of analyte. We anticipate the method finding utility as a continuous readout on the performance of electrospray and other atmospheric pressure ionization processes. [Figure not available: see fulltext.

Contact ion pair formation between hard acids and soft bases in aqueous solutions observed with 2DIR spectroscopy.

PubMed

Sun, Zheng; Zhang, Wenkai; Ji, Minbiao; Hartsock, Robert; Gaffney, Kelly J

2013-12-12

The interaction of charged species in aqueous solution has important implications for chemical, biological, and environmental processes. We have used 2DIR spectroscopy to study the equilibrium dynamics of thiocyanate chemical exchange between free ion (NCS(-)) and contact ion pair configurations (MNCS(+)), where M(2+) = Mg(2+) or Ca(2+). Detailed studies of the influence of anion concentration and anion speciation show that the chemical exchange observed with the 2DIR measurements results from NCS(-) exchanging with other anion species in the first solvation shell surrounding Mg(2+) or Ca(2+). The presence of chemical exchange in the 2DIR spectra provides an indirect, but robust, determinant of contact ion pair formation. We observe preferential contact ion pair formation between soft Lewis base anions and hard Lewis acid cations. This observation cannot be easily reconciled with Pearson's acid-base concept or Collins' Law of Matching Water Affinities. The anions that form contact ion pairs also correspond to the ions with an affinity for water and protein surfaces, so similar physical and chemical properties may control these distinct phenomena.

Two competing ionization processes in ESI-MS analysis of N-(1,3-diphenylallyl)benzenamines: formation of the unusual [M-H]+ ion versus the regular [M+H]+ ion.

PubMed

Fang, Liwen; Dong, Cheng; Guo, Cheng; Xu, Jianxing; Liu, Qiaoling; Qu, Zhirong; Jiang, Kezhi

2018-06-01

A series of N-(1,3-diphenylallyl)benzenamine derivatives (M) were investigated by electrospray ionization mass spectrometry in the positive-ion mode. Both the anomalous [M-H] + and the regular [M+H] + were observed in the ESI mass spectra. The occurrence of [M-H] + has been supported by accurate mass spectrometry, liquid chromatography mass spectrometry, and tandem mass spectrometry analysis. Calculation results indicated that formation of [M-H] + is attributed to the ion-molecule reaction of M with the protonated ESI solvent molecule (e.g. CH 3 OH 2 + ) via hydride abstraction from a tertiary C sp3 -H. The competing ionization processes leading to [M-H] + or [M+H] + were significantly affected by the concentration of formic acid in the electrospray ionization solvent and the proton affinity of the N atom.

Heavy Ion Formation in Titan's Ionosphere: Magnetospheric Introduction of Free Oxygen and Source of Titan's Aerosols?

NASA Technical Reports Server (NTRS)

Sittler, E. C., Jr.; Hartle, R. E.; Cooper, J. F.; Johnson, R. E.; Coates, A.; dePater, imke; Strom, Daphne; Simoes, F.; Steele, A.; Robb, F.

2007-01-01

With the recent discovery of heavy ions, positive and negative, by the Cassini Plasma Spectrometer (CAPS) instrument in Titan's ionosphere, it reveals new possibilities for aerosol formation at Titan and the introduction of free oxygen to the aerosol chemistry from Saturn's magnetosphere with Enceladus as the primary oxygen source. One can estimate whether the heavy ions in the ionosphere are of sufficient number to account for all the aerosols, under what conditions are favorable for heavy ion formation and how they are introduced as seed particles deeper in Titan's atmosphere where the aerosols form and eventually find themselves on Titan's surface where unknown chemical processes can take place. Finally, what are the possibilities with regard to their chemistry on the surface with some free oxygen present in their seed particles?

Removal of disinfection by-product precursors by coagulation and an innovative suspended ion exchange process.

PubMed

Metcalfe, David; Rockey, Chris; Jefferson, Bruce; Judd, Simon; Jarvis, Peter

2015-12-15

This investigation aimed to compare the disinfection by-product formation potentials (DBPFPs) of three UK surface waters (1 upland reservoir and 2 lowland rivers) with differing characteristics treated by (a) a full scale conventional process and (b) pilot scale processes using a novel suspended ion exchange (SIX) process and inline coagulation (ILCA) followed by ceramic membrane filtration (CMF). Liquid chromatography-organic carbon detection analysis highlighted clear differences between the organic fractions removed by coagulation and suspended ion exchange. Pretreatments which combined SIX and coagulation resulted in significant reductions in dissolved organic carbon (DOC), UV absorbance (UVA), trihalomethane and haloacetic acid formation potential (THMFP, HAAFP), in comparison with the SIX or coagulation process alone. Further experiments showed that in addition to greater overall DOC removal, the processes also reduced the concentration of brominated DBPs and selectively removed organic compounds with high DBPFP. The SIX/ILCA/CMF process resulted in additional removals of DOC, UVA, THMFP, HAAFP and brominated DBPs of 50, 62, 62, 62% and 47% respectively compared with conventional treatment. Copyright © 2015. Published by Elsevier Ltd.

Nanopatterning of metal-coated silicon surfaces via ion beam irradiation: Real time x-ray studies reveal the effect of silicide bonding

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

El-Atwani, Osman; Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907; Gonderman, Sean

We investigated the effect of silicide formation on ion-induced nanopatterning of silicon with various ultrathin metal coatings. Silicon substrates coated with 10 nm Ni, Fe, and Cu were irradiated with 200 eV argon ions at normal incidence. Real time grazing incidence small angle x-ray scattering (GISAXS) and x-ray fluorescence (XRF) were performed during the irradiation process and real time measurements revealed threshold conditions for nanopatterning of silicon at normal incidence irradiation. Three main stages of the nanopatterning process were identified. The real time GISAXS intensity of the correlated peaks in conjunction with XRF revealed that the nanostructures remain for amore » time period after the removal of the all the metal atoms from the sample depending on the binding energy of the metal silicides formed. Ex-situ XPS confirmed the removal of all metal impurities. In-situ XPS during the irradiation of Ni, Fe, and Cu coated silicon substrates at normal incidence demonstrated phase separation and the formation of different silicide phases that occur upon metal-silicon mixing. Silicide formation leads to nanostructure formation due the preferential erosion of the non-silicide regions and the weakening of the ion induced mass redistribution.« less

Sources and formation processes of water-soluble dicarboxylic acids, ω-oxocarboxylic acids, α-dicarbonyls, and major ions in summer aerosols from eastern central India

NASA Astrophysics Data System (ADS)

Deshmukh, Dhananjay K.; Kawamura, Kimitaka; Deb, Manas K.; Boreddy, Suresh K. R.

2017-03-01

The sources and formation processes of dicarboxylic acids are still under investigation. Size-segregated aerosol (nine-size) samples collected in the urban site (Raipur: 21.2°N and 82.3°E) in eastern central India during summer of 2013 were measured for water-soluble diacids (C2-C12), ω-oxoacids (ωC2-ωC9), α-dicarbonyls (C2-C3), and inorganic ions to better understand their sources and formation processes. Diacids showed the predominance of oxalic acid (C2), whereas ω-oxoacids showed the predominance of glyoxylic acid (ωC2), and glyoxal (Gly) was a major α-dicarbonyl in all the sizes. Diacids, ω-oxoacids, and α-dicarbonyls as well as SO42

Effect of Si on DC arc plasma generation from Al-Cr and Al-Cr-Si cathodes used in oxygen

NASA Astrophysics Data System (ADS)

Zhirkov, I.; Landälv, L.; Göthelid, E.; Ahlgren, M.; Eklund, P.; Rosen, J.

2017-02-01

Al2O3 alloyed with Cr is an important material for the tooling industry. It can be synthesized from an arc discharge using Al-Cr cathodes in an oxygen atmosphere. Due to formation of Al-rich oxide islands on the cathode surface, the arc process stability is highly sensitive to oxygen pressure. For improved stability, the use of Al0.70Cr0.25Si0.05 cathodes has previously been suggested, where Si may reduce island formation. Here, we have investigated the effect of Si by comparing plasma generation and thin film deposition from Al0.7Cr0.3 and Al0.7Cr0.25Si0.05 cathodes. Plasma ion composition, ion energies, ion charge states, neutral species, droplet formation, and film composition have been characterized at different O2 flow rates for arc currents of 60 and 90 A. Si and related compounds are detected in plasma ions and in plasma neutrals. Scanning electron microscopy and energy dispersive X-ray analysis show that the cathode composition and the film composition are the same, with Si present in droplets as well. The effect of Si on the process stability, ion energies, and ion charge states is found to be negligible compared to that of the arc current. The latter is identified as the most relevant parameter for tuning the properties of the reactive discharge. The present work increases the fundamental understanding of plasma generation in a reactive atmosphere, and provides input for the choice of cathode composition and process parameters in reactive DC arc synthesis.

Theory of the formation of the electric double layer at the ion exchange membrane-solution interface.

PubMed

Moya, A A

2015-02-21

This work aims to extend the study of the formation of the electric double layer at the interface defined by a solution and an ion-exchange membrane on the basis of the Nernst-Planck and Poisson equations, including different values of the counter-ion diffusion coefficient and the dielectric constant in the solution and membrane phases. The network simulation method is used to obtain the time evolution of the electric potential, the displacement electric vector, the electric charge density and the ionic concentrations at the interface between a binary electrolyte solution and a cation-exchange membrane with total co-ion exclusion. The numerical results for the temporal evolution of the interfacial electric potential and the surface electric charge are compared with analytical solutions derived in the limit of the shortest times by considering the Poisson equation for a simple cationic diffusion process. The steady-state results are justified from the Gouy-Chapman theory for the diffuse double layer in the limits of similar and high bathing ionic concentrations with respect to the fixed-charge concentration inside the membrane. Interesting new physical insights arise from the interpretation of the process of the formation of the electric double layer at the ion exchange membrane-solution interface on the basis of a membrane model with total co-ion exclusion.

Biomimetic fabrication of materials: the minimalist approach

NASA Astrophysics Data System (ADS)

Lahiri, Joydeep; Xu, Guofeng; Lee, Tu; Dabbs, Daniel M.; Yao, Nan; Aksay, Ilhan A.; Groves, John T.

1996-02-01

The interfacial chemistry between inorganic ceramics and defined organic surfaces is the focus of intense investigation. Partially compressed Langmuir-Blodgett monolayers of anionic porphyrins have been used as modified nucleation sites for calcium carbonate. The porphyrin monolayer has an ordered array of carboxylates, and hence the system serves as a minimalist template for the modeling of complex biogenic acidic glycoproteins for biomineralization. The initial results suggest the formation of calcite with morphologically distinct calcitic rhombs with truncated, 3-edged corners and intricately articulated facial cavities. Stearic acid monolayers yield distinctly different calcite crystals, indicative that the geometrically defined carboxylate array is probably important. Phosphatidylcholine vesicles have been used as a tool for the formation of membrane encapsulated iron-oxides. Gramicindin A ion channels have been embedded in vesicles to kinetically alter the formation and growth of iron oxides, starting with intravesicular ferrous chloride. The results indicate that the presence of ion channels lead to the formation of magnetite vis-a-vis maghemite formation in vesicles lacking the ion channels. The use of ion channels has important implications in probable signal transduction processes during biomineralization pathways.

Thermal Ion Transport on the Moon and the Formation of the Lunar Swirls

NASA Technical Reports Server (NTRS)

Keller, John W.; Killen, R. M.; Stubbs, T. J.; Farrell, W. M.; Halekas, J. S.

2011-01-01

The bright "swirl" features observed on the lunar surface are generally associated with crustal magnetic anomalies. Prominent explanations that invoke these fields include: magnetic shielding in the form of a mini-magnetosphere, which impedes space weathering by the solar wind; magnetically controlled dust transport; and cometary or asteroidal impacts, that could result in shock magnetization with concomitant formation of the swirls. Here we consider another possibility in which the ambient magnetic and electric fields can transport and channel secondary ions produced by micrometeorite or solar wind ion impacts. We use a simplified model of the fields, which incorporates a two-dipole magnetic field model for Reiner Gamma, and typical solar wind conditions. We will present preliminarily results suggesting that ions created over significant regions of the lunar surface can be transported under the influence of local and interplanetary electromagnetic fields to narrow areas ncar arcas of high crustal magnetic field strength. The flux of these focused ions may be of sufficient intensity to chemically process (or otherwise bleach) the surface leading to the formation of the high albedo component of the lunar swirls. The theory is appealing since through a lensing effect, it is possible that this flux is sufficient to overcome other space weathering processes which would otherwise tend to erase the features. Also, with relatively low energy ions, and consistent with the observed focusing, the ion gyro radii in the local magnetic fields is small enough to resolve the swirls.

Formation of TiO2 nanorings due to rapid thermal annealing of swift heavy ion irradiated films.

PubMed

Thakurdesai, Madhavi; Sulania, I; Narsale, A M; Kanjilal, D; Bhattacharyya, Varsha

2008-09-01

Amorphous thin films of TiO2 deposited by Pulsed Laser Deposition (PLD) method are irradiated by Swift Heavy Ion (SHI) beam. The irradiated films are subsequently annealed by Rapid Thermal Annealing (RTA) method. Atomic Force Microscopy (AFM) study reveals formation of nano-rings on the surface after RTA processing. Phase change is identified by Glancing Angle X-ray Diffraction (GAXRD) and Raman spectroscopy. Optical characterisation is carried out by UV-VIS absorption spectroscopy. Though no shift of absorption edge is observed after irradiation, RTA processing does show redshift.

Nano-SiC region formation in (100) Si-on-insulator substrate: Optimization of hot-C+-ion implantation process to improve photoluminescence intensity

NASA Astrophysics Data System (ADS)

Mizuno, Tomohisa; Omata, Yuhsuke; Kanazawa, Rikito; Iguchi, Yusuke; Nakada, Shinji; Aoki, Takashi; Sasaki, Tomokazu

2018-04-01

We experimentally studied the optimization of the hot-C+-ion implantation process for forming nano-SiC (silicon carbide) regions in a (100) Si-on-insulator substrate at various hot-C+-ion implantation temperatures and C+ ion doses to improve photoluminescence (PL) intensity for future Si-based photonic devices. We successfully optimized the process by hot-C+-ion implantation at a temperature of about 700 °C and a C+ ion dose of approximately 4 × 1016 cm-2 to realize a high intensity of PL emitted from an approximately 1.5-nm-thick C atom segregation layer near the surface-oxide/Si interface. Moreover, atom probe tomography showed that implanted C atoms cluster in the Si layer and near the oxide/Si interface; thus, the C content locally condenses even in the C atom segregation layer, which leads to SiC formation. Corrector-spherical aberration transmission electron microscopy also showed that both 4H-SiC and 3C-SiC nanoareas near both the surface-oxide/Si and buried-oxide/Si interfaces partially grow into the oxide layer, and the observed PL photons are mainly emitted from the surface SiC nano areas.

Amorphization due to electronic energy deposition in defective strontium titanate

DOE PAGES

Xue, Haizhou; Zarkadoula, Eva; Liu, Peng; ...

2017-01-27

The synergistic interaction of electronic energy loss by ions with ion-induced defects created by elastic nuclear scattering processes has been investigated for single crystal SrTiO 3. An initial pre-damaged defect state corresponding to a relative disorder level of 0.10–0.15 sensitizes the SrTiO 3 to amorphous track formation along the ion path of 12 and 20 MeV Ti, 21 MeV Cl and 21 MeV Ni ions, where Ti, Cl and Ni ions otherwise do not produce amorphous or damage tracks in pristine SrTiO 3. The electronic stopping power threshold for amorphous ion track formation is found to be 6.7 keV/nm formore » the pre-damaged defect state studied in this work. Lastly, these results suggest the possibility of selectively producing nanometer scale, amorphous ion tracks in thin films of epitaxial SrTiO 3.« less

Electron ionization of SiCl4

NASA Astrophysics Data System (ADS)

King, Simon J.; Price, Stephen D.

2011-02-01

Relative partial ionization cross sections (PICS) for the formation of fragment ions following electron ionization of SiCl4, in the electron energy range 30-200 eV, have been determined using time-of-flight mass spectrometry coupled with an ion coincidence technique. By this method, the contributions to the yield of each fragment ion from dissociative single, double, and triple ionization, are distinguished. These yields are quantified in the form of relative precursor-specific PICS, which are reported here for the first time for SiCl4. For the formation of singly charged ionic fragments, the low-energy maxima appearing in the PICS curves are due to contributions from single ionization involving predominantly indirect ionization processes, while contributions to the yields of these ions at higher electron energies are often dominated by dissociative double ionization. Our data, in the reduced form of relative PICS, are shown to be in good agreement with a previous determination of the PICS of SiCl4. Only for the formation of doubly charged fragment ions are the current relative PICS values lower than those measured in a previous study, although both datasets agree within combined error limits. The relative PICS data presented here include the first quantitative measurements of the formation of Cl2+ fragment ions and of the formation of ion pairs via dissociative double ionization. The peaks appearing in the 2D ion coincidence data are analyzed to provide further information concerning the mechanism and energetics of the charge-separating dissociations of SiCl42+. The lowest energy dicationic precursor state, leading to SiCl3+ + Cl+ formation, lies 27.4 ± 0.3 eV above the ground state of SiCl4 and is in close agreement with a calculated value of the adiabatic double ionization energy (27.3 eV).

Electron ionization of SiCl4.

PubMed

King, Simon J; Price, Stephen D

2011-02-21

Relative partial ionization cross sections (PICS) for the formation of fragment ions following electron ionization of SiCl(4), in the electron energy range 30-200 eV, have been determined using time-of-flight mass spectrometry coupled with an ion coincidence technique. By this method, the contributions to the yield of each fragment ion from dissociative single, double, and triple ionization, are distinguished. These yields are quantified in the form of relative precursor-specific PICS, which are reported here for the first time for SiCl(4). For the formation of singly charged ionic fragments, the low-energy maxima appearing in the PICS curves are due to contributions from single ionization involving predominantly indirect ionization processes, while contributions to the yields of these ions at higher electron energies are often dominated by dissociative double ionization. Our data, in the reduced form of relative PICS, are shown to be in good agreement with a previous determination of the PICS of SiCl(4). Only for the formation of doubly charged fragment ions are the current relative PICS values lower than those measured in a previous study, although both datasets agree within combined error limits. The relative PICS data presented here include the first quantitative measurements of the formation of Cl(2) (+) fragment ions and of the formation of ion pairs via dissociative double ionization. The peaks appearing in the 2D ion coincidence data are analyzed to provide further information concerning the mechanism and energetics of the charge-separating dissociations of SiCl(4) (2+). The lowest energy dicationic precursor state, leading to SiCl(3) (+) + Cl(+) formation, lies 27.4 ± 0.3 eV above the ground state of SiCl(4) and is in close agreement with a calculated value of the adiabatic double ionization energy (27.3 eV).

Kinetic Monte Carlo simulations of ion-induced ripple formation: Dependence on flux, temperature, and defect concentration in the linear regime

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

Chason, E.; Chan, W. L.; Bharathi, M. S.

Low-energy ion bombardment produces spontaneous periodic structures (sputter ripples) on many surfaces. Continuum theories describe the pattern formation in terms of ion-surface interactions and surface relaxation kinetics, but many features of these models (such as defect concentration) are unknown or difficult to determine. In this work, we present results of kinetic Monte Carlo simulations that model surface evolution using discrete atomistic versions of the physical processes included in the continuum theories. From simulations over a range of parameters, we obtain the dependence of the ripple growth rate, wavelength, and velocity on the ion flux and temperature. The results are discussedmore » in terms of the thermally dependent concentration and diffusivity of ion-induced surface defects. We find that in the early stages of ripple formation the simulation results are surprisingly well described by the predictions of the continuum theory, in spite of simplifying approximations used in the continuum model.« less

Ripple pattern formation on silicon surfaces by low-energy ion-beam erosion: Experiment and theory

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

Ziberi, B.; Frost, F.; Rauschenbach, B.

The topography evolution of Si surfaces during low-energy noble-gas ion-beam erosion (ion energy {<=}2000 eV) at room temperature has been studied. Depending on the ion-beam parameters, self-organized ripple patterns evolve on the surface with a wavelength {lambda}<100 nm. Ripple patterns were found to occur at near-normal ion incidence angles (5 deg. -30 deg.) with the wave vector oriented parallel to the ion-beam direction. The ordering and homogeneity of these patterns increase with ion fluence, leading to very-well-ordered ripples. The ripple wavelength remains constant with ion fluence. Also, the influence of ion energy on the ripple wavelength is investigated. Additionally itmore » is shown that the mass of the bombarding ion plays a decisive role in the ripple formation process. Ripple patterns evolve for Ar{sup +},Kr{sup +}, and Xe{sup +} ions, while no ripples are observed using Ne{sup +} ions. These results are discussed in the context of continuum theories and by using Monte Carlo simulations.« less

Fast formation cycling for lithium ion batteries

DOE PAGES

An, Seong Jin; Li, Jianlin; Du, Zhijia; ...

2017-01-09

The formation process for lithium ion batteries typically takes several days or more, and it is necessary for providing a stable solid electrolyte interphase on the anode (at low potentials vs. Li/Li +) for preventing irreversible consumption of electrolyte and lithium ions. An analogous layer known as the cathode electrolyte interphase layer forms at the cathode at high potentials vs. Li/Li +. However, several days, or even up to a week, of these processes result in either lower LIB production rates or a prohibitively large size of charging-discharging equipment and space (i.e. excessive capital cost). In this study, a fastmore » and effective electrolyte interphase formation protocol is proposed and compared with an Oak Ridge National Laboratory baseline protocol. Graphite, NMC 532, and 1.2 M LiPF 6 in ethylene carbonate: diethyl carbonate were used as anodes, cathodes, and electrolytes, respectively. Finally, results from electrochemical impedance spectroscopy show the new protocol reduced surface film (electrolyte interphase) resistances, and 1300 aging cycles show an improvement in capacity retention.« less

Charged particle space weathering rates at the Moon derived from ARTEMIS observations

NASA Astrophysics Data System (ADS)

Poppe, A. R.; Farrell, W. M.; Halekas, J. S.

2017-12-01

The weathering of airless bodies exposed to space is a fundamental process in the formation and evolution of planetary surfaces. At the Moon, space weathering induces a variety of physical, chemical, and optical changes including the formation of nanometer sized amorphous rims on individual lunar grains. These rims are formed by vapor redeposition from micrometeoroid impacts and ion irradiation-induced amorphization of the crystalline matrix. For ion irradiation-induced rims, however, laboratory experiments of the depth and formation timescales of these rims stand in stark disagreement with observations of lunar soil grains. We use observations by the ARTEMIS spacecraft in orbit around the Moon to compute the mean ion flux to the lunar surface and convolve this flux with ion irradiation-induced vacancy production rates calculated using the Stopping Range of Ions in Matter (SRIM) model. From this, we calculate the formation timescales for amorphous rim production as a function of depth and compare to laboratory experiments and observations of lunar soil. Our analysis resolves two outstanding issues: (1) the provenance of >100 nm amorphous rims on lunar grains and (2) the nature of the depth-age relationship for amorphous rims on lunar grains. We also present the hypothesis that ion beam-induced epitaxial crystallization is responsible for the discrepancy between observational and experimental results of the formation time of <100 nm amorphous rims.

Adiabatic model of field reversal by fast ions in an axisymmetric open trap

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

Tsidulko, Yu. A., E-mail: tsidulko@mail.ru

2016-06-15

A model of field reversal by fast ions has been developed under the assumption of preservation of fast-ion adiabatic invariants. Analytical solutions obtained in the approximation of a narrow fast-ion layer and numerical solutions to the evolutionary problem are presented. The solutions demonstrate the process of formation of a field reversed configuration with parameters close to those of the planned experiment.

Calcium phosphate stabilization of fly ash with chloride extraction.

PubMed

Nzihou, Ange; Sharrock, Patrick

2002-01-01

Municipal solid waste incinerator by products include fly ash and air pollution control residues. In order to transform these incinerator wastes into reusable mineral species, soluble alkali chlorides must be separated and toxic trace elements must be stabilized in insoluble form. We show that alkali chlorides can be extracted efficiently in an aqueous extraction step combining a calcium phosphate gel precipitation. In such a process, sodium and potassium chlorides are obtained free from calcium salts, and the trace metal ions are immobilized in the calcium phosphate matrix. Moderate calcination of the chemically treated fly ash leads to the formation of cristalline hydroxylapatite. Fly ash spiked with copper ions and treated by this process shows improved stability of metal ions. Leaching tests with water or EDTA reveal a significant drop in metal ion dissolution. Hydroxylapatite may trap toxic metals and also prevent their evaporation during thermal treatments. Incinerator fly ash together with air pollution control residues, treated by the combined chloride extraction and hydroxylapatite formation process may be considered safe to use as a mineral filler in value added products such as road base or cement blocks.

Collisionless shock formation and the prompt acceleration of solar flare ions

NASA Technical Reports Server (NTRS)

Cargill, P. J.; Goodrich, C. C.; Vlahos, L.

1988-01-01

The formation mechanisms of collisionless shocks in solar flare plasmas are investigated. The priamry flare energy release is assumed to arise in the coronal portion of a flare loop as many small regions or 'hot spots' where the plasma beta locally exceeds unity. One dimensional hybrid numerical simulations show that the expansion of these 'hot spots' in a direction either perpendicular or oblique to the ambient magnetic field gives rise to collisionless shocks in a few Omega(i), where Omega(i) is the local ion cyclotron frequency. For solar parameters, this is less than 1 second. The local shocks are then subsequently able to accelerate particles to 10 MeV in less than 1 second by a combined drift-diffusive process. The formation mechanism may also give rise to energetic ions of 100 keV in the shock vicinity. The presence of these energetic ions is due either to ion heating or ion beam instabilities and they may act as a seed population for further acceleration. The prompt acceleration of ions inferred from the Gamma Ray Spectrometer on the Solar Maximum Mission can thus be explained by this mechanism.

Measurements of Positive Ambient Ions in Lamont OK as Part of the Holistic Interaction of Shallow Clouds Aerosols and Land Ecosystems (HISCALE II) Field Campaign

NASA Astrophysics Data System (ADS)

Abdelhamid, A.; Stark, H.; Worsnop, D. R.; Nowak, J. B.; Kuang, C.; Bullard, R.; Browne, E. C.

2017-12-01

Atmospheric ions control the electrical properties of the atmosphere, influence chemical composition via ion-molecule and/or ion-catalyzed reactions, and affect new particle formation. Understanding the role of ions in these processes requires knowledge of ionic chemical composition. Due to the low concentration of ions, chemical composition measurements have historically been challenging. Recent advances in mass spectrometry, such as the atmospheric pressure interface time-of-flight mass spectrometer (APi-TOF), are now making these measurements more feasible. Here, we present measurements of ambient cations during the HISCALE II field campaign (August- September 2016) in Lamont, OK. We discuss how the chemical composition of cations varies over the course of the campaign including before, during, and after new particle formation events. We specifically focus on the composition of organic nitrogen ions due to the potential importance of these compounds in atmospheric nucleation. We compare our results to measurements of neutral organic nitrogen compounds in order to gain insight into how organic nitrogen is chemically transformed in the atmosphere and how this influences new particle formation.

Solar Ion Processing of Itokawa Grains: Constraints on Surface Exposure Times

NASA Technical Reports Server (NTRS)

Christoffersen, R.; Keller, L. P.

2015-01-01

Analytical TEM observations obtained to date reveal that a significant sub-population of grains returned from the surface of asteroid Itokawa have had their outer 30-100 nm processed by space weathering effects. Although the effects include some surface deposition of condensed impact vapor and isolated impact melt splashes, much of the width of the space weathered outer margins or "rims" on grains is derived from solar wind processing of the original host grain. Similar to what has long been reported for some lunar grains, the ion-processed rims on Itokawa grains exhibit varing degrees and depths of penetration of atomic-displacement ion damage, resulting in complete amorphization for some rims (particularly in plagioclase), or formation of highly defective but still crystalline structures in others (particularly in pyroxene and olivine). Possibly different from lunar grains, however, is the presence of isolated internal cavities or voids in Itokawa grain rims, which may be implantation "bubbles" due to accumulating implanted solar wind H and/or He. For a given mineral exposed at a particular set of long term solar wind conditions, the level of ion damage in a given grain rim, the depth of damage penetration represented by the rim width, and the formation or lack of formation of implantation bubbles can all be linked to the time spent by the grain in an uncovered state on the topmost, space-exposed, regolith surface. For the lunar case, we have previously shown that with reasonable assumptions about solar wind characteristics over time, a model can be developed to estimate this exposure time based on the width of amorphous rims on lunar grains. Here we report on an expansion of the model to cover exposure time information contained in the array of solar ion-induced features in Itokawa grains.

Formation of carbon nitride — a novel hard coating

NASA Astrophysics Data System (ADS)

Chubaci, J. F. D.; Ogata, K.; Fujimoto, F.; Watanabe, S.; Biersack, J. P.

1996-08-01

Increasing efforts have been reported on the formation of carbon nitride. Vapor deposition and simultaneous ion bombardment from accelerators or plasmas (IBAD) proved to be a successful technique for the preparation of this material. In our preparation, the properties of the films were controlled by varying the nitrogen ion energy and the flux composition ratio {C}/{N}. The deposited films with high nitrogen incorporation ( {C}/{N} = 0.6 ˜ 0.7 ) and low implantation energies (< 1.0 keV) showed high Knoop hardnesses of up to 63 GPa. XPS and FT-IR measurements indicated a high fraction of triple bonded CN. X-ray diffraction showed an amorphous structure. Computer simulations by the dynamic TRIM code are used to study the formation parameters, nitrogen ion energy and {C}/{N} ratio. This turned on to be useful in understanding the formation process of the carbon nitride films grown on silicon wafers, fused silica and tungsten carbide substrates.

Electromagnetic tornadoes in space. Ion conics along auroral field lines generated by lower hybrid waves and electromagnetic turbulence in the ion-cyclotron range of frequencies

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

Chang, T.; Crew, G.B.; Retterer, J.M.

1988-01-01

The exotic phenomenon of energetic ion-conic formation by plasma waves in the magnetosphere is considered. Two particular transverse heating mechanisms are reviewed in detail: lower-hybrid energization of ions in the boundary layer of the plasma sheet, and electromagnetic ion cyclotron resonance heating in the central region of the plasma sheet. Mean particle calculations, plasma simulations, and analytical treatments of the heating processes are described.

Aqueous photochemical reactions of chloride, bromide, and iodide ions in a diode-array spectrophotometer. Autoinhibition in the photolysis of iodide ions.

PubMed

Kalmár, József; Dóka, Éva; Lente, Gábor; Fábián, István

2014-03-28

The aqueous photoreactions of three halide ions (chloride, bromide and iodide) were studied using a diode array spectrophotometer to drive and detect the process at the same time. The concentration and pH dependences of the halogen formation rates were studied in detail. The experimental data were interpreted by improving earlier models where the cage complex of a halogen atom and an electron has a central role. The triiodide ion was shown to exert a strong inhibiting effect on the reaction sequence leading to its own formation. An assumed chemical reaction between the triiodide ion and the cage complex interpreted the strong autoinhibition effect. It is shown that there is a real danger of unwanted interference from the photoreactions of halide ions when halide salts are used as supporting electrolytes in spectrophotometric experiments using a relatively high intensity UV light source.

Electromagnetic tornadoes in space

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

Chang, T.; Crew, G.B.; Retterer, J.M.

1988-01-01

The exotic phenomenon of energetic-ion conic formation by plasma waves in the magnetosphere is considered. Two particular transverse heating mechanisms are reviewed in detail; lower-hybrid energization of ions in the boundary layer of the plasma sheet and electromagnetic ion cyclotron resonance heating in the central region of the plasma sheet. Mean particle calculations, plasma simulations and analytical treatments of the heating processes are described.

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

Two competing ionization processes in electrospray mass spectrometry of indolyl benzo[b]carbazoles: formation of M⁺• versus [M + H]⁺.

PubMed

Zhang, Xiaoping; Jiang, Kezhi; Zou, Jingfeng; Li, Zuguang

2015-02-15

Ionization in electrospray ionization mass spectrometry (ESI-MS) mainly occurs as a result of acid-base reactions or coordination with metal cations. Formation of the radical cation M(+•) in the ESI process has attracted our interest to perform further investigation. A series of indolyl benzo[b]carbazoles were investigated using a quadrupole ion trap mass spectrometer equipped with an ESI source or an atmospheric pressure chemical ionization (APCI) source in the positive-ion mode. Theoretical calculations were performed using the density functional theory (DFT) method at the B3LYP/6-31G(d) level. Both the radical ion M(+•) and the protonated molecule [M + H](+) were obtained by ESI-MS analysis of indolyl benzo[b]carbazoles, while only [M + H](+) was observed in the APCI-MS analysis. The relative intensities of M(+•) and [M + H](+) were significantly affected by several ESI operating parameters and the nature of the substituents. Formation of M(+•) and [M + H](+) was rationalized as two competing ionization processes in the ESI-MS analysis of indolyl benzo[b]carbazoles. Copyright © 2014 John Wiley & Sons, Ltd.

Synthesis of aqueous suspensions of magnetic nanoparticles with the co-precipitation of iron ions in the presence of aspartic acid

NASA Astrophysics Data System (ADS)

Pušnik, Klementina; Goršak, Tanja; Drofenik, Miha; Makovec, Darko

2016-09-01

There is increasing demand for the production of large quantities of aqueous suspensions of magnetic iron-oxide nanoparticles. Amino acids are one possible type of inexpensive, nontoxic, and biocompatible molecules that can be used as the surfactants for the preparation of stable suspensions. This preparation can be conducted in a simple, one-step process based on the co-precipitation of Fe3+/Fe2+ ions in the presence of the amino acid. However, the presence of this amino acid changes the mechanism of the magnetic nanoparticles' formation. In this investigation we analyzed the influence of aspartic amino acid (Asp) on the formation of magnetic iron-oxide nanoparticles during the co-precipitation. The process of the nanoparticles' formation was followed using a combination of TEM, x-ray diffractometry, magnetic measurements, in-situ FT-IR spectroscopy, and chemical analysis, and compared with the formation of nanoparticles without the Asp. The Asp forms a coordination complex with the Fe3+ ions, which impedes the formation of the intermediate iron oxyhydroxide phase and suppresses the growth of the final magnetic iron-oxide nanoparticles. Slower reaction kinetics can lead to the formation of nonmagnetic secondary phases. The aspartic-acid-absorbed nanoparticles can be dispersed to form relatively concentrated aqueous suspensions displaying a good colloidal stability at an increased pH.

Kinetics of plasma formation in sodium vapor excited by nanosecond resonant laser pulses

NASA Astrophysics Data System (ADS)

Mahmoud, M. A.; Gamal, Y. E. E.

2012-07-01

We have studied theoretically formation of molecular ion Na2 + and the atomic ion Na+ which are created in laser excited sodium vapor at the first resonance transition, 3S1/2-3P1/2. A set of rate equations, which describe the temporal variation of the electron energy distribution function (EEDF), the electron density, the population density of the excited states as well as the atomic Na+ and molecular ion Na2 +, are solved numerically. The calculations are carried out at different laser energy and different sodium atomic vapor densities. The numerical calculations of the EEDF show that a deviation from the Maxwellian distribution due to the superelastic collisions effect. In addition to the competition between associative ionization (3P-3P), associative ionization (3P-3D) and Molnar-Hornbeck ionization processes for producing Na2 +, the calculations have also shown that the atomic ions Na+ are formed through the Penning ionization and photoionization processes. These results are found to be consistent with the experimental observations.

Ortho and parahydrogen in interstellar material

NASA Technical Reports Server (NTRS)

Reeves, R. R.; Harteck, P.

1979-01-01

The ortho/para molecular hydrogen ratio in the interstellar medium is considered. It is shown that the ortho/para ratio will be 3:1 in practically all chemical reactions, even at relatively low temperatures. Two examples of exothermic processes that will result in the formation of a 3:1 ortho:para ratio, corresponding to a high-temperature equilibrium, are examined: H2 formation via three-body or surface recombination and catalytic recombination involving electrons and H(-) ions. Gas-phase scrambling ion reactions are also discussed, and it is suggested that virtually all the H2 equilibrated via scrambling reactions involving H(+) and H3(+) ions should exist as parahydrogen in the J ? 0 quantum state. Arguments are given that deuterium cannot interfere with the long scrambling chain that results in parahydrogen formation.

Solar Ion Processing of Itokawa Grains: Reconciling Model Predictions with Sample Observations

NASA Technical Reports Server (NTRS)

Christoffersen, Roy; Keller, L. P.

2014-01-01

Analytical TEM observations of Itokawa grains reported to date show complex solar wind ion processing effects in the outer 30-100 nm of pyroxene and olivine grains. The effects include loss of long-range structural order, formation of isolated interval cavities or "bubbles", and other nanoscale compositional/microstructural variations. None of the effects so far described have, however, included complete ion-induced amorphization. To link the array of observed relationships to grain surface exposure times, we have adapted our previous numerical model for progressive solar ion processing effects in lunar regolith grains to the Itokawa samples. The model uses SRIM ion collision damage and implantation calculations within a framework of a constant-deposited-energy model for amorphization. Inputs include experimentally-measured amorphization fluences, a Pi steradian variable ion incidence geometry required for a rotating asteroid, and a numerical flux-versus-velocity solar wind spectrum.

Irradiation-induced Ag-colloid formation in ion-exchanged soda-lime glass

NASA Astrophysics Data System (ADS)

Caccavale, F.; De Marchi, G.; Gonella, F.; Mazzoldi, P.; Meneghini, C.; Quaranta, A.; Arnold, G. W.; Battaglin, G.; Mattei, G.

1995-03-01

Ion-exchanged glass samples were obtained by immersing soda-lime slides in molten salt baths of molar concentration in the range 1-20% AgNO 3 in NaNO 3, at temperatures varying from 320 to 350°C, and processing times of the order of a few minutes. Irradiations of exchanged samples were subsequently performed by using H +m, He +, N + ions at different energies in order to obtain comparable projected ranges. The fluence was varied between 5 × 10 15 and 2 × 10 17 ions/cm 2. Most of the samples were treated at current densities lower than 2 μA/cm 2, in order to avoid heating effects. Some samples were irradiated with 4 keV electrons, corresponding to a range of 250 nm. The formation of nanoclusters of radii in the range 1-10 nm has been observed after irradiation, depending on the treatment conditions. The precipitation process is governed by the electronic energy deposition of incident particles. The most desirable results are obtained for helium implants. The process was characterized by the use of Secondary Ion Mass Spectrometry (SIMS) and nuclear techniques (Rutherford Backscattering (RBS), Nuclear Reactions (NRA)), in order to determine concentration-depth profiles and by optical absorption and Transmission Electron Microscopy (TEM) measurements for the silver nanoclusters detection and size evaluation.

[Involvement of carbonate/bicarbonate ions in the superoxide-generating reaction of adrenaline autoxidation].

PubMed

Sirota, T V

2015-01-01

An important role of carbonate/bicarbonate ions has been recognized in the superoxide generating reaction of adrenaline autooxidation in an alkaline buffer (a model of quinoid adrenaline oxidation in the body). It is suggested that these ions are directly involved not only in formation of superoxide anion radical (О(2)(-)) but also other radicals derived from the carbonate/bicarbonate buffer. Using various buffers it was shown that the rate of accumulation of adrenochrome, the end product of adrenaline oxidation, and the rate of О(2)(-)· formation depend on concentration of carbonate/bicarbonate ions in the buffer and that these ions significantly accelerate adrenaline autooxidation thus demonstrating prooxidant properties. The detectable amount of diformazan, the product of nitro blue tetrazolium (NBT) reduction, was significantly higher than the amount of adrenochrome formed; taking into consideration the literature data on О(2)(-)· detection by NBT it is suggested that adrenaline autooxidation is accompanied by one-electron reduction not only of oxygen dissolved in the buffer and responsible for superoxide formation but possible carbon dioxide also dissolved in the buffer as well as carbonate/bicarbonate buffer components leading to formation of corresponding radicals. The plots of the dependence of the inhibition of adrenochrome and diformazan formation on the superoxide dismutase concentration have shown that not only superoxide radicals are formed during adrenaline autooxidation. Since carbonate/bicarbonate ions are known to be universally present in the living nature, their involvement in free radical processes proceeding in the organism is discussed.

Review of microscopic plasma processes of occurring during refilling of the plasmasphere

NASA Technical Reports Server (NTRS)

Singh, N.; Torr, D. G.

1988-01-01

Refilling of the plasmashere after geomagnetic storms involves both macroscopic and microscopic plasma processes. The latter types of processes facilitate the refilling by trapping the plasma in the flux tube and by thermalizing the interhemispheric flow. A review of studies on microscopic processes is presented. The primary focus in this review is on the processes when the density is low and the plasma is collisionless. The discussion includes electrostatic shock formation, pitch angle scatterring extended ion heating and localized ion heating in the equatorial region.

The role of phase separation for self-organized surface pattern formation by ion beam erosion and metal atom co-deposition

NASA Astrophysics Data System (ADS)

Hofsäss, H.; Zhang, K.; Pape, A.; Bobes, O.; Brötzmann, M.

2013-05-01

We investigate the ripple pattern formation on Si surfaces at room temperature during normal incidence ion beam erosion under simultaneous deposition of different metallic co-deposited surfactant atoms. The co-deposition of small amounts of metallic atoms, in particular Fe and Mo, is known to have a tremendous impact on the evolution of nanoscale surface patterns on Si. In previous work on ion erosion of Si during co-deposition of Fe atoms, we proposed that chemical interactions between Fe and Si atoms of the steady-state mixed Fe x Si surface layer formed during ion beam erosion is a dominant driving force for self-organized pattern formation. In particular, we provided experimental evidence for the formation of amorphous iron disilicide. To confirm and generalize such chemical effects on the pattern formation, in particular the tendency for phase separation, we have now irradiated Si surfaces with normal incidence 5 keV Xe ions under simultaneous gracing incidence co-deposition of Fe, Ni, Cu, Mo, W, Pt, and Au surfactant atoms. The selected metals in the two groups (Fe, Ni, Cu) and (W, Pt, Au) are very similar regarding their collision cascade behavior, but strongly differ regarding their tendency to silicide formation. We find pronounced ripple pattern formation only for those co deposited metals (Fe, Mo, Ni, W, and Pt), which are prone to the formation of mono and disilicides. In contrast, for Cu and Au co-deposition the surface remains very flat, even after irradiation at high ion fluence. Because of the very different behavior of Cu compared to Fe, Ni and Au compared to W, Pt, phase separation toward amorphous metal silicide phases is seen as the relevant process for the pattern formation on Si in the case of Fe, Mo, Ni, W, and Pt co-deposition.

Ion beam microtexturing and enhanced surface diffusion

NASA Technical Reports Server (NTRS)

Robinson, R. S.

1982-01-01

Ion beam interactions with solid surfaces are discussed with particular emphasis on microtexturing induced by the deliberate deposition of controllable amounts of an impurity material onto a solid surface while simultaneously sputtering the surface with an ion beam. Experimental study of the optical properties of microtextured surfaces is described. Measurements of both absorptance as a function of wavelength and emissivity are presented. A computer code is described that models the sputtering and ion reflection processes involved in microtexture formation.

Mechanism of unassisted ion transport across membrane bilayers

NASA Technical Reports Server (NTRS)

Wilson, M. A.; Pohorille, A.

1996-01-01

To establish how charged species move from water to the nonpolar membrane interior and to determine the energetic and structural effects accompanying this process, we performed molecular dynamics simulations of the transport of Na+ and Cl- across a lipid bilayer located between two water lamellae. The total length of molecular dynamics trajectories generated for each ion was 10 ns. Our simulations demonstrate that permeation of ions into the membrane is accompanied by the formation of deep, asymmetric thinning defects in the bilayer, whereby polar lipid head groups and water penetrate the nonpolar membrane interior. Once the ion crosses the midplane of the bilayer the deformation "switches sides"; the initial defect slowly relaxes, and a defect forms in the outgoing side of the bilayer. As a result, the ion remains well solvated during the process; the total number of oxygen atoms from water and lipid head groups in the first solvation shell remains constant. A similar membrane deformation is formed when the ion is instantaneously inserted into the interior of the bilayer. The formation of defects considerably lowers the free energy barrier to transfer of the ion across the bilayer and, consequently, increases the permeabilities of the membrane to ions, compared to the rigid, planar structure, by approximately 14 orders of magnitude. Our results have implications for drug delivery using liposomes and peptide insertion into membranes.

Surface Morphologies of Ti and Ti-Al-V Bombarded by 1.0-MeV Au+ Ions

NASA Astrophysics Data System (ADS)

Garcia, M. A.; Rickards, J.; Cuerno, R.; Trejo-Luna, R.; Cañetas-Ortega, J.; de la Vega, L. R.; Rodríguez-Fernández, L.

2017-12-01

Ion implantation is known to enhance the mechanical properties of biomaterials such as, e.g., the wear resistance of orthopedic joints. Increasing the surface area of implants may likewise improve their integration with, e.g., bone tissue, which requires surface features with sizes in the micron range. Ion implantation of biocompatible metals has recently been demonstrated to induce surface ripples with wavelengths of a few microns. However, the physical mechanisms controlling the formation and characteristics of these patterns are yet to be understood. We bombard Ti and Ti-6Al-4V surfaces with 1.0-MeV Au+ ions. Analysis by scanning electron and atomic force microscopies shows the formation of surface ripples with typical dimensions in the micron range, with potential indeed for biomedical applications. Under the present specific experimental conditions, the ripple properties are seen to strongly depend on the fluence of the implanted ions while being weakly dependent on the target material. Moreover, by examining experiments performed for incidence angle values θ =8 ° , 23°, 49°, and 67°, we confirm the existence of a threshold incidence angle for (ripple) pattern formation. Surface indentation is also used to study surface features under additional values of θ , agreeing with our single-angle experiments. All properties of the surface structuring process are very similar to those found in the production of surface nanopatterns under low-energy ion bombardment of semiconductor targets, in which the stopping power is dominated by nuclear contributions, as in our experiments. We consider a continuum model that combines the effects of various physical processes as originally developed in that context, with parameters that we estimate under a binary-collision approximation. Notably, reasonable agreement with our experimental observations is achieved, even under our high-energy conditions. Accordingly, in our system, ripple formation is determined by mass-redistribution currents reinforced by ion-implantation effects, which compete with an unstable curvature dependence of the sputtering yield.

New Insights into the X-Ray Spectra of Heliumlike and Neonlike Ions

NASA Technical Reports Server (NTRS)

Beiersdorfer, P.; Chen, H.; Hey, D.; Osterheld, A. L.; May, M. J.

2002-01-01

Recent measurements of the K-shell and L-shell x-ray spectra of highly charged helium- like and neonlike ions are presented that were performed on the Livermore electron beam ion traps and the Princeton tokamaks. These measurements provide new insights into collisional and indirect line formation processes, identifications of forbidden lines, and a new plasma line diagnostic of magnetic field strength.

Evaluation of the ion implantation process for production of solar cells from silicon sheet materials

NASA Technical Reports Server (NTRS)

Spitzer, M. B.

1983-01-01

The objective of this program is the investigation and evaluation of the capabilities of the ion implantation process for the production of photovoltaic cells from a variety of present-day, state-of-the-art, low-cost silicon sheet materials. Task 1 of the program concerns application of ion implantation and furnace annealing to fabrication of cells made from dendritic web silicon. Task 2 comprises the application of ion implantation and pulsed electron beam annealing (PEBA) to cells made from SEMIX, SILSO, heat-exchanger-method (HEM), edge-defined film-fed growth (EFG) and Czochralski (CZ) silicon. The goals of Task 1 comprise an investigation of implantation and anneal processes applied to dendritic web. A further goal is the evaluation of surface passivation and back surface reflector formation. In this way, processes yielding the very highest efficiency can be evaluated. Task 2 seeks to evaluate the use of PEBA for various sheet materials. A comparison of PEBA to thermal annealing will be made for a variety of ion implantation processes.

Nanopatterning of optical surfaces during low-energy ion beam sputtering

NASA Astrophysics Data System (ADS)

Liao, Wenlin; Dai, Yifan; Xie, Xuhui

2014-06-01

Ion beam figuring (IBF) provides a highly deterministic method for high-precision optical surface fabrication, whereas ion-induced microscopic morphology evolution would occur on surfaces. Consequently, the fabrication specification for surface smoothness must be seriously considered during the IBF process. In this work, low-energy ion nanopatterning of our frequently used optical material surfaces is investigated to discuss the manufacturability of an ultrasmooth surface. The research results indicate that ion beam sputtering (IBS) can directly smooth some amorphous or amorphizable material surfaces, such as fused silica, Si, and ULE under appropriate processing conditions. However, for IBS of a Zerodur surface, preferential sputtering together with curvature-dependent sputtering overcome ion-induced smoothing mechanisms, leading to the granular nanopatterns' formation and the coarsening of the surface. Furthermore, the material property difference at microscopic scales and the continuous impurity incorporation would affect the ion beam smoothing of optical surfaces. Overall, IBS can be used as a promising technique for ultrasmooth surface fabrication, which strongly depends on processing conditions and material characters.

Formation Timescales of Amosphous Rims on Lunar Grains Derived from ARTEMIS Observations

NASA Technical Reports Server (NTRS)

Poppe, A. R.; Farrell, W. M.; Halekas, Jasper S.

2018-01-01

The weathering of airless bodies exposed to space is a fundamental process in the formation and evolution of planetary surfaces. At the Moon, space weathering induces a variety of physical, chemical, and optical changes including the formation of nanometer-sized amorphous rims on individual lunar grains. These rims are formed by vapor redeposition from micrometeoroid impacts and ion irradiation-induced amorphization of the crystalline matrix. For ion irradiation-induced rims, however, laboratory experiments of the depth and formation timescales of these rims stand in stark disagreement with observations of lunar soil grains. We use observations by the Acceleration, Reconnection, Turbulence, and Electrodynamics of the Moon's Interaction with the Sun (ARTEMIS) spacecraft in orbit around the Moon to compute the mean ion flux to the lunar surface between 10 eV and 5 MeV and convolve this flux with ion irradiation-induced vacancy production rates as a function of depth calculated using the Stopping Range of Ions in Matter model. By combining these results with laboratory measurements of the critical fluence for charged-particle amorphization in olivine, we can predict the formation timescale of amorphous rims as a function of depth in olivinic grains. This analysis resolves two outstanding issues: (1) the provenance of >100 nm amorphous rims on lunar grains and (2) the nature of the depth-age relationship for amorphous rims on lunar grains.

Formation Timescales of Amorphous Rims on Lunar Grains Derived From ARTEMIS Observations

NASA Astrophysics Data System (ADS)

Poppe, A. R.; Farrell, W. M.; Halekas, J. S.

2018-01-01

The weathering of airless bodies exposed to space is a fundamental process in the formation and evolution of planetary surfaces. At the Moon, space weathering induces a variety of physical, chemical, and optical changes including the formation of nanometer-sized amorphous rims on individual lunar grains. These rims are formed by vapor redeposition from micrometeoroid impacts and ion irradiation-induced amorphization of the crystalline matrix. For ion irradiation-induced rims, however, laboratory experiments of the depth and formation timescales of these rims stand in stark disagreement with observations of lunar soil grains. We use observations by the Acceleration, Reconnection, Turbulence, and Electrodynamics of the Moon's Interaction with the Sun (ARTEMIS) spacecraft in orbit around the Moon to compute the mean ion flux to the lunar surface between 10 eV and 5 MeV and convolve this flux with ion irradiation-induced vacancy production rates as a function of depth calculated using the Stopping Range of Ions in Matter model. By combining these results with laboratory measurements of the critical fluence for charged-particle amorphization in olivine, we can predict the formation timescale of amorphous rims as a function of depth in olivinic grains. This analysis resolves two outstanding issues: (1) the provenance of >100 nm amorphous rims on lunar grains and (2) the nature of the depth-age relationship for amorphous rims on lunar grains.

Crystallization Pathways in Biomineralization

NASA Astrophysics Data System (ADS)

Weiner, Steve; Addadi, Lia

2011-08-01

A crystallization pathway describes the movement of ions from their source to the final product. Cells are intimately involved in biological crystallization pathways. In many pathways the cells utilize a unique strategy: They temporarily concentrate ions in intracellular membrane-bound vesicles in the form of a highly disordered solid phase. This phase is then transported to the final mineralization site, where it is destabilized and crystallizes. We present four case studies, each of which demonstrates specific aspects of biological crystallization pathways: seawater uptake by foraminifera, calcite spicule formation by sea urchin larvae, goethite formation in the teeth of limpets, and guanine crystal formation in fish skin and spider cuticles. Three representative crystallization pathways are described, and aspects of the different stages of crystallization are discussed. An in-depth understanding of these complex processes can lead to new ideas for synthetic crystallization processes of interest to materials science.

Origin of cometary and chondritic refractory organics: Ion irradiation experiments

NASA Astrophysics Data System (ADS)

Quirico, E.; Faure, M.; Faure, A.; Baklouti, D.; Boduch, P.; Rothard, H.; Ballanzat, E.; Dartois, E.; Brunetto, R.; Bonal, L.; Beck, P.; Schmitt, B.; Duprat, J.; Engrand, C.

2017-09-01

The formation process of Refractory Organic matter present in chondrites and Interplanetary Dust Particles (IDPs) of cometary and asteroidal origin is a debated issue. Earlier studies have advocated a formation step in a hot environment, however the potential role of ion irradiation has been so far poorly constrained. We present here experimental simulations that address this issue, comprising thermal degradation and ion irradiation experiments conducted at GANIL (Caen France) and CSNSM (Orsay France). We show that unlike thermal reactions, ion irradiation might lead to ROM-like material under very stringent conditions on both the nuclear dose and the nature of precursor. These very narrow conditions suggest that forming ROM without any action of thermal reactions is extremely difficult in astrophysical environments, either ISM or the proto-solar disk.

Formation of carbon nanoclusters by implantation of keV carbon ions in fused silica followed by thermal annealing

NASA Astrophysics Data System (ADS)

Olivero, P.; Peng, J. L.; Liu, A.; Reichart, P.; McCallum, J. C.; Sze, J. Y.; Lau, S. P.; Tay, B. K.; Kalish, R.; Dhar, S.; Feldman, Leonard; Jamieson, David N.; Prawer, Steven

2005-02-01

In the last decade, the synthesis and characterization of nanometer sized carbon clusters have attracted growing interest within the scientific community. This is due to both scientific interest in the process of diamond nucleation and growth, and to the promising technological applications in nanoelectronics and quantum communications and computing. Our research group has demonstrated that MeV carbon ion implantation in fused silica followed by thermal annealing in the presence of hydrogen leads to the formation of nanocrystalline diamond, with cluster size ranging from 5 to 40 nm. In the present paper, we report the synthesis of carbon nanoclusters by the implantation into fused silica of keV carbon ions using the Plasma Immersion Ion Implantation (PIII) technique, followed by thermal annealing in forming gas (4% 2H in Ar). The present study is aimed at evaluating this implantation technique that has the advantage of allowing high fluence-rates on large substrates. The carbon nanostructures have been characterized with optical absorption and Raman spectroscopies, cross sectional Transmission Electron Microscopy (TEM), and Parallel Electron Energy Loss Spectroscopy (PEELS). Nuclear Reaction Analysis (NRA) has been employed to evaluate the deuterium incorporation during the annealing process, as a key mechanism to stabilize the formation of the clusters.

ALKALINE CARBONATE LEACHING PROCESS FOR URANIUM EXTRACTION

DOEpatents

Thunaes, A.; Brown, E.A.; Rabbitts, A.T.

1957-11-12

A process for the leaching of uranium from high carbonate ores is presented. According to the process, the ore is leached at a temperature of about 200 deg C and a pressure of about 200 p.s.i.g. with a solution containing alkali carbonate, alkali permanganate, and bicarbonate ion, the bicarbonate ion functionlng to prevent premature formation of alkali hydroxide and consequent precipitation of a diuranate. After the leaching is complete, the uranium present is recovered by precipitation with NaOH.

Application of Coaxial Ion Gun for Film Generation and Ion Implantation

NASA Astrophysics Data System (ADS)

Takatsu, Mikio; Asai, Tomohiko; Kurumi, Satoshi; Suzuki, Kaoru; Hirose, Hideharu; Masutani, Shigeyuki

A magnetized coaxial plasma gun (MCPG) is here utilized for deposition on high-melting-point metals. MCPGs have hitherto been studied mostly in the context of nuclear fusion research, for particle and magnetic helicity injection and spheromak formation. During spheromak formation, the electrode materials are ionized and mixed into the plasmoid. In this study, this ablation process by gun-current sputtering is enhanced for metallic thin-film generation. In the proposed system geometry, only ionized materials are electromagnetically accelerated by the self-Lorentz force, with ionized operating gas as a magnetized thermal plasmoid, contributing to the thin-film deposition. This reduces the impurity and non-uniformity of the deposited thin-film. Furthermore, as the ions are accelerated in a parallel direction to the injection axis, vertical implantation of the ions into the substrate surface is achieved. To test a potential application of the developed system, experiments were conducted involving the formation of a buffer layer on hard ceramics, for use in dental materials.

Formation of methyl formate in comets by irradiation of methanol-bearing ices

NASA Astrophysics Data System (ADS)

Modica, P.; Palumbo, M. E.; Strazzulla, G.

2012-12-01

Methyl formate is a complex organic molecule considered potentially relevant as precursor of biologically active molecules. It has been observed in several astrophysical environments, such as hot cores, hot corinos, and comets. The processes that drive the formation of molecules in cometary ices are poorly understood. In particular it is not yet clear if molecules are directly accreted from the pre-solar nebula to form comets or are formed after accretion. The present work analyzes the possible role of cosmic ion irradiation and radioactive decay in methyl formate formation in methanol-bearing ices. The results indicate that cosmic ion irradiation can account for about 12% of the methyl formate observed in comet Hale-Bopp, while radioactive decay can account for about 6% of this amount. The need of new data coming from earth based and space observational projects as well as from laboratory experiments is outlined.

Recombination-enhanced surface expansion of clusters in intense soft x-ray laser pulses

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

Rupp, Daniela; Flückiger, Leonie; Adolph, Marcus

Here, we studied the nanoplasma formation and explosion dynamics of single large xenon clusters in ultrashort, intense x-ray free-electron laser pulses via ion spectroscopy. The simultaneous measurement of single-shot diffraction images enabled a single-cluster analysis that is free from any averaging over the cluster size and laser intensity distributions. The measured charge state-resolved ion energy spectra show narrow distributions with peak positions that scale linearly with final ion charge state. These two distinct signatures are attributed to highly efficient recombination that eventually leads to the dominant formation of neutral atoms in the cluster. The measured mean ion energies exceed themore » value expected without recombination by more than an order of magnitude, indicating that the energy release resulting from electron-ion recombination constitutes a previously unnoticed nanoplasma heating process. This conclusion is supported by results from semiclassical molecular dynamics simulations.« less

Circulation of Heavy Ions and Their Dynamical Effects in the Magnetosphere: Recent Observations and Models

NASA Astrophysics Data System (ADS)

Kronberg, Elena A.; Ashour-Abdalla, Maha; Dandouras, Iannis; Delcourt, Dominique C.; Grigorenko, Elena E.; Kistler, Lynn M.; Kuzichev, Ilya V.; Liao, Jing; Maggiolo, Romain; Malova, Helmi V.; Orlova, Ksenia G.; Peroomian, Vahe; Shklyar, David R.; Shprits, Yuri Y.; Welling, Daniel T.; Zelenyi, Lev M.

2014-11-01

Knowledge of the ion composition in the near-Earth's magnetosphere and plasma sheet is essential for the understanding of magnetospheric processes and instabilities. The presence of heavy ions of ionospheric origin in the magnetosphere, in particular oxygen (O+), influences the plasma sheet bulk properties, current sheet (CS) thickness and its structure. It affects reconnection rates and the formation of Kelvin-Helmholtz instabilities. This has profound consequences for the global magnetospheric dynamics, including geomagnetic storms and substorm-like events. The formation and demise of the ring current and the radiation belts are also dependent on the presence of heavy ions. In this review we cover recent advances in observations and models of the circulation of heavy ions in the magnetosphere, considering sources, transport, acceleration, bulk properties, and the influence on the magnetospheric dynamics. We identify important open questions and promising avenues for future research.

Recombination of ions of a dense ion plasma in a fluorine atmosphere

NASA Astrophysics Data System (ADS)

Lankin, A. V.

2016-08-01

A new effect leading to the slowing of recombination in a weakly nonideal ion plasma is considered. The solvation of ions is included in the explanation of the results from studying a gas discharge afterglow in a fluorine atmosphere. It is shown that recombination in such a system is slowed in comparison to the standard relationships for ideal plasma. The formation and composition of cluster ions in such a medium are considered. The relationship between the variation in the kinetics of recombination and the course of the process according to a complicated mechanism with the intermediate formation of metastable cluster pairs is established. A quantitative model is built and a formula allowing us to describe the recombination rate over a wide range of parameters of the medium is obtained. It is shown that the proposed model is in good agreement with the experimental data.

Low-temperature nanodoping of protonated LiNbO3 crystals by univalent ions

NASA Astrophysics Data System (ADS)

Borodin, Yu. V.

2015-01-01

In the nanocomposite model developed here, crystals are treated as subordinate aggregate of pro- ton-selected structural elements, their blocks, and proton-containing quantum sublattices with preferred transport effects separating them. The formation of stratified reversible hexagonal structures is accompanied with protonation and formation of a dense network of H-bonds ensuring the nanocomposite properties. Nanodoping with H+ ions occurs during processing of crystals and glasses in melts as well as in aqueous solutions of Ag, Tl, Rb, and Cs salts. The isotope exchange H+ ↔ D+ and ion exchange H+ ↔ M+ lead to nanodoping of protonated materials with D+ and M+ ions. This is manifested especially clearly in Li-depleted nonequilibrium LiNbO3 and LiTaO3 crystals. Low-temperature proton-ion nanodoping over superlattices is a basically new approach to analysis of the structure and properties of extremely nonequilibrium materials.

Recombination-enhanced surface expansion of clusters in intense soft x-ray laser pulses

DOE PAGES

Rupp, Daniela; Flückiger, Leonie; Adolph, Marcus; ...

2016-10-07

Here, we studied the nanoplasma formation and explosion dynamics of single large xenon clusters in ultrashort, intense x-ray free-electron laser pulses via ion spectroscopy. The simultaneous measurement of single-shot diffraction images enabled a single-cluster analysis that is free from any averaging over the cluster size and laser intensity distributions. The measured charge state-resolved ion energy spectra show narrow distributions with peak positions that scale linearly with final ion charge state. These two distinct signatures are attributed to highly efficient recombination that eventually leads to the dominant formation of neutral atoms in the cluster. The measured mean ion energies exceed themore » value expected without recombination by more than an order of magnitude, indicating that the energy release resulting from electron-ion recombination constitutes a previously unnoticed nanoplasma heating process. This conclusion is supported by results from semiclassical molecular dynamics simulations.« less

Effects of contaminants in CO2 lasers.

NASA Technical Reports Server (NTRS)

Smith, N. S.

1973-01-01

A theoretical model which includes the effects of contaminants is developed for the high flow electric discharge CO2-N2-He laser. The model couples the excitation and relaxation processes, CO2 dissociation, and negative ion formation with the flow processes. An analysis of the effects of CO, O2, NO, and N2O impurities on the average small signal gain is presented. CO decreases the gain by collisional depopulation of the upper laser level, and O2, NO, and N2O reduce the gain by decreasing the electron density by forming stable negative ions. In particular, N2O exhibits a strong quenching effect because of its large dissociation cross section for the formation of O(-).

Survey of ion plating sources

NASA Technical Reports Server (NTRS)

Spalvins, T.

1979-01-01

Ion plating is a plasma deposition technique where ions of the gas and the evaporant have a decisive role in the formation of a coating in terms of adherence, coherence, and morphological growth. The range of materials that can be ion plated is predominantly determined by the selection of the evaporation source. Based on the type of evaporation source, gaseous media and mode of transport, the following will be discussed: resistance, electron beam sputtering, reactive and ion beam evaporation. Ionization efficiencies and ion energies in the glow discharge determine the percentage of atoms which are ionized under typical ion plating conditions. The plating flux consists of a small number of energetic ions and a large number of energetic neutrals. The energy distribution ranges from thermal energies up to a maximum energy of the discharge. The various reaction mechanisms which contribute to the exceptionally strong adherence - formation of a graded substrate/coating interface are not fully understood, however the controlling factors are evaluated. The influence of process variables on the nucleation and growth characteristics are illustrated in terms of morphological changes which affect the mechanical and tribological properties of the coating.

Effective self-purification of polynary metal electroplating wastewaters through formation of layered double hydroxides.

PubMed

Zhou, Ji Zhi; Wu, Yue Ying; Liu, Chong; Orpe, Ajay; Liu, Qiang; Xu, Zhi Ping; Qian, Guang Ren; Qiao, Shi Zhang

2010-12-01

Heavy metal ions (Ni(2+), Zn(2+), and Cr(3+)) can be effectively removed from real polynary metal ions-bearing electroplating wastewaters by a carbonation process, with ∼99% of metal ions removed in most cases. The synchronous formation of layered double hydroxide (LDH) precipitates containing these metal ions was responsible for the self-purification of wastewaters. The constituents of formed polynary metals-LDHs mainly depended on the Ni(2+):Zn(2+):Cr(3+) molar ratio in wastewaters. LDH was formed at pH of 6.0-8.0 when the Ni(2+)/Zn(2+) molar ratio ≥ 1 where molar fraction of trivalent metal in the wastewaters was 0.2-0.4, otherwise ZnO, hydrozincite, or amorphous precipitate was observed. In the case of LDH formation, the residual concentration of Ni(2+), Zn(2+), and Cr(3+) in the treated wastewaters was very low, about 2-3, ∼2, and ∼1 mg/L, respectively, at 20-80 °C and pH of 6.0-8.0, indicating the effective incorporation of heavy metal ions into the LDH matrix. Furthermore, the obtained LDH materials were used to adsorb azoic dye GR, with the maximum adsorption amount of 129-134 mg/g. We also found that the obtained LDHs catalyzed more than 65% toluene to decompose at 350 °C under ambient pressure. Thus the current research has not only shown effective recovery of heavy metal ions from the electroplating wastewaters in an environmentally friendly process but also demonstrated the potential utilization of recovered materials.

Formation of ions and radicals from icy grains in comets

NASA Technical Reports Server (NTRS)

Jackson, William M.; Gerth, Christopher; Hendricks, Charles

1991-01-01

Ion and radical formation in comets are thought to occur primarily by photodissociation of gas phase molecules. Experimental evidence and theoretical calculations are presented that show that some of the radical and ions can come directly from ice grains. The experimental evidence suggest that if the frozen molecules on the surface of grains undergo direct dissociation then they may be able to release radicals directly in the gas phase. If the molecules undergo predissociation it is unlikely that they will release radicals in the gas phase since they should be quenched. Calculations of this direct photodissociation mechanism further indicate that even if the parent molecule undergoes direct dissociation, the yield will not be high enough to explain the rays structure in comets unless the radicals are stored in the grains and then released when the grain evaporates. Calculations were also performed to determine the maximum number of ions that can be stored in an icy grain's radius. This number is compared with the ratio of the ion to neutral molecular density. The comparison suggests that some of the ions observed near the nucleus of the comet could have originally been present in the cometary nucleus. It is also pointed out that the presence of these ions in icy grains could lead to radical formation via electron recombination. Finally, an avalanche process was evaluated as another means of producing ions in comets.

Effect of post-implantation annealing on Al-N isoelectronic trap formation in silicon: Al-N pair formation and defect recovery mechanisms

NASA Astrophysics Data System (ADS)

Mori, Takahiro; Morita, Yukinori; Matsukawa, Takashi

2018-05-01

The effect of post-implantation annealing (PIA) on Al-N isoelectronic trap (IET) formation in silicon has been experimentally investigated to discuss the Al-N IET formation and implantation-induced defect recovery mechanisms. We performed a photoluminescence study, which indicated that self-interstitial clusters and accompanying vacancies are generated in the ion implantation process. It is supposed that Al and N atoms move to the vacancy sites and form stable Al-N pairs in the PIA process. Furthermore, the PIA process recovers self-interstitial clusters while transforming their atomic configuration. The critical temperature for the formation/dissociation of Al-N pairs was found to be 450 °C, with which we describe the process integration for devices utilizing Al-N IET technology.

Development of pulsed processes for the manufacture of solar cells

NASA Technical Reports Server (NTRS)

Minnucci, J. A.

1979-01-01

Low-energy ion implantation processes for the automated production of silicon solar cells were investigated. Phosphorus ions at an energy of 10 keV and dose of 2 x 10 to the 15th power/sq cm were implanted in silicon solar cells to produce junctions, while boron ions at 25 keV and 5 x 10 to the 15th power were implanted in the cells to produce effective back surface fields. An ion implantation facility with a beam current up to 4 mA and a production throughput of 300 wafers per hour was designed and installed. A design was prepared for a 100 mA, automated implanter with a production capacity of 100 MW sub e/sq cm per year. Two process sequences were developed which employ ion implantation and furnace or pulse annealing. A computer program was used to determine costs for junction formation by ion implantation and various furnace annealing cycles to demonstrate cost effectiveness of these methods.

Advances and directions of ion nitriding/carburizing

NASA Technical Reports Server (NTRS)

Spalvins, Talivaldis

1989-01-01

Ion nitriding and carburizing are plasma activated thermodynamic processes for the production of case hardened surface layers not only for ferrous materials, but also for an increasing number of nonferrous metals. When the treatment variables are properly controlled, the use of nitrogenous or carbonaceous glow discharge medium offers great flexibility in tailoring surface/near-surface properties independently of the bulk properties. The ion nitriding process has reached a high level of maturity and has gained wide industrial acceptance, while the more recently introduced ion carburizing process is rapidly gaining industrial acceptance. The current status of plasma mass transfer mechanisms into the surface regarding the formation of compound and diffusion layers in ion nitriding and carbon build-up ion carburizing is reviewed. In addition, the recent developments in design and construction of advanced equipment for obtaining optimized and controlled case/core properties is summarized. Also, new developments and trends such as duplex plasma treatments and alternatives to dc diode nitriding are highlighted.

Enthalpy of Formation for Cu–Zn–Sn–S (CZTS) Calculated from Surface Binding Energies Experimentally Measured by Ion Sputtering

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

Baryshev, Sergey V.; Thimsen, Elijah

2015-04-14

Herein, we report an analytical procedure to calculate the enthalpy of formation for thin film multinary compounds from sputtering rates measured during ion bombardment. The method is based on Sigmunds sputtering theory and the BornHaber cycle. Using this procedure, an enthalpy of formation for a CZTS film of the composition Cu1.9Zn1.5Sn0.8S4 was measured as -930 +/- 98 kJ mol1. This value is much more negative than the sum of the enthalpies of formation for the constituent binary compounds, meaning the multinary formation reaction is predicted to be exothermic. The measured enthalpy of formation was used to estimate the temperature dependencemore » of the Gibbs free energy of reaction, which appears consistent with many experimental reports in the CZTS processing literature.« less

Observation of gold sub-nanocluster nucleation within a crystalline protein cage

NASA Astrophysics Data System (ADS)

Maity, Basudev; Abe, Satoshi; Ueno, Takafumi

2017-03-01

Protein scaffolds provide unique metal coordination environments that promote biomineralization processes. It is expected that protein scaffolds can be developed to prepare inorganic nanomaterials with important biomedical and material applications. Despite many promising applications, it remains challenging to elucidate the detailed mechanisms of formation of metal nanoparticles in protein environments. In the present work, we describe a crystalline protein cage constructed by crosslinking treatment of a single crystal of apo-ferritin for structural characterization of the formation of sub-nanocluster with reduction reaction. The crystal structure analysis shows the gradual movement of the Au ions towards the centre of the three-fold symmetric channels of the protein cage to form a sub-nanocluster with accompanying significant conformational changes of the amino-acid residues bound to Au ions during the process. These results contribute to our understanding of metal core formation as well as interactions of the metal core with the protein environment.

Nanostructure formation and regulation during low-energy ion beam sputtering of fused silica surfaces

NASA Astrophysics Data System (ADS)

Liao, Wenlin; Dai, Yi-Fan; Nie, Xutao; Nie, Xuqing; Xu, Mingjin

2017-12-01

Ion beam sputtering (IBS) possesses strong surface nanostructuring behaviors, where dual microscopic phenomenon can be aroused to induce the formation of ultrasmooth surfaces or regular nanostructures. Low-energy IBS of fused silica surfaces is investigated to discuss the formation mechanism and the regulation of the IBS-induced nanostructures. The research results indicate that these microscopic phenomena can be attributed to the interaction of the IBS-induced surface roughening and smoothing effects, and the interaction process strongly depends on the sputtering conditions. Alternatively, ultrasmooth surface or regular nanostructure can be selectively generated through the regulation of the nanostructuring process, and the features of the generated nanostructures, such as amplitude and period, also can be regulated. Consequently, two different technology aims of nanofabrication, including nanometer-scale and nanometer-precision fabrication, can be realized, respectively. These dual microscopic mechanisms distinguish IBS as a promising nanometer manufacturing technology for the optical surfaces.

Prospects for reducing the processing cost of lithium ion batteries

DOE PAGES

Wood III, David L.; Li, Jianlin; Daniel, Claus

2014-11-06

A detailed processing cost breakdown is given for lithium-ion battery (LIB) electrodes, which focuses on: elimination of toxic, costly N-methylpyrrolidone (NMP) dispersion chemistry; doubling the thicknesses of the anode and cathode to raise energy density; and, reduction of the anode electrolyte wetting and SEI-layer formation time. These processing cost reduction technologies generically adaptable to any anode or cathode cell chemistry and are being implemented at ORNL. This paper shows step by step how these cost savings can be realized in existing or new LIB manufacturing plants using a baseline case of thin (power) electrodes produced with NMP processing and amore » standard 10-14-day wetting and formation process. In particular, it is shown that aqueous electrode processing can cut the electrode processing cost and energy consumption by an order of magnitude. Doubling the thickness of the electrodes allows for using half of the inactive current collectors and separators, contributing even further to the processing cost savings. Finally wetting and SEI-layer formation cost savings are discussed in the context of a protocol with significantly reduced time. These three benefits collectively offer the possibility of reducing LIB pack cost from $502.8 kWh-1-usable to $370.3 kWh-1-usable, a savings of $132.5/kWh (or 26.4%).« less

Low cost solar array project: Cell and module formation research area. Process research of non-CZ silicon material

NASA Technical Reports Server (NTRS)

1983-01-01

Meniscus coates tests, back junction formation using a new boron containing liquid, tests of various SiO2 and boron containing liquids, pelletized silicon for replenishment during web growth, and ion implantation compatibility/feasibility study are discussed.

Resonant recombination and autoionization in electron-ion collisions

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

Mueller, A.

1990-06-01

The occurence of resonances in elastic and inelastic electron-ion collisions is discussed. Resonant processes involve excitation of the ion with simultaneous capture of the initially free electron. The decay mechanism subsequent to the formation of the intermediate multiply excited state determines whether a resonance is found in recombination, excitation, elastic scattering, in single or even in multiple ionization. This review concentrates on resonances in the ionization channel. Correlated two-electron transitions are considered.

Simulations and observations of plasma depletion, ion composition, and airglow emissions in two auroral ionospheric depletion experiments

NASA Technical Reports Server (NTRS)

Yau, A. W.; Whalen, B. A.; Harris, F. R.; Gattinger, R. L.; Pongratz, M. B.

1985-01-01

Observations of plasma depletion, ion composition modification, and airglow emissions in the Waterhole experiments are presented. The detailed ion chemistry and airglow emission processes related to the ionospheric hole formation in the experiment are examined, and observations are compared with computer simulation results. The latter indicate that the overall depletion rates in different parts of the depletion region are governed by different parameters.

A corona discharge atmospheric pressure chemical ionization source with selective NO(+) formation and its application for monoaromatic VOC detection.

PubMed

Sabo, Martin; Matejčík, Štefan

2013-11-21

We have developed a new type of corona discharge (CD) for atmospheric pressure chemical ionization (APCI) for application in ion mobility spectrometry (IMS) as well as in mass spectrometry (MS). While the other CD-APCI sources are able to generate H3O(+)·(H2O)n as the major reactant ions in N2 or in zero air, the present CD-APCI source has the ability to generate up to 84% NO(+)·(H2O)n reactant ions in zero air. The change of the working gas from zero air to N2 allows us to change the major reactant ions from NO(+)·(H2O)n to H3O(+)·(H2O)n. In this paper we present the description of the new CD-APCI and discuss the processes associated with the NO(+) formation. The selective formation of NO(+)·(H2O)n reactant ions offers chemical ionization based on these ions which can be of great advantage for some classes of chemicals. We demonstrate here a significant increase in the sensitivity of the IMS-MS instrument for monoaromatic volatile organic compound (VOC) detection upon NO(+)·(H2O)n chemical ionization.

In-Situ RBS Channelling Studies Of Ion Implanted Semiconductors And Insulators

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

Wendler, E.

2011-06-01

The experimental set-up at the ion beam facility in Jena allows the performance of Rutherford backscattering spectrometry (RBS) in channeling configuration at any temperature between 15 K and room temperature without changing the environment or the temperature of the sample. Doing RBS channeling studies at 15 K increases the sensitivity to defects, because the influence of lattice vibrations is reduced. Thus, the very early processes of ion induced damage formation can be studied and the cross section of damage formation per ion in virgin material, P, can be determined. At 15 K ion-beam induced damage formation itself can be investigated,more » because the occurrence of thermal effects can be widely excluded. In AlAs, GaN, and ZnO the cross section P measured at 15 K can be used to estimate the displacement energy for the heavier component, which is in reasonable agreement with other experiments or theoretical calculations. For a given ion species (here Ar ions) the measured cross section P exhibits a quadratic dependence P{proportional_to}P{sub SRIM}{sup 2} with P{sub SRIM} being the value calculated with SRIM using established displacement energies from other sources. From these results the displacement energy of AlN can be estimated to about 40 eV. Applying the computer code DICADA to calculate the depth distribution of displaced lattice atoms from the channeling spectra, indirect information about the type of defects produced during ion implantation at 15 K can be obtained. In some materials like GaN or ZnO the results indicate the formation of extended defects most probably dislocation loops and thus suggest an athermal mobility of defect at 15 K.« less

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.

Impact and effects of simultaneous MeV-ion irradiation and helium plasma exposure to the formation of tungsten nano-tendrils

NASA Astrophysics Data System (ADS)

Wright, Graham; Kesler, Leigh Ann; Whyte, Dennis

2013-10-01

The extrusion of nano-tendrils from high temperature (>1000 K) tungsten (W) targets exposed to helium (He) plasma ions remains a concern for future fusion reactors. Previous work on the Alcator C-Mod tokamak has demonstrated it is possible to form these structures in a tokamak environment. However, one area where Alcator C-Mod and a fusion reactor differ is total neutron flux at the wall and the displacement damage these neutrons produce in the plasma-facing materials. This dsiplacement damage may affect the size and number He bubbles precipitating in the W target, which is a key factor in the formation and growth of the nano-tendrils. The DIONISOS experiment directly measures the impact of the displacement damage by simultaneously bombarding high temperature W targets with MeV-range ions (to simulate the displacement damage caused by neutron flux) and high flux of He plasma ions. Different combinations of irradiating ion species and W target temperatures are used to vary the different processes and rates that are involved such as He trapping rate, vacancy production and annealing rates, and nano-tendril growth rate. The nano-tendril growth is characterized by SEM imaging and focused ion beam (FIB) cross-sectioning and compared to nano-tendril formation without the presence of the irradiating ion beam. This work is supported by US DOE award DE-SC00-02060.

Ferric ion as a scavenging agent in a solvent extraction process

DOEpatents

Bruns, Lester E.; Martin, Earl C.

1976-01-01

Ferric ions are added into the aqueous feed of a plutonium scrap recovery process that employs a tributyl phosphate extractant. Radiolytic degradation products of tributyl phosphate such as dibutyl phosphate form a solid precipitate with iron and are removed from the extraction stages via the waste stream. Consequently, the solvent extraction characteristics are improved, particularly in respect to minimizing the formation of nonstrippable plutonium complexes in the stripping stages. The method is expected to be also applicable to the partitioning of plutonium and uranium in a scrap recovery process.

Lithium formate ion clusters formation during electrospray ionization: Evidence of magic number clusters by mass spectrometry and ab initio calculations

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

Shukla, Anil, E-mail: Anil.Shukla@pnnl.gov; Bogdanov, Bogdan

2015-02-14

Small cationic and anionic clusters of lithium formate were generated by electrospray ionization and their fragmentations were studied by tandem mass spectrometry (collision-induced dissociation with N{sub 2}). Singly as well as multiply charged clusters were formed in both positive and negative ion modes with the general formulae, (HCOOLi){sub n}Li{sup +}, (HCOOLi){sub n}Li{sub m}{sup m+}, (HCOOLi){sub n}HCOO{sup −}, and (HCOOLi){sub n}(HCOO){sub m}{sup m−}. Several magic number cluster (MNC) ions were observed in both the positive and negative ion modes although more predominant in the positive ion mode with (HCOOLi){sub 3}Li{sup +} being the most abundant and stable cluster ion. Fragmentations ofmore » singly charged positive clusters proceed first by the loss of a dimer unit ((HCOOLi){sub 2}) followed by the loss of monomer units (HCOOLi) although the former remains the dominant dissociation process. In the case of positive cluster ions, all fragmentations lead to the magic cluster (HCOOLi){sub 3}Li{sup +} as the most abundant fragment ion at higher collision energies which then fragments further to dimer and monomer ions at lower abundances. In the negative ion mode, however, singly charged clusters dissociated via sequential loss of monomer units. Multiply charged clusters in both positive and negative ion modes dissociated mainly via Coulomb repulsion. Quantum chemical calculations performed for smaller cluster ions showed that the trimer ion has a closed ring structure similar to the phenalenylium structure with three closed rings connected to the central lithium ion. Further additions of monomer units result in similar symmetric structures for hexamer and nonamer cluster ions. Thermochemical calculations show that trimer cluster ion is relatively more stable than neighboring cluster ions, supporting the experimental observation of a magic number cluster with enhanced stability.« less

Fabrication and characterization of a co-planar detector in diamond for low energy single ion implantation

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

Abraham, John Bishoy Sam; Pacheco, Jose L.; Aguirre, Brandon Adrian

2016-08-09

We demonstrate low energy single ion detection using a co-planar detector fabricated on a diamond substrate and characterized by ion beam induced charge collection. Histograms are taken with low fluence ion pulses illustrating quantized ion detection down to a single ion with a signal-to-noise ratio of approximately 10. We anticipate that this detection technique can serve as a basis to optimize the yield of single color centers in diamond. In conclusion, the ability to count ions into a diamond substrate is expected to reduce the uncertainty in the yield of color center formation by removing Poisson statistics from the implantationmore » process.« less

Lipid domains in zwitterionic-anionic lipid mixtures induced by combined effect of monovalent and divalent ions

NASA Astrophysics Data System (ADS)

Xu, Hongcheng; Ganesan, Sai; Matysiak, Silvina

Lipid domain formation is an important process for many cellular processes. In experiment, the effects of Ba2+, Sr2+, Ca2+ and Mg2+ in inducing lateral phase separation in the binary phosphatidylcholine-phosphatidylserine (PC-PS) bilayer are quite different, of which the molecular mechanism remains to be understood. We have explored the effect of monovalent (MI) and divalent (MII) cationic radii on lipid domain formation in mixed zwitterionic-anionic lipid bilayers. We propose a mechanism for the formation of divalent-cation-induced lipid domains based on MD simulations with our Water-Explicit Polarizable MEMbrane (WEPMEM) coarse-grained model, which uses PC as the model for zwitterionic and PS for anionic lipids. Lipid aggregation only occurs with limited range of monovalent and divalent ion sizes in agreement with experimental observations. More ordering and closer packing of the lipids are noted within the domains, which correlate with bilayer thickness, curvature and lipid asymmetry. The results of the simulations reveal that the lipid domain consists of MII-mediated anionic lipid dimer/trimer complexes bridged by monovalent ions MI and provide a stereochemical insight in understanding the experimentally observed calcium-induced phase separation.

Vibrational Spectroscopic Studies on the Formation of Ion-exchangeable Titania Nanotubes

NASA Astrophysics Data System (ADS)

Hodos, Mária; Haspel, Henrik; Horváth, Endre; Kukovecz, Ákos; Kónya, Zoltán; Kiricsi, Imre

2005-09-01

Ion-exchangeable titanium-oxide nanotubes have commanded considerable interest from the materials science community in the past five years. Synthesized under hydrothermal conditions from TiO2, typical nanotubes are 150-200 nm long and 8-20 nm wide. High resolution TEM images revealed that unlike multiwall carbon nanotubes which are made of coaxial single-wall nanotubes, the titania tubes possess a spiral cross-section. An interesting feature of the titania tubes is their considerable ion-exchange capacity which could be utilized e.g. for enhancing their photocatalytic activity by doping the titania tubes with CdS nanoparticles. In this contribution we present a comprehensive TEM, FT-Raman and FT-farIR characterization study of the formation process.

Kinematic study of O--ion formation from dissociative electron attachment to SO2

NASA Astrophysics Data System (ADS)

Jana, Irina; Nandi, Dhananjay

2018-04-01

We report a complete kinematic study of O--ion formation due to dissociative electron attachment to SO2 using the velocity slice imaging technique in the incident electron energy range over the resonances. Two resonances are observed at 5.2 and 7.5 eV, respectively. From the kinetic energy distribution, the two resonances are observed to have the same threshold energy, pointing to the fact that the two processes, giving rise to the two resonant peaks, have the same dissociation limit. From the angular distribution results we identified the involvement of an A1 and a combination of A1+B2 temporary negative-ion state(s) for the first and second resonances, respectively.

Zn nanoparticle formation in FIB irradiated single crystal ZnO

NASA Astrophysics Data System (ADS)

Pea, M.; Barucca, G.; Notargiacomo, A.; Di Gaspare, L.; Mussi, V.

2018-03-01

We report on the formation of Zn nanoparticles induced by Ga+ focused ion beam on single crystal ZnO. The irradiated materials have been studied as a function of the ion dose by means of atomic force microscopy, scanning electron microscopy, Raman spectroscopy and transmission electron microscopy, evidencing the presence of Zn nanoparticles with size of the order of 5-30 nm. The nanoparticles are found to be embedded in a shallow amorphous ZnO matrix few tens of nanometers thick. Results reveal that ion beam induced Zn clustering occurs producing crystalline particles with the same hexagonal lattice and orientation of the substrate, and could explain the alteration of optical and electrical properties found for FIB fabricated and processed ZnO based devices.

Plasma ignition and steady state simulations of the Linac4 H- ion source

NASA Astrophysics Data System (ADS)

Mattei, S.; Ohta, M.; Yasumoto, M.; Hatayama, A.; Lettry, J.; Grudiev, A.

2014-02-01

The RF heating of the plasma in the Linac4 H- ion source has been simulated using a particle-in-cell Monte Carlo collision method. This model is applied to investigate the plasma formation starting from an initial low electron density of 1012 m-3 and its stabilization at 1018 m-3. The plasma discharge at low electron density is driven by the capacitive coupling with the electric field generated by the antenna, and as the electron density increases the capacitive electric field is shielded by the plasma and induction drives the plasma heating process. Plasma properties such as e-/ion densities and energies, sheath formation, and shielding effect are presented and provide insight to the plasma properties of the hydrogen plasma.

Microstructures of Randall's plaques and their interfaces with calcium oxalate monohydrate kidney stones reflect underlying mineral precipitation mechanisms.

PubMed

Sethmann, Ingo; Wendt-Nordahl, Gunnar; Knoll, Thomas; Enzmann, Frieder; Simon, Ludwig; Kleebe, Hans-Joachim

2017-06-01

Randall's plaques (RP) are preferred sites for the formation of calcium oxalate monohydrate (COM) kidney stones. However, although processes of interstitial calcium phosphate (CaP) plaque formation are not well understood, the potential of plaque microstructures as indicators of CaP precipitation conditions received only limited attention. We investigated RP-associated COM stones for structural details of the calcified tissues and microstructural features of plaque-stone interfaces as indicators of the initial processes of stone formation. Significantly increased CaP supersaturation can be expected for interstitial fluid, if reabsorbed ions from the tubular system continuously diffuse into the collagenous connective tissue. Densely packed, fine-grained CaP particles were found in dense textures of basement membranes while larger, laminated particles were scattered in coarse-meshed interstitial tissue, which we propose to be due to differential spatial confinements and restrictions of ion diffusion. Particle morphologies suggest an initial precipitation as metastable amorphous calcium phosphate (ACP). Morphologies and arrangements of first COM crystals at the RP-stone interface ranged from stacked euhedral platelets to skeletal morphologies and even porous, dendritic structures, indicating, in this order, increasing levels of COM supersaturation. Furthermore, these first COM crystals were often coated with CaP. On this basis, we propose that ions from CaP-supersaturated interstitial fluid may diffuse through porous RP into the urine, where a resulting local increase in COM supersaturation could trigger crystal nucleation and, hence, initiate stone formation. Ion-depleted fluid in persistent pores of initial COM layers may get replenished from interstitial fluid, leading to CaP precipitation in porous COM.

Plasma in a Pulsed Discharge Environment

NASA Technical Reports Server (NTRS)

Remy, J.; Bienier, L.; Salama, F.

2005-01-01

The plasma generated in a pulsed slit discharge nozzle is used to form molecular ions in an astrophysically relevant environment. The plasma has been characterized as a glow discharge in the abnormal regime. Laboratory studies help understand the formation processes of polycyclic aromatic hydrocarbon (PAH) ions that are thought to be the source of the ubiquitous unidentified infrared bands.

Thermal Decomposition Of Hydroxylamine Nitrate

NASA Astrophysics Data System (ADS)

Oxley, Jimmie C.; Brower, Kay R.

1988-05-01

used hydroxylamine nitrate decomposes within a few minutes in the temperature range 130-140°C. Added ammonium ion is converted to N2, while hydrazinium ion is converted to HN3. Nitrous acid is an intermediate and its formation is rate-determining. A hygride transfer process is postulated. The reaction pathways have been elucidated by use of N tracers.

Formation of a highly doped ultra-thin amorphous carbon layer by ion bombardment of graphene.

PubMed

Michałowski, Paweł Piotr; Pasternak, Iwona; Ciepielewski, Paweł; Guinea, Francisco; Strupiński, Włodek

2018-07-27

Ion bombardment of graphene leads to the formation of defects which may be used to tune properties of the graphene based devices. In this work, however, we present that the presence of the graphene layer on a surface of a sample has a significant impact on the ion bombardment process: broken sp 2 bonds react with the incoming ions and trap them close to the surface of the sample, preventing a standard ion implantation. For an ion bombardment with a low impact energy and significant dose (in the range of 10 14 atoms cm -2 ) an amorphization of the graphene layer is observed but at the same time, most of the incoming ions do not penetrate the sample but stop at the surface, thus forming a highly doped ultra-thin amorphous carbon layer. The effect may be used to create thin layers containing desired atoms if no other technique is available. This approach is particularly useful for secondary ion mass spectrometry where a high concentration of Cs at the surface of a sample significantly enhances the negative ionization probability, allowing it to reach better detection limits.

Formation of a highly doped ultra-thin amorphous carbon layer by ion bombardment of graphene

NASA Astrophysics Data System (ADS)

Piotr Michałowski, Paweł; Pasternak, Iwona; Ciepielewski, Paweł; Guinea, Francisco; Strupiński, Włodek

2018-07-01

Ion bombardment of graphene leads to the formation of defects which may be used to tune properties of the graphene based devices. In this work, however, we present that the presence of the graphene layer on a surface of a sample has a significant impact on the ion bombardment process: broken sp2 bonds react with the incoming ions and trap them close to the surface of the sample, preventing a standard ion implantation. For an ion bombardment with a low impact energy and significant dose (in the range of 1014 atoms cm‑2) an amorphization of the graphene layer is observed but at the same time, most of the incoming ions do not penetrate the sample but stop at the surface, thus forming a highly doped ultra-thin amorphous carbon layer. The effect may be used to create thin layers containing desired atoms if no other technique is available. This approach is particularly useful for secondary ion mass spectrometry where a high concentration of Cs at the surface of a sample significantly enhances the negative ionization probability, allowing it to reach better detection limits.

Fouling on ion-exchange membranes: Classification, characterization and strategies of prevention and control.

PubMed

Mikhaylin, Sergey; Bazinet, Laurent

2016-03-01

The environmentally friendly ion-exchange membrane (IEM) processes find more and more applications in the modern industries in order to demineralize, concentrate and modify products. Moreover, these processes may be applied for the energy conversion and storage. However, the main drawback of the IEM processes is a formation of fouling, which significantly decreases the process efficiency and increases the process cost. The present review is dedicated to the problematic of IEM fouling phenomena. Firstly, the major types of IEM fouling such as colloidal fouling, organic fouling, scaling and biofouling are discussed along with consideration of the main factors affecting fouling formation and development. Secondly, the review of the possible methods of IEM fouling characterization is provided. This section includes the methods of fouling visualization and characterization as well as methods allowing investigations of characteristics of the fouled IEMs. Eventually, the reader will find the conventional and modern strategies of prevention and control of different fouling types. Copyright © 2015 Elsevier B.V. All rights reserved.

Regioselectivity in the gas-phase reactions of the O- radical anion with ([eta]5-cyclopentadienyl)tricarbonylmanganese(I) and ([eta]5-methylcyclopentadienyl)tricarbonylmanganese(I): formation and structure of C5H5MnO-n and C6H7MnO-n (n = 1, 2) ions

NASA Astrophysics Data System (ADS)

van den Berg, Klaas Jan; Ingemann, Steen; Nibbering, Nico M. M.

1994-06-01

The gas-phase reactions of the O- ion with ([eta]5-cyclopentadienyl)tricarbonylmanganese(I), CpMn(CO)3, and ([eta]5-methylcyclopentadienyl)tricarbonylmanganese(I), CH3CpMn(CO)3, have been studied with Fourier transform ion cyclotron resonance. The main reactions are (i) proton abstraction, (ii) loss of CO2, and (iii) expulsion of two or three CO molecules from the collision complex. Initial attack on a CO ligand is the main process as indicated by experiments with 18O- and the ion/molecule reactions of the product ions resulting from the loss of three CO molecules with water, aliphatic alcohols, methanethiol and SO2. The attack on a CO ligand followed by loss of three CO molecules is suggested to yield C5H5MnO- ions with a (cyclopentadienone)MnH- structure in the reaction with CpMn(CO)3 and (methylcyclopentadienone)MnH- ions if CH3CpMn(CO)3 is the substrate. A possible mechanism for the process leading to the indicated transformation of the Cp and CH3Cp ligands into C5H4O and CH3C5H3O ligands, respectively, is discussed together with the formation of (fulvene)Mn(OH)- ions following attack of O- on CH3CpMn(CO)3. The (cyclopentadienone)MnH- and (methylcyclopentadienone)MnH- ions react with N2O by oxygen atom abstraction to form C5H5MnO-2 and C6H7MnO-2 ions, respectively.

Surface Passivation and Junction Formation Using Low Energy Hydrogen Implants

NASA Technical Reports Server (NTRS)

Fonash, S. J.

1985-01-01

New applications for high current, low energy hydrogen ion implants on single crystal and polycrystal silicon grain boundaries are discussed. The effects of low energy hydrogen ion beams on crystalline Si surfaces are considered. The effect of these beams on bulk defects in crystalline Si is addressed. Specific applications of H+ implants to crystalline Si processing are discussed. In all of the situations reported on, the hydrogen beams were produced using a high current Kaufman ion source.

Investigation of metal ions sorption of brown peat moss powder

NASA Astrophysics Data System (ADS)

Kelus, Nadezhda; Blokhina, Elena; Novikov, Dmitry; Novikova, Yaroslavna; Chuchalin, Vladimir

2017-11-01

For regularities research of sorptive extraction of heavy metal ions by cellulose and its derivates from aquatic solution of electrolytes it is necessary to find possible mechanism of sorption process and to choice a model describing this process. The present article investigates the regularities of aliovalent metals sorption on brown peat moss powder. The results show that sorption isotherm of Al3+ ions is described by Freundlich isotherm and sorption isotherms of Na+ i Ni2+ are described by Langmuir isotherm. To identify the mechanisms of brown peat moss powder sorption the IR-spectra of the initial brown peat moss powder samples and brown peat moss powder samples after Ni (II) sorption were studied. Metal ion binding mechanisms by brown peat moss powder points to ion exchange, physical adsorption, and complex formation with hydroxyl and carboxyl groups.

Carbon-containing compounds on fusion-related surfaces: Thermal and ion-induced formation and erosion

NASA Astrophysics Data System (ADS)

Linsmeier, Christian

2004-12-01

The deposition of carbon on metals is the unavoidable consequence of the application of different wall materials in present and future fusion experiments like ITER. Presently used and prospected materials besides carbon (CFC materials in high heat load areas) are tungsten and beryllium. The simultaneous application of different materials leads to the formation of surface compounds due to the erosion, transport and re-deposition of material during plasma operations. The formation and erosion processes are governed by widely varying surface temperatures and kinetic energies as well as the spectrum of impinging particles from the plasma. The knowledge of the dependence on these parameters is crucial for the understanding and prediction of the compound formation on wall materials. The formation of surface layers is of great importance, since they not only determine erosion rates, but also influence the ability of the first wall for hydrogen isotope inventory accumulation and release. Surface compound formation, diffusion and erosion phenomena are studied under well-controlled ultra-high vacuum conditions using in-situ X-ray photoelectron spectroscopy (XPS) and ion beam analysis techniques available at a 3 MV tandem accelerator. XPS provides chemical information and allows distinguishing elemental and carbidic phases with high surface sensitivity. Accelerator-based spectroscopies provide quantitative compositional analysis and sensitivity for deuterium in the surface layers. Using these techniques, the formation of carbidic layers on metals is studied from room temperature up to 1700 K. The formation of an interfacial carbide of several monolayers thickness is not only observed for metals with exothermic carbide formation enthalpies, but also in the cases of Ni and Fe which form endothermic carbides. Additional carbon deposited at 300 K remains elemental. Depending on the substrate, carbon diffusion into the bulk starts at elevated temperatures together with additional carbide formation. Depending on the bond nature in the carbide (metallic in the transition metal carbides, ionic e.g. in Be2C), the surface carbide layer is dissolved upon further increased temperatures or remains stable. Carbide formation can also be initiated by ion bombardment, both of chemically inert noble gas ions or C+ or CO+ ions. In the latter case, a deposition-erosion equilibrium develops which leads to a ternary surface layer of constant thickness. A chemical erosion channel is also discussed for the enhanced erosion of thin carbon films on metals by deuterium ions.

The mutual co-regulation of extracellular polymeric substances and iron ions in biocorrosion of cast iron pipes.

PubMed

Jin, Juntao; Guan, Yuntao

2014-10-01

New insights into the biocorrosion process may be gained through understanding of the interaction between extracellular polymeric substances (EPS) and iron. Herein, the effect of iron ions on the formation of biofilms and production of EPS was investigated. Additionally, the impact of EPS on the corrosion of cast iron coupons was explored. The results showed that a moderate concentration of iron ions (0.06 mg/L) promoted both biofilm formation and EPS production. The presence of EPS accelerated corrosion during the initial stage, while inhibited corrosion at the later stage. The functional groups of EPS acted as electron shuttles to enable the binding of iron ions. Binding of iron ions with EPS led to anodic dissolution and promoted corrosion, while corrosion was later inhibited through oxygen reduction and availability of phosphorus from EPS. The presence of EPS also led to changes in crystalline phases of corrosion products. Copyright © 2014 Elsevier Ltd. All rights reserved.

Using corona discharge-ion mobility spectrometry for detection of 2,4,6-Trichloroanisole.

PubMed

Lichvanová, Zuzana; Ilbeigi, Vahideh; Sabo, Martin; Tabrizchi, Mahmoud; Matejčík, Stefan

2014-09-01

In this work possible application of the corona discharge-ion mobility spectrometer (CD-IMS) for detection of 2,4,6-Trichloroanisole (TCA) has been investigated. We applied CD-IMS interfaced with orthogonal acceleration time of flight mass spectrometer (CD-IMS-oaTOF) to study the ion processes within the CD-IMS technique. The CD-IMS instrument was operated in two modes, (i) standard and (ii) reverse flow modes resulting in different chemical ionisation schemes by NO3(-)(HNO3)n (n=0,1,2) and O2(-)(H2O)n (n=0,1,2), respectively. The O2(-)(H2O)n ionisation was associated with formation of Cl(-) and (TCA-CH3)(-) ions from TCA. The NO3(-)(HNO3)n ionisation, resulted in formation of NO3(-)(HNO3)(TCA-Cl) adduct ions. Limit of detection (LOD) for TCA was determined in gas (100 ppb) and solid phases (150 ng). Copyright © 2014 Elsevier B.V. All rights reserved.

Formation of Sn-M (M=Fe, Al, Ni) alloy nanoparticles by DC arc-discharge and their electrochemical properties as anodes for Li-ion batteries

NASA Astrophysics Data System (ADS)

Gao, Song; Huang, Hao; Wu, Aimin; Yu, Jieyi; Gao, Jian; Dong, Xinglong; Liu, Chunjing; Cao, Guozhong

2016-10-01

A direct current arc-discharge method was applied to prepare the Sn-M (M=Fe, Al, Ni) bi-alloy nanoparticles. Thermodynamic is introduced to analyze the energy circumstances for the formation of the nanoparticles during the physical condensation process. The electrochemical properties of as-prepared Sn-M alloy nanoparticles are systematically investigated as anodes of Li-ion batteries. Among them, Sn-Fe nanoparticles electrode exhibits high Coulomb efficiency (about 71.2%) in the initial charge/discharge (257.9 mA h g-1/366.6 mA h g-1) and optimal cycle stability (a specific reversible capacity of 240 mA h g-1 maintained after 20 cycles) compared with others. Large differences in the electrochemical behaviors indicate that the chemical composition and microstructure of the nanoparticles determine the lithium-ion storage properties and the long-term cyclic stability during the charge/discharge process.

Comparison between cylindrical and prismatic lithium-ion cell costs using a process based cost model

NASA Astrophysics Data System (ADS)

Ciez, Rebecca E.; Whitacre, J. F.

2017-02-01

The relative size and age of the US electric vehicle market means that a few vehicles are able to drive market-wide trends in the battery chemistries and cell formats on the road today. Three lithium-ion chemistries account for nearly all of the storage capacity, and half of the cells are cylindrical. However, no specific model exists to examine the costs of manufacturing these cylindrical cells. Here we present a process-based cost model tailored to the cylindrical lithium-ion cells currently used in the EV market. We examine the costs for varied cell dimensions, electrode thicknesses, chemistries, and production volumes. Although cost savings are possible from increasing cell dimensions and electrode thicknesses, economies of scale have already been reached, and future cost reductions from increased production volumes are minimal. Prismatic cells, which are able to further capitalize on the cost reduction from larger formats, can offer further reductions than those possible for cylindrical cells.

Development of novel nanocomposite adsorbent based on potassium nickel hexacyanoferrate-loaded polypropylene fabric.

PubMed

Bondar, Yuliia; Kuzenko, Svetlana; Han, Do-Hung; Cho, Hyun-Kug

2014-01-01

A nanocomposite adsorbent based on potassium nickel hexacyanoferrate-loaded polypropylene fabric was synthesized for selective removal of Cs ions from contaminated waters by a two-stage synthesis: radiation-induced graft polymerization of acrylic acid monomer onto the nonwoven polypropylene fabric surface with subsequent in situ formation of potassium nickel hexacyanoferrate (KNiHCF) nanoparticles within the grafted chains. Data of scanning electron microscopy, X-ray diffraction, and Fourier transform infrared spectroscopy confirmed the formation of KNiHCF homogeneous phase on the fabric surface, which consisted of crystalline cubic-shaped nanoparticles (70 to 100 nm). The efficiency of the synthesized adsorbent for removal of cesium ions was evaluated under various experimental conditions. It has demonstrated a rapid adsorption process, high adsorption capacity over a wide pH range, and selectivity in Cs ion removal from model solutions with high concentration of sodium ions.

Development of novel nanocomposite adsorbent based on potassium nickel hexacyanoferrate-loaded polypropylene fabric

PubMed Central

2014-01-01

A nanocomposite adsorbent based on potassium nickel hexacyanoferrate-loaded polypropylene fabric was synthesized for selective removal of Cs ions from contaminated waters by a two-stage synthesis: radiation-induced graft polymerization of acrylic acid monomer onto the nonwoven polypropylene fabric surface with subsequent in situ formation of potassium nickel hexacyanoferrate (KNiHCF) nanoparticles within the grafted chains. Data of scanning electron microscopy, X-ray diffraction, and Fourier transform infrared spectroscopy confirmed the formation of KNiHCF homogeneous phase on the fabric surface, which consisted of crystalline cubic-shaped nanoparticles (70 to 100 nm). The efficiency of the synthesized adsorbent for removal of cesium ions was evaluated under various experimental conditions. It has demonstrated a rapid adsorption process, high adsorption capacity over a wide pH range, and selectivity in Cs ion removal from model solutions with high concentration of sodium ions. PMID:24725367

Nanopatterning dynamics on Si(100) during oblique 40-keV Ar+ erosion with metal codeposition: Morphological and compositional correlation

NASA Astrophysics Data System (ADS)

Redondo-Cubero, A.; Gago, R.; Palomares, F. J.; Mücklich, A.; Vinnichenko, M.; Vázquez, L.

2012-08-01

The formation and dynamics of nanopatterns produced on Si(100) surfaces by 40-keV Ar+ oblique (α = 60°) bombardment with concurrent Fe codeposition have been studied. Morphological and chemical analysis has been performed by ex situ atomic force microscopy, Rutherford backscattering spectrometry, x-ray photoelectron spectroscopy, and scanning and transmission electron microscopies. During irradiation, Fe atoms incorporated into the target surface react with Si to form silicides, a process enhanced at this medium-ion energy range. The silicides segregate at the nanoscale from the early irradiation stages. As the irradiation proceeds, a ripple pattern is formed without any correlation with silicide segregation. From the comparison with the pattern dynamics reported previously for metal-free conditions, it is demonstrated that the metal incorporation alters both the pattern dynamics and the morphology. Although the pattern formation and dynamics are delayed for decreasing metal content, once ripples emerge, the same qualitative pattern of morphological evolution is observed for different metal content, resulting in an asymptotic saw-tooth-like facetted surface pattern. Despite the medium ion energy employed, the nanopatterning process with concurrent Fe deposition can be explained by those mechanisms proposed for low-ion energy irradiations such as shadowing, height fluctuations, silicide formation and segregation, ensuing composition dependent sputter rate, and ion sculpting effects. In particular, the interplay between the ion irradiation and metal flux geometries, differences in sputtering rates, and the surface pattern morphology produces a dynamic compositional patterning correlated with the evolving morphological one.

Ion Channels in Brain Metastasis

PubMed Central

Klumpp, Lukas; Sezgin, Efe C.; Eckert, Franziska; Huber, Stephan M.

2016-01-01

Breast cancer, lung cancer and melanoma exhibit a high metastatic tropism to the brain. Development of brain metastases severely worsens the prognosis of cancer patients and constrains curative treatment options. Metastasizing to the brain by cancer cells can be dissected in consecutive processes including epithelial–mesenchymal transition, evasion from the primary tumor, intravasation and circulation in the blood, extravasation across the blood–brain barrier, formation of metastatic niches, and colonization in the brain. Ion channels have been demonstrated to be aberrantly expressed in tumor cells where they regulate neoplastic transformation, malignant progression or therapy resistance. Moreover, many ion channel modulators are FDA-approved drugs and in clinical use proposing ion channels as druggable targets for future anti-cancer therapy. The present review article aims to summarize the current knowledge on the function of ion channels in the different processes of brain metastasis. The data suggest that certain channel types involving voltage-gated sodium channels, ATP-release channels, ionotropic neurotransmitter receptors and gap junction-generating connexins interfere with distinct processes of brain metastazation. PMID:27618016

Processing method for forming dislocation-free SOI and other materials for semiconductor use

DOEpatents

Holland, Orin Wayne; Thomas, Darrell Keith; Zhou, Dashun

1997-01-01

A method for preparing a silicon-on-insulator material having a relatively defect-free Si overlayer involves the implanting of oxygen ions within a silicon body and the interruption of the oxygen-implanting step to implant Si ions within the silicon body. The implanting of the oxygen ions develops an oxide layer beneath the surface of the silicon body, and the Si ions introduced by the Si ion-implanting step relieves strain which is developed in the Si overlayer during the implanting step without the need for any intervening annealing step. By relieving the strain in this manner, the likelihood of the formation of strain-induced defects in the Si overlayer is reduced. In addition, the method can be carried out at lower processing temperatures than have heretofore been used with SIMOX processes of the prior art. The principles of the invention can also be used to relieve negative strain which has been induced in a silicon body of relatively ordered lattice structure.

Electronic excitation effects on nanoparticle formation in insulators under heavy-ion implantation

NASA Astrophysics Data System (ADS)

Kishimoto, N.; Plaksin, O. A.; Masuo, K.; Okubo, N.; Umeda, N.; Takeda, Y.

2006-01-01

Kinetic processes of nanoparticle formation by ion implantation was studied for the insulators of a-SiO2, LiNbO3, MgO · 2.4(Al2O3) and PMMA, either by changing ion flux or by using a co-irradiation technique of ions and photons. Under Cu-implantation of 60 keV Cu-, nanoparticles spontaneously formed without thermal annealing, indicating radiation-induced diffusion of implants. The high-flux implantation caused instable behaviors of nanoparticle morphology in a-SiO2, LiNbO3 and PMMA, i.e. enhanced atomic rearrangement or loss of nanoparticles. The spinel MgO · 2.4(Al2O3) also showed nanoparticle precipitation at 60 keV, but the precipitation tendency is less than the others. Combined irradiation of 3 MeV Cu ions and photons of 2.3 eV or 3.5 eV indicates that the electronic excitation during ion implantation significantly enhances nanoparticle precipitation, greatly depending on photon energy and fluence. The selectivity for photons can be applied to control nanoparticle precipitation.

Investigation of MeV-Cu implantation and channeling effects into porous silicon formation

NASA Astrophysics Data System (ADS)

Ahmad, M.; Naddaf, M.

2011-11-01

P-type (1 1 1) silicon wafers were implanted by copper ions (2.5 MeV) in channeling and random directions using ion beam accelerator of the Atomic Energy Commission of Syria (AECS). The effect of implantation direction on formation process of porous silicon (PS) using electrochemical etching method has been investigated using scanning electron microscope (SEM) and photoluminescence (PL) techniques. SEM observations revealed that the size, shape and density of the formed pores are highly affected by the direction of beam implantation. This in turn is seen to influence the PL behavior of the PS.

An efficient approach to integrated MeV ion imaging.

PubMed

Nikbakht, T; Kakuee, O; Solé, V A; Vosuoghi, Y; Lamehi-Rachti, M

2018-03-01

An ionoluminescence (IL) spectral imaging system, besides the common MeV ion imaging facilities such as µ-PIXE and µ-RBS, is implemented at the Van de Graaff laboratory of Tehran. A versatile processing software is required to handle the large amount of data concurrently collected in µ-IL and common MeV ion imaging measurements through the respective methodologies. The open-source freeware PyMca, with image processing and multivariate analysis capabilities, is employed to simultaneously process common MeV ion imaging and µ-IL data. Herein, the program was adapted to support the OM_DAQ listmode data format. The appropriate performance of the µ-IL data acquisition system is confirmed through a case study. Moreover, the capabilities of the software for simultaneous analysis of µ-PIXE and µ-RBS experimental data are presented. Copyright © 2017 Elsevier B.V. All rights reserved.

Impacts of Spontaneous Hot Flow Anomalies on the Magnetosheath and Magnetopause

NASA Technical Reports Server (NTRS)

Omidi, N.; Berchem, J.; Sibeck, D.; Zhang, H.

2016-01-01

Spacecraft observations and global hybrid (kinetic ions and fluid electrons) simulations have demonstrated that ion dissipation processes at the quasi-parallel bow shock are associated with the formation of structures called spontaneous hot flow anomalies (SHFAs). Previous simulations and recent spacecraft observations have also established that SHFAs result in the formation of magnetosheath filamentary structures(MFS). In this paper we demonstrate that in addition to MFS, SHFAs also result in the formation of magnetos heath cavities that are associated with decreases in density, velocity, and magnetic field and enhancements in temperature. We use the results of a global MHD run to determine the change in the magnetosheath properties associated with cavities due to ion kinetic effects. The results also show the formation of regions of high flow speed called magnetosheath jets whose properties as a function of solar wind Mach number are described in this study. Comparing the properties of the simulated magnetosheath cavities and jets to past spacecraft observations provides good agreement in both cases. We also demonstrate that pressure variations associated with cavities and SHFAs in the sheath result in a continuous sunward and anti sunward magnetopause motion. This result is consistent with previous suggestions that SHFAs may be responsible for the generation of ion cyclotron waves and precipitation of ring current protons in the outer magnetosphere.

Impacts of spontaneous hot flow anomalies on the magnetosheath and magnetopause

NASA Astrophysics Data System (ADS)

Omidi, N.; Berchem, J.; Sibeck, D.; Zhang, H.

2016-04-01

Spacecraft observations and global hybrid (kinetic ions and fluid electrons) simulations have demonstrated that ion dissipation processes at the quasi-parallel bow shock are associated with the formation of structures called spontaneous hot flow anomalies (SHFAs). Previous simulations and recent spacecraft observations have also established that SHFAs result in the formation of magnetosheath filamentary structures (MFS). In this paper we demonstrate that in addition to MFS, SHFAs also result in the formation of magnetosheath cavities that are associated with decreases in density, velocity, and magnetic field and enhancements in temperature. We use the results of a global MHD run to determine the change in the magnetosheath properties associated with cavities due to ion kinetic effects. The results also show the formation of regions of high flow speed called magnetosheath jets whose properties as a function of solar wind Mach number are described in this study. Comparing the properties of the simulated magnetosheath cavities and jets to past spacecraft observations provides good agreement in both cases. We also demonstrate that pressure variations associated with cavities and SHFAs in the sheath result in a continuous sunward and antisunward magnetopause motion. This result is consistent with previous suggestions that SHFAs may be responsible for the generation of ion cyclotron waves and precipitation of ring current protons in the outer magnetosphere.

Promotion of Water Channels for Enhanced Ion Transport in 14 nm Diameter Carbon Nanotubes.

PubMed

Sheng, Jiadong; Zhu, Qi; Zeng, Xian; Yang, Zhaohui; Zhang, Xiaohua

2017-03-29

Ion transport plays an important role in solar-to-electricity conversion, drug delivery, and a variety of biological processes. Carbon nanotube (CNT) is a promising material as an ion transporter in the applications of the mimicking of natural ion channels, desalination, and energy harvesting. Here, we demonstrate a unique, enhanced ion transport through a vertically aligned multiwall CNT membrane after the application of an electric potential across CNT membranes. Interestingly, electrowetting arising from the application of an electric potential is critical for the enhancement of overall ion transport rate through CNT membranes. The wettability of a liquid with high surface tension on the interior channel walls of CNTs increases during an electric potential treatment and promotes the formation of water channels in CNTs. The formation of water channels in CNTs induces an increase in overall ion diffusion through CNT membranes. This phenomenon is also related to a decrease in the charge transfer resistance of CNTs (R ct ) after an electric potential is applied. Correspondingly, the enhanced ion flow rate gives rise to an enhancement in the capacitive performance of CNT based membranes. Our observations might have profound impact on the development of CNT based energy storage devices as well as artificial ion channels.

Etching and structure changes in PMMA coating under argon plasma immersion ion implantation

NASA Astrophysics Data System (ADS)

Kondyurin, Alexey; Bilek, Marcela

2011-06-01

A thin (120 nm) polymethylmethacrylate coating was treated by plasma immersion ion implantation with Ar using pulsed bias at 20 kV. Ellipsometry and FTIR spectroscopy and gel-fraction formation were used to detect the structure transformations as a function of ion fluence. The kinetics of etching, variations in refractive index and extinction coefficient in 400-1000 nm of wavelength, concentration changes in carbonyl, ether, methyl and methylene groups all as a function of ion fluence were analyzed. A critical ion fluence of 10 15 ions/cm 2 was observed to be a border between competing depolymerization and carbonization processes. Chemical reactions responsible for reorganization of the PMMA chemical structure under ion beam treatment are proposed.

An empirical model for ion formation from polymer surfaces during analysis by secondary ion mass spectrometry

NASA Astrophysics Data System (ADS)

Leggett, Graham J.; Vickerman, John C.

1992-12-01

Some of the models that have been proposed to account for ion formation during sputtering are reviewed. Particular attention is paid to models describing polyatomic ion formation. Aspects of these models that are relevant to ion formation from molecular materials are discussed. Reports describing the sputtering of polymeric materials are reviewed, and the bearing of recent tandem studies on attempts to formulate a model for ion formation from polymer materials is discussed. Some of the characteristics that a suitable model would possess are identified from the experimental data.

Investigations of the Formation of Carbon Grains in Circumstellar Outflows

NASA Technical Reports Server (NTRS)

Contreras, Cesar; Salama, Farid

2013-01-01

The study of formation and destruction processes of cosmic dust is essential to understand and to quantify the budget of extraterrestrial organic molecules. Although dust with all its components plays an important role in the evolution of interstellar chemistry and in the formation of organic molecules, little is known on the formation and destruction processes of carbonaceous dust. PAHs are important chemical building blocks of interstellar dust. They are detected in interplanetary dust particles and in meteoritic samples. Additionally, observational, laboratory, and theoretical studies have shown that PAHs, in their neutral and ionized forms, are an important, ubiquitous component of the interstellar medium. Also, the formation of PAHs from smaller molecules has not been extensively studied. Therefore, it is imperative that laboratory experiments be conducted to study the dynamic processes of carbon grain formation from PAH precursors. Studies of interstellar dust analogs formed from a variety of PAH and hydrocarbon precursors as well as species that include the atoms O, N, and S, have recently been performed in our laboratory under conditions that simulate interstellar and circumstellar environments. The species formed in the pulsed discharge nozzle (PDN) plasma source are detected and characterized with a high-sensitivity cavity ringdown spectrometer (CRDS) coupled to a Reflectron time-of-flight mass spectrometer (ReTOF-MS), thus providing both spectroscopic and ion mass information in-situ. We report the first set of measurements obtained in these experiments and identify the species present in the experiments and the ions that are formed in the plasma process. From these unique measurements, we derive information on the size and the structure of interstellar dust grain particles, the growth and the destruction processes of interstellar dust and the resulting budget of extraterrestrial organic molecules.

Photochemical oxidation of chloride ion by ozone in acid aqueous solution.

PubMed

Levanov, Alexander V; Isaykina, Oksana Ya; Amirova, Nazrin K; Antipenko, Ewald E; Lunin, Valerii V

2015-11-01

The experimental investigation of chloride ion oxidation under the action of ozone and ultraviolet radiation with wavelength 254 nm in the bulk of acid aqueous solution at pH 0-2 has been performed. Processes of chloride oxidation in these conditions are the same as the chemical reactions in the system O3 - OH - Cl(-)(aq). Despite its importance in the environment and for ozone-based water treatment, this reaction system has not been previously investigated in the bulk solution. The end products are chlorate ion ClO3(-) and molecular chlorine Cl2. The ions of trivalent iron have been shown to be catalysts of Cl(-) oxidation. The dependencies of the products formation rates on the concentrations of O3 and H(+) have been studied. The chemical mechanism of Cl(-) oxidation and Cl2 emission and ClO3(-) formation has been proposed. According to the mechanism, the dominant primary process of chloride oxidation represents the complex interaction with hydroxyl radical OH with the formation of Cl2(-) anion-radical intermediate. OH radical is generated on ozone photolysis in aqueous solution. The key subsequent processes are the reactions Cl2(-) + O3 → ClO + O2 + Cl(-) and ClO + H2O2 → HOCl + HO2. Until the present time, they have not been taken into consideration on mechanistic description and modelling of Cl(-) oxidation. The final products are formed via the reactions 2ClO → Cl2O2, Cl2O2 + H2O → 2H(+) + Cl(-) + ClO3(-) and HOCl + H(+) + Cl(-) ⇄ H2O + Cl2. Some portion of chloride is oxidized directly by O3 molecule with the formation of molecular chlorine in the end.

The formation of magnetic silicide Fe3Si clusters during ion implantation

NASA Astrophysics Data System (ADS)

Balakirev, N.; Zhikharev, V.; Gumarov, G.

2014-05-01

A simple two-dimensional model of the formation of magnetic silicide Fe3Si clusters during high-dose Fe ion implantation into silicon has been proposed and the cluster growth process has been computer simulated. The model takes into account the interaction between the cluster magnetization and magnetic moments of Fe atoms random walking in the implanted layer. If the clusters are formed in the presence of the external magnetic field parallel to the implanted layer, the model predicts the elongation of the growing cluster in the field direction. It has been proposed that the cluster elongation results in the uniaxial magnetic anisotropy in the plane of the implanted layer, which is observed in iron silicide films ion-beam synthesized in the external magnetic field.

Two-Step Mechanism of Membrane Disruption by Aβ through Membrane Fragmentation and Pore Formation

PubMed Central

Sciacca, Michele F.M.; Kotler, Samuel A.; Brender, Jeffrey R.; Chen, Jennifer; Lee, Dong-kuk; Ramamoorthy, Ayyalusamy

2012-01-01

Disruption of cell membranes by Aβ is believed to be one of the key components of Aβ toxicity. However, the mechanism by which this occurs is not fully understood. Here, we demonstrate that membrane disruption by Aβ occurs by a two-step process, with the initial formation of ion-selective pores followed by nonspecific fragmentation of the lipid membrane during amyloid fiber formation. Immediately after the addition of freshly dissolved Aβ1–40, defects form on the membrane that share many of the properties of Aβ channels originally reported from single-channel electrical recording, such as cation selectivity and the ability to be blockaded by zinc. By contrast, subsequent amyloid fiber formation on the surface of the membrane fragments the membrane in a way that is not cation selective and cannot be stopped by zinc ions. Moreover, we observed that the presence of ganglioside enhances both the initial pore formation and the fiber-dependent membrane fragmentation process. Whereas pore formation by freshly dissolved Aβ1–40 is weakly observed in the absence of gangliosides, fiber-dependent membrane fragmentation can only be observed in their presence. These results provide insights into the toxicity of Aβ and may aid in the design of specific compounds to alleviate the neurodegeneration of Alzheimer’s disease. PMID:22947931

Formation of Ion Beam from High Density Plasma of ECR Discharge

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

Izotov, I.; Razin, S.; Sidorov, A.

2005-03-15

One of the most promising directions of ECR multicharged ion sources evolution is related with increase in frequency of microwave pumping. During last years microwave generators of millimeter wave range - gyrotrons have been used more frequently. Creation of plasma with density 1013 cm-3 with medium charged ions and ion flux density through a plug of a magnetic trap along magnetic field lines on level of a few A/cm2 is possible under pumping by powerful millimeter wave radiation and quasigasdynamic (collisional) regime of plasma confinement in the magnetic trap. Such plasma has great prospects for application in plasma based ionmore » implantation systems for processing of surfaces with complicated and petit relief. Use it for ion beam formation seams to be difficult because of too high ion current density. This paper continues investigations described elsewhere and shows possibility to arrange ion extraction in zone of plasma expansion from the magnetic trap along axis of system and magnetic field lines.Plasma was created at ECR gas discharge by means of millimeter wave radiation of a gyrotron with frequency 37.5 GHz, maximum power 100 kW, pulse duration 1.5 ms. Two and three electrode quasi-Pierce extraction systems were used for ion beam formation.It is demonstrated that there is no changes in ion charge state distribution along expansion routing of plasma under collisional confinement. Also ion flux density decreases with distance from plug of the trap, it allows to control extracting ion current density. Multicharged ion beam of Nitrogen with total current up to 2.5 mA at diameter of extracting hole 1 mm, that corresponds current density 320 mA/cm2, was obtained. Magnitude of total ion current was limited due to extracting voltage (60 kV). Under such conditions characteristic transversal dimension of plasma equaled 4 cm, magnetic field value in extracting zone was about 0.1 T at axisymmetrical configuration.« less

Chemistry and Chemical Equilibrium Dynamics of BMAA and Its Carbamate Adducts

PubMed Central

Diaz-parga, Pedro

2018-01-01

Beta-N-methylamino-L-alanine (BMAA) has been demonstrated to contribute to the onset of the ALS/Parkinsonism-dementia complex (ALS/PDC) and is implicated in the progression of other neurodegenerative diseases. While the role of BMAA in these diseases is still debated, one of the suggested mechanisms involves the activation of excitatory glutamate receptors. In particular, the excitatory effects of BMAA are shown to be dependent on the presence of bicarbonate ions, which in turn forms carbamate adducts in physiological conditions. The formation of carbamate adducts from BMAA and bicarbonate is similar to the formation of carbamate adducts from non-proteinogenic amino acids. Structural, chemical, and biological information related to non-proteinogenic amino acids provide insight into the formation of and possible neurological action of BMAA. This article reviews the carbamate formation of BMAA in the presence of bicarbonate ions, with a particular focus on how the chemical equilibrium of BMAA carbamate adducts may affect the molecular mechanism of its function. Highlights of nuclear magnetic resonance (NMR)-based studies on the equilibrium process between free BMAA and its adducts are presented. The role of divalent metals on the equilibrium process is also explored. The formation and the equilibrium process of carbamate adducts of BMAA may answer questions on their neuroactive potency and provide strong motivation for further investigations into other toxic mechanisms. PMID:28921378

Chemistry and Chemical Equilibrium Dynamics of BMAA and Its Carbamate Adducts.

PubMed

Diaz-Parga, Pedro; Goto, Joy J; Krishnan, V V

2018-01-01

Beta-N-methylamino-L-alanine (BMAA) has been demonstrated to contribute to the onset of the ALS/Parkinsonism-dementia complex (ALS/PDC) and is implicated in the progression of other neurodegenerative diseases. While the role of BMAA in these diseases is still debated, one of the suggested mechanisms involves the activation of excitatory glutamate receptors. In particular, the excitatory effects of BMAA are shown to be dependent on the presence of bicarbonate ions, which in turn forms carbamate adducts in physiological conditions. The formation of carbamate adducts from BMAA and bicarbonate is similar to the formation of carbamate adducts from non-proteinogenic amino acids. Structural, chemical, and biological information related to non-proteinogenic amino acids provide insight into the formation of and possible neurological action of BMAA. This article reviews the carbamate formation of BMAA in the presence of bicarbonate ions, with a particular focus on how the chemical equilibrium of BMAA carbamate adducts may affect the molecular mechanism of its function. Highlights of nuclear magnetic resonance (NMR)-based studies on the equilibrium process between free BMAA and its adducts are presented. The role of divalent metals on the equilibrium process is also explored. The formation and the equilibrium process of carbamate adducts of BMAA may answer questions on their neuroactive potency and provide strong motivation for further investigations into other toxic mechanisms.

Experimental and ab initio studies of the reactive processes in gas phase i-C{sub 3}H{sub 7}Br and i-C{sub 3}H{sub 7}OH collisions with potassium ions

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

López, E.; Lucas, J. M.; Andrés, J. de

2014-10-28

Collisions between potassium ions and neutral i-C{sub 3}H{sub 7}Br and i-C{sub 3}H{sub 7}OH, all in their electronic ground state, have been studied in the 0.10–10.00 eV center of mass (CM) collision energy range, using the radiofrequency-guided ion beam technique. In K{sup +} + i-C{sub 3}H{sub 7}Br collisions KHBr{sup +} formation was observed and quantified, while the analogous KH{sub 2}O{sup +} formation in K{sup +} + i-C{sub 3}H{sub 7}OH was hardly detected. Moreover, formation of the ion-molecule adducts and their decomposition leading to C{sub 3}H{sub 7}{sup +} and either KBr or KOH, respectively, have been observed. For all these processes, absolutemore » cross-sections were measured as a function of the CM collision energy. Ab initio structure calculations at the MP2 level have given information about the potential energy surfaces (PESs) involved. In these, different stationary points have been characterized using the reaction coordinate method, their connectivity being ensured by using the intrinsic-reaction-coordinate method. From the measured excitation function for KHBr{sup +} formation the corresponding thermal rate constant at 303 K has been calculated. The topology of the calculated PESs allows an interpretation of the main features of the reaction dynamics of both systems, and in particular evidence the important role played by the potential energy wells in controlling the reactivity for the different reaction channels.« less

Origins of saline fluids at convergent margins

NASA Astrophysics Data System (ADS)

Martin, Jonathan B.; Kastner, Miriam; Egeberg, Per Kr.

The compositions of pore and venting fluids at convergent margins differ from seawater values, reflecting mixing and diagenesis. Most significantly, the concentration of Cl-, assumed to be a conservative ion, differs from its seawater value. Chloride concentrations could be elevated by four processes, although two, the formation of gas hydrate and ion filtration by clay membranes, are insignificant in forming saline fluids at convergent margins. During the formation of gas hydrate, the resulting Cl--rich fluids, estimated to contain an average excess of ˜140 mM Cl- over seawater value, probably would be flushed from the sediment when the pore fluids vent to seawater. Ion filtration by clay membranes requires compaction pressures typical of >2 km burial depths. Even at these depths, the efficiency of ion filtration will be negligible because (1) fluids will flow through fractures, thereby bypassing clay membranes, (2) concentrations of clay minerals are diluted by other phases, and (3) during burial, smectite converts to illite, which has little capacity for ion filtration. A third process, mixing with subaerially evaporated seawater, elevates Cl- concentrations to 1043 mM in forearc basins along the Peru margin. Evaporation of seawater, however, will be important only in limited geographic regions that are characterized by enclosed basins, arid climates, and permeable sediments. At the New Hebrides and Izu-Bonin margins, Cl- concentrations are elevated to a maximum of 1241 mM. The process responsible for this increase is the alteration of volcanic ash to hydrous clay and zeolite minerals. Mass balance calculations, based on the decrease in δ18O values to -9.5‰ (SMOW), suggest that the Cl- concentrations could increase solely from the formation of smectite in a closed system. The diagenesis of volcanic ash also alters the concentrations of most dissolved species in addition to Cl-. Depending on the volume of this altered fluid, it could influence seawater chemistry when vented from the sediment.

Solvation suppression of ion recombination in gas discharge afterglow

NASA Astrophysics Data System (ADS)

Amirov, R. Kh.; Lankin, A. V.; Norman, G. E.

2018-03-01

An effect which suppresses recombination in ion plasmas is considered both theoretically and experimentally. Experimental results are presented for the ion recombination rate in fluorine plasma, which are obtained from data for the gas discharge afterglow. To interpret them, a suppression factor is considered: ion solvation in weakly ionized plasma. It is shown that the recombination process has a two-stage character with the formation of intermediate metastable ion pairs. The pairs consist of negative and positive ion-molecular clusters. A theoretical explanation is given for the slowing down of the ion recombination with the increase of the Coulomb coupling compared to the ion recombination rate calculated in the ideal plasma approximation. The approximate similarity of the recombination rate of the ion temperature and concentration and reasons for the slight deviation from the similarity are elucidated.

Technological capabilities of surface layers formation on implant made of Ti-6Al-4V ELI alloy.

PubMed

Kiel-Jamrozik, Marta; Szewczenko, Janusz; Basiaga, Marcin; Nowińska, Katarzyna

2015-01-01

The aim of the presented research was to find a combination of surface modification methods of implants made of the Ti-6Al-4V ELI alloy, that lead to formation of effective barrier for metallic ions that may infiltrate into solution. To this end, the following tests were carried out: roughness measurement, the voltamperometric tests (potentiodynamic and potentiostatic), and the ion infiltration test. The electropolishing process resulted in the lowering of surface roughness in comparison with mechanical treatment of the surface layer. The anodization process and steam sterilization increased corrosion resistance regardless of the mechanical treatment or electropolishing. The crevice corrosion tests revealed that independent of the modification method applied, the Ti-6Al-4V ELI alloy has excellent crevice corrosion resistance. The smallest quantity of ions infiltrated to the solution was observed for surface modification consisting in the mechanical treatment and anodization with the potential of 97 V. Electric parameters deter- mined during studies were the basis for effectiveness estimation of particular surface treatment methods. The research has shown that the anodization process significantly influences the pitting corrosion resistance of the Ti-6Al-4V ELI alloy independent of the previous surface treatment methods (mechanical and electrochemical). The surface layer after such modification is a protective barrier for metallic ions infiltrated to solution and protects titanium alloy against corrosive environment influence.

Ion chemistry in germane/fluorocompounds gaseous mixtures: a mass spectrometric and theoretical study.

PubMed

Antoniotti, Paola; Rabezzana, Roberto; Turco, Francesca; Borocci, Stefano; Giordani, Maria; Grandinetti, Felice

2008-10-01

The ion-molecule reactions occurring in GeH(4)/NF(3), GeH(4)/SF(6), and GeH(4)/SiF(4) gaseous mixtures have been investigated by ion trap mass spectrometry and ab initio calculations. While the NF(x)(+) (x=1-3) react with GeH(4) mainly by the exothermic charge transfer, the open-shell Ge(+) and GeH(2)(+) undergo the efficient F-atom abstraction from NF(3) and form GeF(+) and F-GeH(2)(+) as the only ionic products. The mechanisms of these two processes are quite similar and involve the formation of the fluorine-coordinated complexes Ge-F-NF(2)(+) and H(2)Ge-F-NF(2)(+), their subsequent crossing to the significantly more stable isomers FGe-NF(2)(+) and F-GeH(2)-NF(2)(+), and the eventual dissociation of these ions into GeF(+) (or F-GeH(2)(+)) and NF(2). The closed-shell GeH(+) and GeH(3)(+) are instead much less reactive towards NF(3), and the only observed process is the less efficient formation of GeF(+) from GeH(+). The theoretical investigation of this unusual H/F exchange reaction suggests the involvement of vibrationally-hot GeH(+). Passing from NF(3) to SF(6) and SiF(4), the average strength of the M-F bond increases from 70 to 79 and 142 kcal mol(-1), and in fact the only process observed by reacting GeH(n)(+) (n=0-3) with SF(6) and SiF(4) is the little efficient F-atom abstraction from SF(6) by Ge(+). Irrespective of the experimental conditions, we did not observe any ionic product of Ge-N, Ge-S, or Ge-Si connectivity. This is in line with the previously observed exclusive formation of GeF(+) from the reaction between Ge(+) and C-F compounds such as CH(3)F. Additionally observed processes include in particular the conceivable formation of the elusive thiohypofluorous acid FSH from the reaction between SF(+) and GeH(4).

Formation of the high-energy ion population in the earth's magnetotail: spacecraft observations and theoretical models

NASA Astrophysics Data System (ADS)

Artemyev, A. V.; Vasko, I. Y.; Lutsenko, V. N.; Petrukovich, A. A.

2014-10-01

We investigate the formation of the high-energy (E ∈ [20,600] keV) ion population in the earth's magnetotail. We collect statistics of 4 years of Interball / Tail observations (1995-1998) in the vicinity of the neutral plane in the magnetotail region (X <-17 RE, |Y| ≤ 20 RE in geocentric solar magnetospheric (GSM) system). We study the dependence of high-energy ion spectra on the thermal-plasma parameters (the temperature Ti and the amplitude of bulk velocity vi) and on the magnetic-field component Bz. The ion population in the energy range E ∈ [20,600] keV can be separated in the thermal core and the power-law tail with the slope (index) ~ -4.5. Fluxes of the high-energy ion population increase with the growth of Bz, vi and especially Ti, but spectrum index seems to be independent on these parameters. We have suggested that the high-energy ion population is generated by small scale transient processes, rather than by the global reconfiguration of the magnetotail. We have proposed the relatively simple and general model of ion acceleration by transient bursts of the electric field. This model describes the power-law energy spectra and predicts typical energies of accelerated ions.

Atomistic-scale simulations of defect formation in graphene under noble gas ion irradiation

DOE PAGES

Yoon, Kichul; Rahnamoun, Ali; Swett, Jacob L.; ...

2016-08-17

Despite the frequent use of noble gas ion irradiation of graphene, the atomistic-scale details, including the effects of dose, energy, and ion bombardment species on defect formation, and the associated dynamic processes involved in the irradiations and subsequent relaxation have not yet been thoroughly studied. Here, we simulated the irradiation of graphene with noble gas ions and the subsequent effects of annealing. Lattice defects, including nanopores, were generated after the annealing of the irradiated graphene, which was the result of structural relaxation that allowed the vacancy-type defects to coalesce into a larger defect. Larger nanopores were generated by irradiation withmore » a series of heavier noble gas ions, due to a larger collision cross section that led to more detrimental effects in the graphene, and by a higher ion dose that increased the chance of displacing the carbon atoms from graphene. Overall trends in the evolution of defects with respect to a dose, as well as the defect characteristics, were in good agreement with experimental results. In addition, the statistics in the defect types generated by different irradiating ions suggested that the most frequently observed defect types were Stone-Thrower-Wales (STW) defects for He + irradiation and monovacancy (MV) defects for all other ion irradiations.« less

Ion-beam nanopatterning: experimental results with chemically-assisted beam

NASA Astrophysics Data System (ADS)

Pochon, Sebastien C. R.

2018-03-01

The need for forming gratings (for example used in VR headsets) in materials such as SiO2 has seen a recent surge in the use of Ion beam etching techniques. However, when using an argon-only beam, the selectivity is limited as it is a physical process. Typically, gases such as CHF3, SF6, O2 and Cl2 can be added to argon in order to increase selectivity; depending on where the gas is injected, the process is known as Reactive Ion Beam Etching (RIBE) or Chemically Assisted Ion Beam Etching (CAIBE). The substrate holder can rotate in order to provide an axisymmetric etch rate profile. It can also be tilted over a range of angles to the beam direction. This enables control over the sidewall profile as well as radial uniformity optimisation. Ion beam directionality in conjunction with variable incident beam angle via platen angle setting enables profile control and feature shaping during nanopatterning. These hardware features unique to the Ion Beam etching methods can be used to create angled etch features. The CAIBE technique is also well suited to laser diode facet etch (for optoelectronic devices); these typically use III-V materials like InP. Here, we report on materials such as SiO2 etched without rotation and at a fixed platen angle allowing the formation of gratings and InP etched at a fixed angle with rotation allowing the formation of nanopillars and laser facets.

Gas Phase Reactions of Ions Derived from Anionic Uranyl Formate and Uranyl Acetate Complexes.

PubMed

Perez, Evan; Hanley, Cassandra; Koehler, Stephen; Pestok, Jordan; Polonsky, Nevo; Van Stipdonk, Michael

2016-12-01

The speciation and reactivity of uranium are topics of sustained interest because of their importance to the development of nuclear fuel processing methods, and a more complete understanding of the factors that govern the mobility and fate of the element in the environment. Tandem mass spectrometry can be used to examine the intrinsic reactivity (i.e., free from influence of solvent and other condensed phase effects) of a wide range of metal ion complexes in a species-specific fashion. Here, electrospray ionization, collision-induced dissociation, and gas-phase ion-molecule reactions were used to create and characterize ions derived from precursors composed of uranyl cation (U VI O 2 2+ ) coordinated by formate or acetate ligands. Anionic complexes containing U VI O 2 2+ and formate ligands fragment by decarboxylation and elimination of CH 2 =O, ultimately to produce an oxo-hydride species [U VI O 2 (O)(H)] - . Cationic species ultimately dissociate to make [U VI O 2 (OH)] + . Anionic complexes containing acetate ligands exhibit an initial loss of acetyloxyl radical, CH 3 CO 2 •, with associated reduction of uranyl to U V O 2 + . Subsequent CID steps cause elimination of CO 2 and CH 4 , ultimately to produce [U V O 2 (O)] - . Loss of CH 4 occurs by an intra-complex H + transfer process that leaves U V O 2 + coordinated by acetate and acetate enolate ligands. A subsequent dissociation step causes elimination of CH 2 =C=O to leave [U V O 2 (O)] - . Elimination of CH 4 is also observed as a result of hydrolysis caused by ion-molecule reaction with H 2 O. The reactions of other anionic species with gas-phase H 2 O create hydroxyl products, presumably through the elimination of H 2 . Graphical Abstract ᅟ.

Gas Phase Reactions of Ions Derived from Anionic Uranyl Formate and Uranyl Acetate Complexes

NASA Astrophysics Data System (ADS)

Perez, Evan; Hanley, Cassandra; Koehler, Stephen; Pestok, Jordan; Polonsky, Nevo; Van Stipdonk, Michael

2016-12-01

The speciation and reactivity of uranium are topics of sustained interest because of their importance to the development of nuclear fuel processing methods, and a more complete understanding of the factors that govern the mobility and fate of the element in the environment. Tandem mass spectrometry can be used to examine the intrinsic reactivity (i.e., free from influence of solvent and other condensed phase effects) of a wide range of metal ion complexes in a species-specific fashion. Here, electrospray ionization, collision-induced dissociation, and gas-phase ion-molecule reactions were used to create and characterize ions derived from precursors composed of uranyl cation (UVIO2 2+) coordinated by formate or acetate ligands. Anionic complexes containing UVIO2 2+ and formate ligands fragment by decarboxylation and elimination of CH2=O, ultimately to produce an oxo-hydride species [UVIO2(O)(H)]-. Cationic species ultimately dissociate to make [UVIO2(OH)]+. Anionic complexes containing acetate ligands exhibit an initial loss of acetyloxyl radical, CH3CO2•, with associated reduction of uranyl to UVO2 +. Subsequent CID steps cause elimination of CO2 and CH4, ultimately to produce [UVO2(O)]-. Loss of CH4 occurs by an intra-complex H+ transfer process that leaves UVO2 + coordinated by acetate and acetate enolate ligands. A subsequent dissociation step causes elimination of CH2=C=O to leave [UVO2(O)]-. Elimination of CH4 is also observed as a result of hydrolysis caused by ion-molecule reaction with H2O. The reactions of other anionic species with gas-phase H2O create hydroxyl products, presumably through the elimination of H2.

Self-organized surface ripple pattern formation by ion implantation

NASA Astrophysics Data System (ADS)

Hofsäss, Hans; Zhang, Kun; Bobes, Omar

2016-10-01

Ion induced ripple pattern formation on solid surfaces has been extensively studied in the past and the theories describing curvature dependent ion erosion as well as redistribution of recoil atoms have been very successful in explaining many features of the pattern formation. Since most experimental studies use noble gas ion irradiation, the incorporation of the ions into the films is usually neglected. In this work we show that the incorporation or implantation of non-volatile ions also leads to a curvature dependent term in the equation of motion of a surface height profile. The implantation of ions can be interpreted as a negative sputter yield; and therefore, the effect of ion implantation is opposite to the one of ion erosion. For angles up to about 50°, implantation of ions stabilizes the surface, whereas above 50°, ion implantation contributes to the destabilization of the surface. We present simulations of the curvature coefficients using the crater function formalism and we compare the simulation results to the experimental data on the ion induced pattern formation using non-volatile ions. We present several model cases, where the incorporation of ions is a crucial requirement for the pattern formation.

EUV emission spectra in collisions of highly charged tantalum ions with nitrogen and oxygen molecules

NASA Astrophysics Data System (ADS)

Tanuma, Hajime; Numadate, Naoki; Uchikura, Yoshiyuki; Shimada, Kento; Akutsu, Takuto; Long, Elaine; O'Sullivan, Gerry

2017-10-01

We have performed ion beam collision experiments using multiply charged tantalum ions and observed EUV (extreme ultra-violet) emission spectra in collisions of ions with molecular targets, N2 and O2. Broad UTAs (un-resolved transition arrays) from multiply charged Ta ions were observed, and the mean wavelengths of the UTAs shifted and became shorter at higher charge statea of Ta ions. These UTAs may be attributed to the 4f-5d and 4f-5g transitions. Not only the UTA emission from incident ions, but also the sharp emission lines from multiply charged fragment atomic ions were observed. Production of temporary highly charged molecular ions, their kinetic energy and fragmentation processes have been investigated with coincident detection technique. However, the observation of emission from the fragments might be for the first time. The formation mechanisms of the multiply charged fragment atomic ions from target molecules are discussed.

Investigations on caesium-free alternatives for H{sup −} formation at ion source relevant parameters

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

Kurutz, U.; Fantz, U.; AG Experimentelle Plasmaphysik, Institut für Physik, Universität Augsburg, 86135 Augsburg

2015-04-08

Negative hydrogen ions are efficiently produced in ion sources by the application of caesium. Due to a thereby induced lowering of the work function of a converter surface a direct conversion of impinging hydrogen atoms and positive ions into negative ions is maintained. However, due to the complex caesium chemistry and dynamics a long-term behaviour is inherent for the application of caesium that affects the stability and reliability of negative ion sources. To overcome these drawbacks caesium-free alternatives for efficient negative ion formation are investigated at the flexible laboratory setup HOMER (HOMogenous Electron cyclotron Resonance plasma). By the usage ofmore » a meshed grid the tandem principle is applied allowing for investigations on material induced negative ion formation under plasma parameters relevant for ion source operation. The effect of different sample materials on the ratio of the negative ion density to the electron density n{sub H{sup −}} /n{sub e} is compared to the effect of a stainless steel reference sample and investigated by means of laser photodetachment in a pressure range from 0.3 to 3 Pa. For the stainless steel sample no surface induced effect on the negative ion density is present and the measured negative ion densities are resulting from pure volume formation and destruction processes. In a first step the dependency of n{sub H{sup −}} /n{sub e} on the sample distance has been investigated for a caesiated stainless steel sample. At a distance of 0.5 cm at 0.3 Pa the density ratio is 3 times enhanced compared to the reference sample confirming the surface production of negative ions. In contrast for the caesium-free material samples, tantalum and tungsten, the same dependency on pressure and distance n{sub H{sup −}} /n{sub e} like for the stainless steel reference sample were obtained within the error margins: A density ratio of around 14.5% is measured at 4.5 cm sample distance and 0.3 Pa, linearly decreasing with decreasing distance to 7% at 1.5 cm. Thus, tantalum and tungsten do not significantly affect the negative ion density. First measurements conducted with LaB{sub 6} as well as with two types of diamond like carbon (DLC) n{sub H{sup −}} /n{sub e} of about 15% at 1 Pa were measured, which is comparable to the density ratio obtained for the stainless steel reference sample. At HOMER a surface induced enhancement of n{sub H{sup −}} is only observed when it exceeds the volume formation of H{sup −} which is also realistic for negative hydrogen ion sources.« less

Formation of H{sub 2} from internally heated polycyclic aromatic hydrocarbons: Excitation energy dependence

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

Chen, T., E-mail: tao.chen@fysik.su.se, E-mail: henning@fysik.su.se; Gatchell, M.; Stockett, M. H.

2015-04-14

We have investigated the effectiveness of molecular hydrogen (H{sub 2}) formation from Polycyclic Aromatic Hydrocarbons (PAHs) which are internally heated by collisions with keV ions. The present and earlier experimental results are analyzed in view of molecular structure calculations and a simple collision model. We estimate that H{sub 2} formation becomes important for internal PAH temperatures exceeding about 2200 K, regardless of the PAH size and the excitation agent. This suggests that keV ions may effectively induce such reactions, while they are unlikely due to, e.g., absorption of single photons with energies below the Lyman limit. The present analysis alsomore » suggests that H{sub 2} emission is correlated with multi-fragmentation processes, which means that the [PAH-2H]{sup +} peak intensities in the mass spectra may not be used for estimating H{sub 2}-formation rates.« less

Silver nanoparticle formation by femtosecond laser induced reduction of ammonia-containing AgNO3 solution

NASA Astrophysics Data System (ADS)

Herbani, Y.; Nakamura, T.; Sato, S.

2017-04-01

This paper reports the synthesis of silver colloids by femtosecond laser ablation of ammonia-containing AgNO3 solution. Effect of ammonia concentration in solution on the production of Ag nanoparticles was discussed. It is found that ammonia rules out significantly to the formation of Ag nanoparticles at which no Ag nanoparticle were formed in the solution without ammonia. Using the solution with the optimum ratio of ammonia to Ag+ ions, we further investigate the growth process of Ag nanoparticle by monitoring the evolution of its absorption spectra at 402 nm as a function of irradiation time. The result showed that the growth process was fit to the simple exponential function, and confirmed that the addition of ammonia alone to the metal ion system can boost the particle production by femtosecond laser.

Ion/Neutral, Ion/Electron, Ion/Photon, and Ion/Ion Interactions in Tandem Mass Spectrometry: Do we need them all? Are they enough?

PubMed Central

McLuckey, Scott A.; Mentinova, Marija

2011-01-01

A range of strategies and tools has been developed to facilitate the determination of primary structures of analyte molecules of interest via tandem mass spectrometry (MS/MS). The two main factors that determine the primary structural information present in an MS/MS spectrum are the type of ion generated from the analyte molecule and the dissociation method. The ion-type subjected to dissociation is determined by the ionization method/conditions and ion transformation processes that might take place after initial gas-phase ion formation. Furthermore, the range of analyte-related ion types can be expanded via derivatization reactions prior to mass spectrometry. Dissociation methods include those that simply alter the population of internal states of the mass-selected ion (i.e., activation methods like collision-induced dissociation) as well as processes that rely on transformation of the ion-type prior to dissociation (e.g., electron capture dissociation). A variety of ionic interactions has been studied for the purpose of ion dissociation and ion transformation that include ion/neutral, ion/photon, ion/electron, and ion/ion interactions. A wide range of phenomena has been observed, many of which have been explored/developed as means for structural analysis. The techniques arising from these phenomena are discussed within the context of the elements of structure determination in tandem mass spectrometry, viz., ion-type definition and dissociation. Unique aspects of the various ion interactions are emphasized along with any barriers to widespread implementation. PMID:21472539

Group Additivity Determination for Oxygenates, Oxonium Ions, and Oxygen-Containing Carbenium Ions

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

Dellon, Lauren D.; Sung, Chun-Yi; Robichaud, David J.

Bio-oil produced from biomass fast pyrolysis often requires catalytic upgrading to remove oxygen and acidic species over zeolite catalysts. The elementary reactions in the mechanism for this process involve carbenium and oxonium ions. In order to develop a detailed kinetic model for the catalytic upgrading of biomass, rate constants are required for these elementary reactions. The parameters in the Arrhenius equation can be related to thermodynamic properties through structure-reactivity relationships, such as the Evans-Polanyi relationship. For this relationship, enthalpies of formation of each species are required, which can be reasonably estimated using group additivity. However, the literature previously lacked groupmore » additivity values for oxygenates, oxonium ions, and oxygen-containing carbenium ions. In this work, 71 group additivity values for these types of groups were regressed, 65 of which had not been reported previously and six of which were newly estimated based on regression in the context of the 65 new groups. Heats of formation based on atomization enthalpy calculations for a set of reference molecules and isodesmic reactions for a small set of larger species for which experimental data was available were used to demonstrate the accuracy of the Gaussian-4 quantum mechanical method in estimating enthalpies of formation for species involving the moieties of interest. Isodesmic reactions for a total of 195 species were constructed from the reference molecules to calculate enthalpies of formation that were used to regress the group additivity values. The results showed an average deviation of 1.95 kcal/mol between the values calculated from Gaussian-4 and isodesmic reactions versus those calculated from the group additivity values that were newly regressed. Importantly, the new groups enhance the database for group additivity values, especially those involving oxonium ions.« less

The lyocell process: Cellulose solutions in N-Methylmorpholine-N-oxide (NMMO) - degradation processes and stabilizers

Treesearch

Thomas Rosenau; Thomas Elder; Antje Potthast; Sixta Herbert; Paul Kosma

2003-01-01

Homolytic (radical) reactions in the system cellulose / N-methylmorpholine-N-oxide (NMMO, 1) involve a primary, nitrogen-centered cation radical (2), and two secondary, carbon-centered radical species (3, 4). Radical formation &om NMMO is strongly promoted by transition metal ions.

Fragmentation of D- and L-enantiomers of amino acids through interaction with 3He2+ ions

NASA Astrophysics Data System (ADS)

Smirnov, O. V.; Basalaev, A. A.; Boitsov, V. M.; Vyaz'min, S. Yu.; Orbeli, A. L.; Dubina, M. V.

2014-11-01

The relative cross section of processes attendant on the capture of an electron by 12-keV 3He2+ ions are measured by time-of-flight mass spectrometry for leucine (C6H13NO2), methionine (C5H11NO2S), and glutmic acid (C5H9NO4) molecules. No differences between the formation relative cross sections of different fragment ions for the D- and L-enantiomeric forms of the amino acids are revealed. The spectrum of glutamic acid fragments taken at temperatures above 110°C is explained by decomposition of the acid with the formation of pyroglutamic acid (C5H7NO3) and water. The results are compared with published data on fragmentation of the same molecules via electron-impact ionization.

Interaction of a finite-length ion beam with a background plasma - Reflected ions at the quasi-parallel bow shock

NASA Technical Reports Server (NTRS)

Onsager, T. G.; Winske, D.; Thomsen, M. F.

1991-01-01

The coupling of a finite-length, field-aligned, ion beam with a uniform background plasma is investigated using one-dimensional hybrid computer simulations. The finite-length beam is used to study the interaction between the incident solar wind and ions reflected from the earth's quasi-parallel bow shock, where the reflection process may vary with time. The coupling between the reflected ions and the solar wind is relevant to ion heating at the bow shock and possibly to the formation of hot, flow anomalies and re-formation of the shock itself. Consistent with linear theory, the waves which dominate the interaction are the electromagnetic right-hand polarized resonant and nonresonant modes. However, in addition to the instability growth rates, the length of time that the waves are in contact with the beam is also an important factor in determining which wave mode will dominate the interaction. It is found that interaction will result in strong coupling, where a significant fraction of the available free energy is converted into thermal energy in a short time, provided the beam is sufficiently dense or sufficiently long.

Thiol surface complexation on growing CdS clusters

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

Swayambunathan, V.; Hayes, D.; Schmidt, K.H.

1990-05-09

The growth of small CdS colloidal particles has been initiated by pulse radiolytic release of sulfide from thiol (3-mercapto-1,2-propanediol, RSH) in the presence of Cd{sup 2+} ions. The kinetics and stoichiometry of the ensuring reactions were followed by conductivity, absorption spectroscopy, and light-scattering techniques. The final CdS product has been identified by electron diffraction. The formation of Cd-thiolate complexes at the surface of the particles is indicated by conductivity and by energy dispersive analysis of X-ray (EDAX) results. The rate of formation of CdS clusters is strongly pH dependent due to the pH effect on the stability of Dd{sup 2+}/HS{supmore » {minus}} complexes. At low pHs (4.0-5.3) the growth mechanism is proposed to be primarily a cluster-molecule process. At this pH range Cd{sup 2+} ions at the CdS particle surface complex with thiolate ions stronger than in the bulk of the solution. The size control of the particles by thiols is proposed to result from a competition of thiolate ions with HS{sup {minus}} ions for cadmium ions at the surface of the growing particles.« less

Dissociation of dicyclohexyl phthalate molecule induced by low-energy electron impact

NASA Astrophysics Data System (ADS)

Lacko, Michal; Papp, Peter; Matejčík, Štefan

2018-06-01

Experimental investigation of electron ionization (EI) of and electron attachment (EA) onto dicyclohexyl phthalate (DCHP) was carried out using a crossed electron and molecular beam technique. Formation of positive and negative ions by EI and EA with the corresponding dissociation processes was studied and discussed. Due to a low ion yield of the parent positive ion, we were not able to estimate the ionization energy of DCHP. However, we estimated the appearance energies for the protonated phthalate anhydride (m/z 149) to be 10.5 eV and other significant ionic fragments of m/z 249 [DCHP—(R—2H)]+, m/z 167 [DCHP—(2R—3H)]+, and m/z 83 [C6H11]+. The reaction mechanisms of the dissociative ionization process were discussed. In the case of negative ions, we estimated the relative cross sections for a transient negative ion (TNI) and for several detected ions. At low electron energies (close to 0 eV), the TNI of DCHP molecules was the dominant ion, with products of dissociative EA dominating in broad resonances at 7.5 and 8.5 eV.

Space Plasma Ion Processing of the Lunar Soil: Modeling of Radiation-Damaged Rim Widths on Lunar Grains

NASA Technical Reports Server (NTRS)

Chamberlin, S.; Christoffersen, R.; Keller, L.

2007-01-01

Chemically and microstructurally complex altered rims around grains in the finest size fraction (<20 micron) of the lunar regolith are the result of multi-stage processes involving both solar ion radiation damage and nanoscale deposition of impact or sputter-derived vapors. The formation of the rims is an important part of the space weathering process, and is closely linked to key changes in optical reflectance and other bulk properties of the lunar surface. Recent application of field-emission scanning transmission electron microscope techniques, including energy dispersive X-ray spectral imaging, is making it easier to unravel the "nano-stratigraphy" of grain rims, and to delineate the portions of rims that represent Radiation-Amorphized (RA) host grain from overlying amorphous material that represents vapor/sputter deposits. For the portion of rims formed by host grain amorphization (henceforth called RA rims), we have been investigating the feasibility of using Monte Carlo-type ion-atom collision models, combined with experimental ion irradiation data, to derive predictive numerical models linking the width of RA rims to the grain s integrated solar ion radiation exposure time.

Particle Energization via Tearing Instability with Global Self-Organization Constraints

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

Sarff, John; Guo, Fan

The presentation reviews how tearing magnetic reconnection leads to powerful ion energization in reversed field pinch (RFP) plasmas. A mature MHD model for tearing instability has been developed that captures key nonlinear dynamics from the global to intermediate spatial scales. A turbulent cascade is also present that extends to at least the ion gyroradius scale, within which important particle energization mechanisms are anticipated. In summary, Ion heating and acceleration associated with magnetic reconnection from tearing instability is a powerful process in the RFP laboratory plasma (gyro-resonant and stochastic processes are likely candidates to support the observed rapid heating and othermore » features, reconnection-driven electron heating appears weaker or even absent, energetic tail formation for ions and electrons). Global self-organization strongly impacts particle energization (tearing interactions that span to core to edge, global magnetic flux change produces a larger electric field and runaway, correlations in electric and magnetic field fluctuations needed for dynamo feedback, impact of transport processes (which can be quite different for ions and electrons), inhomogeneity on the system scale, e.g., strong edge gradients).« less

Identifying precursors and aqueous organic aerosol formation pathways during the SOAS campaign

NASA Astrophysics Data System (ADS)

Sareen, Neha; Carlton, Annmarie G.; Surratt, Jason D.; Gold, Avram; Lee, Ben; Lopez-Hilfiker, Felipe D.; Mohr, Claudia; Thornton, Joel A.; Zhang, Zhenfa; Lim, Yong B.; Turpin, Barbara J.

2016-11-01

Aqueous multiphase chemistry in the atmosphere can lead to rapid transformation of organic compounds, forming highly oxidized, low-volatility organic aerosol and, in some cases, light-absorbing (brown) carbon. Because liquid water is globally abundant, this chemistry could substantially impact climate, air quality, and health. Gas-phase precursors released from biogenic and anthropogenic sources are oxidized and fragmented, forming water-soluble gases that can undergo reactions in the aqueous phase (in clouds, fogs, and wet aerosols), leading to the formation of secondary organic aerosol (SOAAQ). Recent studies have highlighted the role of certain precursors like glyoxal, methylglyoxal, glycolaldehyde, acetic acid, acetone, and epoxides in the formation of SOAAQ. The goal of this work is to identify additional precursors and products that may be atmospherically important. In this study, ambient mixtures of water-soluble gases were scrubbed from the atmosphere into water at Brent, Alabama, during the 2013 Southern Oxidant and Aerosol Study (SOAS). Hydroxyl (OH⚫) radical oxidation experiments were conducted with the aqueous mixtures collected from SOAS to better understand the formation of SOA through gas-phase followed by aqueous-phase chemistry. Total aqueous-phase organic carbon concentrations for these mixtures ranged from 92 to 179 µM-C, relevant for cloud and fog waters. Aqueous OH-reactive compounds were primarily observed as odd ions in the positive ion mode by electrospray ionization mass spectrometry (ESI-MS). Ultra high-resolution Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) spectra and tandem MS (MS-MS) fragmentation of these ions were consistent with the presence of carbonyls and tetrols. Products were observed in the negative ion mode and included pyruvate and oxalate, which were confirmed by ion chromatography. Pyruvate and oxalate have been found in the particle phase in many locations (as salts and complexes). Thus, formation of pyruvate/oxalate suggests the potential for aqueous processing of these ambient mixtures to form SOAAQ.

Development of nano-fabrication technique utilizing self-organizational behavior of point defects induced by ion irradiation

NASA Astrophysics Data System (ADS)

Nitta, Noriko; Taniwaki, Masafumi

2006-04-01

The present authors proposed a novel nano-fabrication technique that is able to arrange the fine cells orderly, based on their finding in GaSb implanted at a low temperature. In this article, first the experimental results that anomalous cellular structure was formed in GaSb by ion implantation is introduced and the self-organizational formation mechanism of the structure is described. Next a nano-fabrication technique that utilizes focused ion beam is described. This technique consists of two procedures, i.e. the formation process of the voids array and the development of the initial array to ordered cellular structure. Finally, the nano-fabrication is actually performed by this technique and their results are reported. Fabrication succeeded in structures where the dot (cell) interval was 100 nm or larger. The minimum ion dose for initial voids which develops to the ordered cellular structure is evaluated. It is also shown that the substrate temperature during implantation is an essential parameter for this technique.

Rapid and precise scanning helium ion microscope milling of solid-state nanopores for biomolecule detection.

PubMed

Yang, Jijin; Ferranti, David C; Stern, Lewis A; Sanford, Colin A; Huang, Jason; Ren, Zheng; Qin, Lu-Chang; Hall, Adam R

2011-07-15

We report the formation of solid-state nanopores using a scanning helium ion microscope. The fabrication process offers the advantage of high sample throughput along with fine control over nanopore dimensions, producing single pores with diameters below 4 nm. Electronic noise associated with ion transport through the resultant pores is found to be comparable with levels measured on devices made with the established technique of transmission electron microscope milling. We demonstrate the utility of our nanopores for biomolecular analysis by measuring the passage of double-strand DNA.

Observation of different core water cluster ions Y-(H2O)n (Y = O2, HCN, HOx, NOx, COx) and magic number in atmospheric pressure negative corona discharge mass spectrometry

NASA Astrophysics Data System (ADS)

Sekimoto, K.; Takayama, M.

2010-12-01

Atmospheric ion water clusters have been of long-standing interest in the field of atmospheric sciences, because of them playing a central role in the formation of tropospheric aerosols which affect the photochemistry, radiation budget of the atmosphere and climate. On the basis of a mechanism of aerosol formation in the troposphere proposed by Yu and Turco, termed “ion-mediated nucleation” (Geophys. Res. Lett. 2000, 27, 883), atmospheric ion water clusters are most likely to be produced via two processes; 1) direct attachment of polar solvent molecules H2O to atmospheric ions due to them having strong binding energy via ion-dipole interactions, and 2) growth of ion-induced hydrates into larger water clusters bound via hydrogen-bonding networks by condensation with H2O molecules. The stability and growth rates of water clusters are strongly dependent on the thermochemical properties of individual atmospheric core ions. A large number of thermochemical information of the positive atmospheric ion H3O+ and its hydrates H3O+(H2O)n have been reported so far, while there has been little information of the water clusters with the negative atmospheric core ions. Therefore, fundamental studies of the thermochemistry of various negative atmospheric ion water clusters will contribute towards furthering an understanding of their unique role in atmospheric sciences and climate change. We have recently established an atmospheric pressure DC corona discharge device containing a specific corona needle electrode that made it possible to reproducibly generate negative core ions Y- originating from ambient air (Int. J. Mass Spectrom. 2007, 261, 38; Eur. Phys. J. D 2008, 50, 297). The change in electric field strength on the needle tip resulted in the formation of negative atmospheric core ions Y- with various different lifetimes in air. The low field strength brought about the dominant formation of core ions with short lifetimes in air such as O2- and HOx-, while the longer-lived core ions HCN-, NOx- and COx- were mainly produced at higher field strength. Furthermore, the use of the discharge system coupled to mass spectrometers led to the stable formation of large water clusters Y-(H2O)n due to adiabatic expansion caused by the pressure difference between the ambient discharge area (760 torr) and vacuum region in the mass spectrometers (≈ 1 torr). Here we show the resulting mass spectra of large water clusters Y-(H2O)n (0 ≤ n ≥ 80) with the dominant negative core ion Y- such as O2-, HO-, HO2-, HCN-, NO2-, NO3-, NO3-(HNO3)2, CO3- and HCO4- which play a central role in tropospheric ion chemistry, as well as the detailed mechanism of formation of those negative ion water clusters by atmospheric pressure DC corona discharge mass spectrometry. Here we also provide new thermochemical information about magic numbers and first hydrated shells for individual negative core ions Y-, which have particular stability in the Y-(H2O)n cluster series, by using the reliable mass spectrometry data obtained and the relationship between the temperature condition in a reaction chamber and the resulting cluster distribution.

Earthquake clouds and physical mechanism of their formation.

NASA Astrophysics Data System (ADS)

Doda, L.; Pulinets, S.

2006-12-01

The Lithosphere-Atmosphere-Ionosphere (LAI) coupling model created recently permitted to explain some unknown phenomena observed around the time of strong earthquakes. One of them is formation of special shape clouds, usually presented as the thin linear structures. It was discovered that these clouds are associated with the active tectonic faults or with the tectonic plate borders. They repeat the fault shape but usually are turned in relation to the fault position. Their formation is explained by the anomalous vertical electric field generated in the vicinity of active tectonic structure due to air ionization produced by the radon increased emanation. The new formed ions through the hydration process do not recombine and growth with time due to increased water molecules attachment to the ion. Simultaneously they move up driven by the anomalous electric field and drift in the crossed ExB fields. At the higher altitudes the large ion clusters become the centers of condensation and the cloud formation. Examples for the recent major earthquakes (Sumatra 2004, Kashmir 2005, Java 2006) are presented. The size and the angle of the cloud rotation in relation to the fault position permit to estimate the magnitude of the impending earthquake.

Assembly of Multi-Phthalocyanines on a Porphyrin Template by Fourfold Rotaxane Formation.

PubMed

Yamada, Yasuyuki; Kato, Tatsuhisa; Tanaka, Kentaro

2016-08-22

A stacked assembly composed of a porphyrin and two phthalocyanines was prepared through fourfold rotaxane formation. Two phthalocyanine molecules, bearing four 24-crown-8 units, were assembled onto a porphyrin template incorporating four sidechains with two dialkylammonium ions each through pseudorotaxane formation between crown ether units and ammonium ions. The Staudinger phosphite reaction, as the stoppering reaction, resulted in the formation of the stacked heterotrimer composed of a porphyrin and two phthalocyanines connected through a fourfold rotaxane structure. UV/Vis spectroscopic and electrochemical studies of the heterotrimer indicated that there is a significant electronic interaction between the two phthalocyanine units due to the close stacking. The electrochemical oxidation process of the stacked heterotrimer was studied by cyclic voltammetry and spectroelectrochemistry. Electron paramagnetic resonance (EPR) spectroscopy of a dinuclear Cu(II) complex, in which two Cu(II) phthalocyanines were assembled on a metal-free porphyrin template, revealed that two Cu(II) phthalocyanines were located within the stacking distance, which resulted in an antiferromagnetic interaction between the two S=1/2 spins in the ground state of the Cu(2+) ions in the heterotrimer. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Tandem Mass Spectrometry and Ion Mobility Reveals Structural Insight into Eicosanoid Product Ion Formation

NASA Astrophysics Data System (ADS)

Di Giovanni, James P.; Barkley, Robert M.; Jones, David N. M.; Hankin, Joseph A.; Murphy, Robert C.

2018-04-01

Ion mobility measurements of product ions were used to characterize the collisional cross section (CCS) of various complex lipid [M-H]- ions using traveling wave ion mobility mass spectrometry (TWIMS). TWIMS analysis of various product ions derived after collisional activation of mono- and dihydroxy arachidonate metabolites was found to be more complex than the analysis of intact molecular ions and provided some insight into molecular mechanisms involved in product ion formation. The CCS observed for the molecular ion [M-H]- and certain product ions were consistent with a folded ion structure, the latter predicted by the proposed mechanisms of product ion formation. Unexpectedly, product ions from [M-H-H2O-CO2]- and [M-H-H2O]- displayed complex ion mobility profiles suggesting multiple mechanisms of ion formation. The [M-H-H2O]- ion from LTB4 was studied in more detail using both nitrogen and helium as the drift gas in the ion mobility cell. One population of [M-H-H2O]- product ions from LTB4 was consistent with formation of covalent ring structures, while the ions displaying a higher CCS were consistent with a more open-chain structure. Using molecular dynamics and theoretical CCS calculations, energy minimized structures of those product ions with the open-chain structures were found to have a higher CCS than a folded molecular ion structure. The measurement of product ion mobility can be an additional and unique signature of eicosanoids measured by LC-MS/MS techniques. [Figure not available: see fulltext.

Tandem Mass Spectrometry and Ion Mobility Reveals Structural Insight into Eicosanoid Product Ion Formation.

PubMed

Di Giovanni, James P; Barkley, Robert M; Jones, David N M; Hankin, Joseph A; Murphy, Robert C

2018-04-23

Ion mobility measurements of product ions were used to characterize the collisional cross section (CCS) of various complex lipid [M-H] - ions using traveling wave ion mobility mass spectrometry (TWIMS). TWIMS analysis of various product ions derived after collisional activation of mono- and dihydroxy arachidonate metabolites was found to be more complex than the analysis of intact molecular ions and provided some insight into molecular mechanisms involved in product ion formation. The CCS observed for the molecular ion [M-H] - and certain product ions were consistent with a folded ion structure, the latter predicted by the proposed mechanisms of product ion formation. Unexpectedly, product ions from [M-H-H 2 O-CO 2 ] - and [M-H-H 2 O] - displayed complex ion mobility profiles suggesting multiple mechanisms of ion formation. The [M-H-H 2 O] - ion from LTB 4 was studied in more detail using both nitrogen and helium as the drift gas in the ion mobility cell. One population of [M-H-H 2 O] - product ions from LTB 4 was consistent with formation of covalent ring structures, while the ions displaying a higher CCS were consistent with a more open-chain structure. Using molecular dynamics and theoretical CCS calculations, energy minimized structures of those product ions with the open-chain structures were found to have a higher CCS than a folded molecular ion structure. The measurement of product ion mobility can be an additional and unique signature of eicosanoids measured by LC-MS/MS techniques. Graphical Abstract ᅟ.

Radical molecule and ion-molecule mechanisms in the polymerization of hydrocarbons and chlorosilanes in R.F. plasmas at low pressures (below 1.0 Torr)

NASA Technical Reports Server (NTRS)

Avni, R.; Carmi, U.; Inspektor, A.; Rosenthal, I.

1984-01-01

The ion-molecule and the radical-molecule mechanisms are responsible for the dissociation of hydrocarbons, and chlorosilane monomers and the formation of polymerized species, respectively, in the plasma state of a RF discharge. In the plasma, of a mixture of monomer with Ar, the rate determining step for both dissociation and polymerization is governed by an ion-molecular type interaction. Additions of H2 or NH3 to the monomer Ar(+) mixture transforms the rate determining step from an ion-molecular interaction to a radical-molecule type interaction for both monomer dissociation and polymerization processes.

Radical and ion molecule mechanisms in the polymerization of hydrocarbons and chlorosilanes in RF plasmas at low pressures ( 1.0 torr)

NASA Technical Reports Server (NTRS)

Avni, R.; Carmi, U.; Inspektor, A.; Rosenthal, I.

1984-01-01

The ion-molecule and the radical-molecule mechanisms are responsible for the dissociation of hydrocarbons, and chlorosilane monomers and the formation of polymerized species, respectively, in the plasma state of a RF discharge. In the plasma, of a mixture of monomer with Ar, the rate determining step for both dissociation and polymerization is governed by an ion-molecular type interaction. Additions of H2 or NH3 to the monomer Ar(+) mixture transforms the rate determining step from an ion-molecular interaction to a radical-molecule type interaction for both monomer dissociation and polymerization processes.

Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering

NASA Astrophysics Data System (ADS)

Martinek, Tomas; Duboué-Dijon, Elise; Timr, Štěpán; Mason, Philip E.; Baxová, Katarina; Fischer, Henry E.; Schmidt, Burkhard; Pluhařová, Eva; Jungwirth, Pavel

2018-06-01

We present a combination of force field and ab initio molecular dynamics simulations together with neutron scattering experiments with isotopic substitution that aim at characterizing ion hydration and pairing in aqueous calcium chloride and formate/acetate solutions. Benchmarking against neutron scattering data on concentrated solutions together with ion pairing free energy profiles from ab initio molecular dynamics allows us to develop an accurate calcium force field which accounts in a mean-field way for electronic polarization effects via charge rescaling. This refined calcium parameterization is directly usable for standard molecular dynamics simulations of processes involving this key biological signaling ion.

Temperature field of dielectric films under continuous ion-beam irradiation

NASA Astrophysics Data System (ADS)

Salikhov, T. Kh.; Abdurahmonov, A. A.

2017-11-01

In the present study, we theoretically examine the formation process of the steady-state temperature field in dielectrics under irradiation with a continuous ion beam in air with allowance for the temperature dependence of thermophysical quantities. Analytical expressions for the temperature field were obtained. An interconnected system of nonlinear algebraic equations for the steady-state temperatures at the front (irradiated) and rear surfaces of the sample, and the steady-state temperature at the interface between the ion-damaged and non-damaged region was obtained; by numerical solution of this system, a nonlinear dependence of the mentioned temperatures on the characteristics of incident ion flux was revealed.

On the Heating of Ions in Noncylindrical Z-Pinches

NASA Astrophysics Data System (ADS)

Svirsky, E. B.

2018-01-01

The method proposed here for analyzing processes in a hot plasma of noncylindrical Z-pinches is based on separation of the group of high-energy ions into a special fraction. Such ions constitute an insignificant fraction ( 10%) of the total volume of the Z-pinch plasma, but these ions contribute the most to the formation of conditions in which the pinch becomes a source of nuclear fusion products and X-ray radiation. The method allows a quite correct approach to obtaining quantitative estimates of the plasma parameters, the nuclear fusion energy yield, and the features of neutron fluxes in experiments with Z-pinches.

Resonance-mode electrochemical impedance measurements of silicon dioxide supported lipid bilayer formation and ion channel mediated charge transport.

PubMed

Lundgren, Anders; Hedlund, Julia; Andersson, Olof; Brändén, Magnus; Kunze, Angelika; Elwing, Hans; Höök, Fredrik

2011-10-15

A single-chip electrochemical method based on impedance measurements in resonance mode has been employed to study lipid monolayer and bilayer formation on hydrophobic alkanethiolate and SiO(2) substrates, respectively. The processes were monitored by temporally resolving changes in interfacial capacitance and resistance, revealing information about the rate of formation, coverage, and defect density (quality) of the layers at saturation. The resonance-based impedance measurements were shown to reveal significant differences in the layer formation process of bilayers made from (i) positively charged lipid 1-palmitoyl-2-oleoyl-sn-glycero-3-ethylphosphocholine (POEPC), (ii) neutral lipid 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) on SiO(2), and (iii) monolayers made from POEPC on hydrophobic alkanethiolate substrates. The observed responses were represented with an equivalent circuit, suggesting that the differences primarily originate from the presence of a conductive aqueous layer between the lipid bilayers and the SiO(2). In addition, by adding the ion channel gramicidin D to bilayers supported on SiO(2), channel-mediated charge transport could be measured with high sensitivity (resolution around 1 pA). © 2011 American Chemical Society

Complementary experimental-simulational study of surfactant micellar phase in the extraction process of metallic ions: Effects of temperature and salt concentration

NASA Astrophysics Data System (ADS)

Soto-Ángeles, Alan Gustavo; Rodríguez-Hidalgo, María del Rosario; Soto-Figueroa, César; Vicente, Luis

2018-02-01

The thermoresponsive micellar phase behaviour that exhibits the Triton-X-100 micelles by temperature effect and addition of salt in the extraction process of metallic ions was explored from mesoscopic and experimental points. In the theoretical study, we analyse the formation of Triton-X-100 micelles, load and stabilization of dithizone molecules and metallic ions extraction inside the micellar core at room temperature; finally, a thermal analysis is presented. In the experimental study, the spectrophotometric outcomes confirm the solubility of the copper-dithizone complex in the micellar core, as well as the extraction of metallic ions of aqueous environment via a cloud-point at 332.2 K. The micellar solutions with salt present a low absorbance value compared with the micellar solutions without salt. The decrease in the absorbance value is attributed to a change in the size of hydrophobic region of colloidal micelles. All transitory stages of extraction process are discussed and analysed in this document.

Dissecting anode swelling in commercial lithium-ion batteries

NASA Astrophysics Data System (ADS)

Zhang, Ningxin; Tang, Huaqiong

2012-11-01

An innovative method is applied to investigate anode swelling during electrochemical processes in commercial lithium-ion batteries. Cathode surface is partially covered with a piece of paste to block the transportation of lithium ion from active material during charging/discharging, and the corresponding part on the anode film shows no formation of Li-graphite compounds during different electrochemical processes, which is confirmed by XRD analysis. The increases of anode thickness within and outside lithiated zone are measured, and defined as electrochemical swelling and physical swelling respectively. The microscopic lattice expansion of graphite due to lithiation process correlates to mesoscopic electrochemical swelling synchronically, while physical swelling tends to decrease steadily with time. The relationship among the microscopic stress due to lithium-ion intercalation, the mesoscopic stress resulting in anode swelling, and the macroscopic rippling of pouch cell after a large number of cycle test, is analyzed and correlated in terms of stress evolution across different scales, and suggestions for solving anode swelling are provided.

Atomistic Conversion Reaction Mechanism of WO 3 in Secondary Ion Batteries of Li, Na, and Ca

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

He, Yang; Gu, Meng; Xiao, Haiyan

2016-04-13

Reversible insertion and extraction of ionic species into a host lattice governs the basic operating principle for both rechargeable battery (such as lithium batteries) and electrochromic devices (such as ANA Boeing 787-8 Dreamliner electrochromic window). Intercalation and/or conversion are two fundamental chemical processes for some materials in response to the ion insertion. The interplay between these two chemical processes has never been established. It is speculated that the conversion reaction is initiated by ion intercalation. However, experimental evidence of intercalation and subsequent conversion remains unexplored. Here, using in situ HRTEM and spectroscopy, we captured the atomistic conversion reaction processes duringmore » lithium, sodium and calcium ion insertion into tungsten trioxide (WO3) single crystal model electrodes. An intercalation step right prior to conversion is explicitly revealed at atomic scale for the first time for these three ion species. Combining nanoscale diffraction and ab initio molecular dynamics simulations, it is found that, beyond intercalation, the inserted ion-oxygen bonding formation destabilized the transition-metal framework which gradually shrunk, distorted and finally collapsed to a pseudo-amorphous structure. This study provides a full atomistic picture on the transition from intercalation to conversion, which is of essential for material applications in both secondary ion batteries and electrochromic devices.« less

Effects of addition of Ta and Y ions to InZnO thin film transistors by sol-gel process.

PubMed

Son, Dae-Ho; Kim, Dae-Hwan; Kim, Jung-Hye; Park, Si-Nae; Sung, Shi-Joon; Kang, Jin-Kyu

2013-06-01

We have investigated the effects of the addition of tantalum (Ta) and yttrium (Y) ions to InZnO thin film transistors (TFTs) using the sol-gel process. TaInZnO and YInZnO TFTs had significantly lower off current and higher on-to-off current ratio than InZnO TFTs. Ta and Y ions have strong affinity to oxygen and so suppress the formation of free electron carriers in thin films; they play an important role in enhancing the electrical characteristic due to their high oxygen bonding ability. The optimized TaInZnO and YInZnO TFTs showed high on/off ratio and low subthreshold swing.

Electric field-assisted formation of organically modified hydroxyapatite (ormoHAP) spheres in carboxymethylated gelatin gels.

PubMed

Heinemann, C; Heinemann, S; Kruppke, B; Worch, H; Thomas, J; Wiesmann, H P; Hanke, T

2016-10-15

A biomimetic strategy was developed in order to prepare organically modified hydroxyapatite (ormoHAP) with spherical shape. The technical approach is based on electric field-assisted migration of calcium ions and phosphate ions into a hydrogel composed of carboxymethylated gelatin. The electric field as well as the carboxymethylation using glucuronic acid (GlcA) significantly accelerates the mineralization process, which makes the process feasible for lab scale production of ormoHAP spheres and probably beyond. A further process was developed for gentle separation of the ormoHAP spheres from the gelatin gel without compromising the morphology of the mineral. The term ormoHAP was chosen since morphological analyses using electron microscopy (SEM, TEM) and element analysis (EDX, FT-IR, XRD) confirmed that carboxymethylated gelatin molecules use to act as organic templates for the formation of nanocrystalline HAP. The hydroxyapatite (HAP) crystals self-organize to form hollow spheres with diameters ranging from 100 to 500nm. The combination of the biocompatible chemical composition and the unique structure of the nanocomposites is considered to be a useful basis for future applications in functionalized degradable biomaterials. A novel bioinspired mineralization process was developed based on electric field-assisted migration of calcium and phosphate ions into biochemically carboxymethylated gelatin acting as organic template. Advantages over conventional hydroxyapatite include particle size distribution and homogeneity as well as achievable mechanical properties of relevant composites. Moreover, specifically developed calcium ion or phosphate ion release during degradation can be useful to adjust the fate of bone cells in order to manipulate remodeling processes. The hollow structure of the spheres can be useful for embedding drugs in the core, encapsulated by the highly mineralized outer shell. In this way, controlled drug release could be achieved, which enables advanced strategies for threating bone-related diseases, e.g. osteoporosis and multiple myeloma. Copyright © 2016. Published by Elsevier Ltd.

Mechanisms of material removal and mass transport in focused ion beam nanopore formation

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

Das, Kallol, E-mail: das7@illinois.edu; Johnson, Harley T., E-mail: htj@illinois.edu; Freund, Jonathan B., E-mail: jbfreund@illinois.edu

2015-02-28

Despite the widespread use of focused ion beam (FIB) processing as a material removal method for applications ranging from electron microscope sample preparation to nanopore processing for DNA sequencing, the basic material removal mechanisms of FIB processing are not well understood. We present the first complete atomistic simulation of high-flux FIB using large-scale parallel molecular dynamics (MD) simulations of nanopore fabrication in freestanding thin films. We focus on the root mechanisms of material removal and rearrangement and describe the role of explosive boiling in forming nanopores. FIB nanopore fabrication is typically understood to occur via sputter erosion. This can bemore » shown to be the case in low flux systems, where individual ion impacts are sufficiently separated in time that they may be considered as independent events. But our detailed MD simulations show that in high flux FIB processing, above a threshold level at which thermal effects become significant, the primary mechanism of material removal changes to a significantly accelerated, thermally dominated process. Under these conditions, the target is heated by the ion beam faster than heat is conducted away by the material, leading quickly to melting, and then continued heating to nearly the material critical temperature. This leads to explosive boiling of the target material with spontaneous bubble formation and coalescence. Mass is rapidly rearranged at the atomistic scale, and material removal occurs orders of magnitude faster than would occur by simple sputtering. While the phenomenology is demonstrated computationally in silicon, it can be expected to occur at lower beam fluxes in other cases where thermal conduction is suppressed due to material properties, geometry, or ambient thermal conditions.« less

Study of ion-ion plasma formation in negative ion sources by a three-dimensional in real space and three-dimensional in velocity space particle in cell model

NASA Astrophysics Data System (ADS)

Nishioka, S.; Goto, I.; Miyamoto, K.; Hatayama, A.; Fukano, A.

2016-01-01

Recently, in large-scale hydrogen negative ion sources, the experimental results have shown that ion-ion plasma is formed in the vicinity of the extraction hole under the surface negative ion production case. The purpose of this paper is to clarify the mechanism of the ion-ion plasma formation by our three dimensional particle-in-cell simulation. In the present model, the electron loss along the magnetic filter field is taken into account by the " √{τ///τ⊥ } model." The simulation results show that the ion-ion plasma formation is due to the electron loss along the magnetic filter field. Moreover, the potential profile for the ion-ion plasma case has been looked into carefully in order to discuss the ion-ion plasma formation. Our present results show that the potential drop of the virtual cathode in front of the plasma grid is large when the ion-ion plasma is formed. This tendency has been explained by a relationship between the virtual cathode depth and the net particle flux density at the virtual cathode.

Ring current dynamics and plasma sheet sources. [magnetic storms

NASA Technical Reports Server (NTRS)

Lyons, L. R.

1984-01-01

The source of the energized plasma that forms in geomagnetic storm ring currents, and ring current decay are discussed. The dominant loss processes for ring current ions are identified as charge exchange and resonant interactions with ion-cyclotron waves. Ring current ions are not dominated by protons. At L4 and energies below a few tens of keV, O+ is the most abundant ion, He+ is second, and protons are third. The plasma sheet contributes directly or indirectly to the ring current particle population. An important source of plasma sheet ions is earthward streaming ions on the outer boundary of the plasma sheet. Ion interactions with the current across the geomagnetic tail can account for the formation of this boundary layer. Electron interactions with the current sheet are possibly an important source of plasma sheet electrons.

Argon ion beam induced surface pattern formation on Si

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

Hofsäss, H.; Bobes, O.; Zhang, K.

The development of self-organized surface patterns on Si due to noble gas ion irradiation has been studied extensively in the past. In particular, Ar ions are commonly used and the pattern formation was analyzed as function of ion incidence angle, ion fluence, and ion energies between 250 eV and 140 keV. Very few results exist for the energy regime between 1.5 keV and 10 keV and it appears that pattern formation is completely absent for these ion energies. In this work, we present experimental data on pattern formation for Ar ion irradiation between 1 keV and 10 keV and ion incidence angles between 50° and 75°.more » We confirm the absence of patterns at least for ion fluences up to 10{sup 18} ions/cm{sup 2}. Using the crater function formalism and Monte Carlo simulations, we calculate curvature coefficients of linear continuum models of pattern formation, taking into account contribution due to ion erosion and recoil redistribution. The calculations consider the recently introduced curvature dependence of the erosion crater function as well as the dynamic behavior of the thickness of the ion irradiated layer. Only when taking into account these additional contributions to the linear theory, our simulations clearly show that that pattern formation is strongly suppressed between about 1.5 keV and 10 keV, most pronounced at 3 keV. Furthermore, our simulations are now able to predict whether or not parallel oriented ripple patterns are formed, and in case of ripple formation the corresponding critical angles for the whole experimentally studied energies range between 250 eV and 140 keV.« less

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(+).

Elucidation of metal-ion accumulation induced by hydrogen bonds on protein surfaces by using porous lysozyme crystals containing Rh(III) ions as the model surfaces.

PubMed

Ueno, Takafumi; Abe, Satoshi; Koshiyama, Tomomi; Ohki, Takahiro; Hikage, Tatsuo; Watanabe, Yoshihito

2010-03-01

Metal-ion accumulation on protein surfaces is a crucial step in the initiation of small-metal clusters and the formation of inorganic materials in nature. This event is expected to control the nucleation, growth, and position of the materials. There remain many unknowns, as to how proteins affect the initial process at the atomic level, although multistep assembly processes of the materials formation by both native and model systems have been clarified at the macroscopic level. Herein the cooperative effects of amino acids and hydrogen bonds promoting metal accumulation reactions are clarified by using porous hen egg white lysozyme (HEWL) crystals containing Rh(III) ions, as model protein surfaces for the reactions. The experimental results reveal noteworthy implications for initiation of metal accumulation, which involve highly cooperative dynamics of amino acids and hydrogen bonds: i) Disruption of hydrogen bonds can induce conformational changes of amino-acid residues to capture Rh(III) ions. ii) Water molecules pre-organized by hydrogen bonds can stabilize Rh(III) coordination as aqua ligands. iii) Water molecules participating in hydrogen bonds with amino-acid residues can be replaced by Rh(III) ions to form polynuclear structures with the residues. iv) Rh(III) aqua complexes are retained on amino-acid residues through stabilizing hydrogen bonds even at low pH (approximately 2). These metal-protein interactions including hydrogen bonds may promote native metal accumulation reactions and also may be useful in the preparation of new inorganic materials that incorporate proteins.

Nanocavity formation processes in MgO( 1 0 0 ) by light ion (D, He, Li) and heavy ion (Kr, Cu, Au) implantation

NASA Astrophysics Data System (ADS)

van Veen, A.; van Huis, M. A.; Fedorov, A. V.; Schut, H.; Labohm, F.; Kooi, B. J.; De Hosson, J. Th. M.

2002-05-01

In studies on the controlled growth of metallic precipitates in MgO it is attempted to use nanometer size cavities as precursors for formation of metallic precipitates. In MgO nanocavities can easily be generated by light gas ion bombardment at room temperature with typically 30 keV ion energy to a dose of 10 16 cm -2, followed by annealing to 1300 K. It has been shown earlier by transmission electron microscopy (TEM) that the cavities (thickness 2-3 nm and length/width 5-10 nm) have a perfectly rectangular shape bounded by {1 0 0} faces. The majority of the gas has been released at this temperature and the cavities are stable until annealing at 1500 K. The depth location of the cavities and the implanted ions is monitored by positron beam analysis, neutron depth profiling, RBS/channeling and energy dispersive spectroscopy. The presence of metallic nanoprecipitates is detected by optical absorption measurements and by high-resolution XTEM. Surprisingly, all the metallic implants induce, in addition to metallic precipitates in a band at the mean ion range, small rectangular and cubic nanocavities. These are most clearly observed at a depth shallower than the precipitate band. In the case of gold the cavities are produced in close proximity to the crystal surface. The results indicate that in MgO vacancy clustering dominates over Frenkel-pair recombination. Results of molecular dynamics calculations will be used to discuss the observed defect recovery and clustering processes in MgO.

Muon Catalyzed Fusion in Solid Hydrogen

NASA Astrophysics Data System (ADS)

Marshall, Glen

1998-04-01

The mass, lifetime, and leptonic nature of the negative muon allow it to induce repeated fusion reactions between nuclei of hydrogen isotopes. The processes by which this takes place encompass nuclear as well as atomic and molecular interactions, both normal and exotic, with energy scales from meV to MeV. It has taken several decades to disentangle the important aspects and understand quantitatively what limitations exist on efficient catalysis of fusion. The two major limitations are the rates at which muonic molecular ions can be formed, and the small but critical probability that the muon becomes attached to a charged fusion product in the process known as sticking. Extensive theoretical work has resulted in a detailed understanding of both, and experimental efforts have contributed significant insight. There are unique experimental advantages to using solid hydrogen in the form of inhomogeneous layered targets. Non-thermalized muonic hydrogen atoms allow us to explore resonant molecular ion formation processes near eV kinetic energies. Isotopically specific layers make it possible to separate competing and confusing interactions. Unambiguous charged fusion product detection is simplified and complements the more conventional detection of fusion neutrons. Experiments with negative muons in solid hydrogen can help to understand the limitations of both the molecular ion formation rate and the sticking probability. The processes of importance will be described, followed by a discussion of recent results and possibilities for the future.

Synthesis of perbromates

NASA Technical Reports Server (NTRS)

Appelman, E. H.; Studier, M. H.

1969-01-01

Salts of heptavalent bromine were synthesized by a hot atom process, the beta decay of radioactive selenium-83 incorporated into a selenate. Formation of an unreactive perbromate ion led to preparation of macro amounts of perborate. A rubidium salt was isolated.

Study on the mechanism of copper-ammonia complex decomposition in struvite formation process and enhanced ammonia and copper removal.

PubMed

Peng, Cong; Chai, Liyuan; Tang, Chongjian; Min, Xiaobo; Song, Yuxia; Duan, Chengshan; Yu, Cheng

2017-01-01

Heavy metals and ammonia are difficult to remove from wastewater, as they easily combine into refractory complexes. The struvite formation method (SFM) was applied for the complex decomposition and simultaneous removal of heavy metal and ammonia. The results indicated that ammonia deprivation by SFM was the key factor leading to the decomposition of the copper-ammonia complex ion. Ammonia was separated from solution as crystalline struvite, and the copper mainly co-precipitated as copper hydroxide together with struvite. Hydrogen bonding and electrostatic attraction were considered to be the main surface interactions between struvite and copper hydroxide. Hydrogen bonding was concluded to be the key factor leading to the co-precipitation. In addition, incorporation of copper ions into the struvite crystal also occurred during the treatment process. Copyright © 2016. Published by Elsevier B.V.

Formation of charged nanoparticles in hydrocarbon flames: principal mechanisms

NASA Astrophysics Data System (ADS)

Starik, A. M.; Savel'ev, A. M.; Titova, N. S.

2008-11-01

The processes of charged gaseous and particulate species formation in sooting hydrocarbon/air flame are studied. The original kinetic model, comprising the chemistry of neutral and charged gaseous species, generation of primary clusters, which then undergo charging due to attachment of ions and electrons to clusters and via thermoemission, and coagulation of charged-charged, charged-neutral and neutral-neutral particles, is reported. The analysis shows that the principal mechanisms of charged particle origin in hydrocarbon flames are associated with the attachment of ions and electrons produced in the course of chemoionization reactions to primary small clusters and particles and coagulation via charged-charged and charged-neutral particle interaction. Thermal ionization of particles does not play a significant role in the particle charging. This paper was presented at the Third International Symposium on Nonequilibrium Process, combustion, and Atmospheric Phenomena (Dagomys, Sochi, Russia, 25-29 June 2007).

Resonant electron capture by aspartame and aspartic acid molecules.

PubMed

Muftakhov, M V; Shchukin, P V

2016-12-30

The processes for dissociative electron capture are the key mechanisms for decomposition of biomolecules, proteins in particular, under interaction with low-energy electrons. Molecules of aspartic acid and aspartame, i.e. modified dipeptides, were studied herein to define the impact of the side functional groups on peptide chain decomposition in resonant electron-molecular reactions. The processes of formation and decomposition of negative ions of both aspartame and aspartic acid were studied by mass spectrometry of negative ions under resonant electron capture. The obtained mass spectra were interpreted under thermochemical analysis by quantum chemical calculations. Main channels of negative molecular ions fragmentation were found and characteristic fragment ions were identified. The СООН fragment of the side chain in aspartic acid is shown to play a key role like the carboxyl group in amino acids and aliphatic oligopeptides. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Space Plasma Ion Processing of Ilmenite in the Lunar Soil: Insights from In-Situ TEM Ion Irradiation Experiments

NASA Technical Reports Server (NTRS)

Christoffersen, R.; Keller, L. P.

2007-01-01

Space weathering on the moon and asteroids results largely from the alteration of the outer surfaces of regolith grains by the combined effects of solar ion irradiation and other processes that include deposition of impact or sputter-derived vapors. Although no longer considered the sole driver of space weathering, solar ion irradiation remains a key part of the space weathering puzzle, and quantitative data on its effects on regolith minerals are still in short supply. For the lunar regolith, previous transmission electron microscope (TEM) studies performed by ourselves and others have uncovered altered rims on ilmenite (FeTiO3) grains that point to this phase as a unique "witness plate" for unraveling nanoscale space weathering processes. Most notably, the radiation processed portions of these ilmenite rims consistently have a crystalline structure, in contrast to radiation damaged rims on regolith silicates that are characteristically amorphous. While this has tended to support informal designation of ilmenite as a "radiation resistant" regolith mineral, there are to date no experimental data that directly and quantitatively compare ilmenite s response to ion radiation relative to lunar silicates. Such data are needed because the radiation processed rims on ilmenite grains, although crystalline, are microstructurally and chemically complex, and exhibit changes linked to the formation of nanophase Fe metal, a key space weathering process. We report here the first ion radiation processing study of ilmenite performed by in-situ means using the Intermediate Voltage Electron Microscope- Tandem Irradiation facility (IVEM-Tandem) at Argonne National Laboratory. The capability of this facility for performing real time TEM observations of samples concurrent with ion irradiation makes it uniquely suited for studying the dose-dependence of amorphization and other changes in irradiated samples.

Electrocatalytic transformation of HF impurity to H 2 and LiF in lithium-ion batteries

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

Strmcnik, Dusan; Castelli, Ivano E.; Connell, Justin G.

The formation of solid electrolyte interphase on graphite anodes plays a key role in the efficiency of Li-ion batteries. However, to date, fundamental understanding of the formation of LiF as one of the main solid electrolyte interphase components in hexafluorophosphate-based electrolytes remains elusive. In this paper, we present experimental and theoretical evidence that LiF formation is an electrocatalytic process that is controlled by the electrochemical transformation of HF impurity to LiF and H 2. Although the kinetics of HF dissociation and the concomitant production of LiF and H 2 is dependent on the structure and nature of surface atoms, themore » underlying electrochemistry is the same. The morphology, and thus the role, of the LiF formed is strongly dependent on the nature of the substrate and HF inventory, leading to either complete or partial passivation of the interface. Finally, our finding is of general importance and may lead to new opportunities for the improvement of existing, and design of new, Li-ion technologies.« less

Electrocatalytic transformation of HF impurity to H 2 and LiF in lithium-ion batteries

DOE PAGES

Strmcnik, Dusan; Castelli, Ivano E.; Connell, Justin G.; ...

2018-04-09

The formation of solid electrolyte interphase on graphite anodes plays a key role in the efficiency of Li-ion batteries. However, to date, fundamental understanding of the formation of LiF as one of the main solid electrolyte interphase components in hexafluorophosphate-based electrolytes remains elusive. In this paper, we present experimental and theoretical evidence that LiF formation is an electrocatalytic process that is controlled by the electrochemical transformation of HF impurity to LiF and H 2. Although the kinetics of HF dissociation and the concomitant production of LiF and H 2 is dependent on the structure and nature of surface atoms, themore » underlying electrochemistry is the same. The morphology, and thus the role, of the LiF formed is strongly dependent on the nature of the substrate and HF inventory, leading to either complete or partial passivation of the interface. Finally, our finding is of general importance and may lead to new opportunities for the improvement of existing, and design of new, Li-ion technologies.« less

The influence of projectile ion induced chemistry on surface pattern formation

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

Karmakar, Prasanta, E-mail: prasantak@vecc.gov.in; Satpati, Biswarup

We report the critical role of projectile induced chemical inhomogeneity on surface nanostructure formation. Experimental inconsistency is common for low energy ion beam induced nanostructure formation in the presence of uncontrolled and complex contamination. To explore the precise role of contamination on such structure formation during low energy ion bombardment, a simple and clean experimental study is performed by selecting mono-element semiconductors as the target and chemically inert or reactive ion beams as the projectile as well as the source of controlled contamination. It is shown by Atomic Force Microscopy, Cross-sectional Transmission Electron Microscopy, and Electron Energy Loss Spectroscopy measurementsmore » that bombardment of nitrogen-like reactive ions on Silicon and Germanium surfaces forms a chemical compound at impact zones. Continuous bombardment of the same ions generates surface instability due to unequal sputtering and non-uniform re-arrangement of the elemental atom and compound. This instability leads to ripple formation during ion bombardment. For Argon-like chemically inert ion bombardment, the chemical inhomogeneity induced boost is absent; as a result, no ripples are observed in the same ion energy and fluence.« less

Emitter formation in dendritic web silicon solar cells

NASA Technical Reports Server (NTRS)

Meier, D. L.; Rohatgi, A.; Campbell, R. B.; Alexander, P.; Fonash, S. J.; Singh, R.

1984-01-01

The use of liquid dopants and liquid masks for p-n junction formation in dendritic web solar cells was investigated and found to be equivalent to the use of gaseous dopants and CVD SiO2 masks previously used. This results in a projected cost reduction of 0.02 1980$/Watt for a 25 MW/year production line, and makes possible junction formation processes having a higher throughput than more conventional processes. The effect of a low-energy (0.4 keV) hydrogen ion implant on dendritic web solar cells was also investigated. Such an implant was observed to improve Voc and Jsc substantially. Measurements of internal quantum efficiency suggest that it is the base of the cell, rather than the emitter, which benefits from the hydrogen implant. The diffusion length for electrons in the p-type base increased from 53 microns to 150 microns in one case, with dendritic web cell efficiency being boosted to 15.2 percent. The mechanism by which low-energy hydrogen ions can penetrate deeply into the silicon to effect the observed improvement is not known at this time.

Influence of memory effect on the state-of-charge estimation of large-format Li-ion batteries based on LiFePO4 cathode

NASA Astrophysics Data System (ADS)

Shi, Wei; Wang, Jiulin; Zheng, Jianming; Jiang, Jiuchun; Viswanathan, Vilayanur; Zhang, Ji-Guang

2016-04-01

In this work, we systematically investigated the influence of the memory effect of LiFePO4 cathodes in large-format full batteries. The electrochemical performance of the electrodes used in these batteries was also investigated separately in half-cells to reveal their intrinsic properties. We noticed that the memory effect of LiFePO4/graphite cells depends not only on the maximum state of charge reached during the memory writing process, but is also affected by the depth of discharge reached during the memory writing process. In addition, the voltage deviation in a LiFePO4/graphite full battery is more complex than in a LiFePO4/Li half-cell, especially for a large-format battery, which exhibits a significant current variation in the region near its terminals. Therefore, the memory effect should be taken into account in advanced battery management systems to further extend the long-term cycling stabilities of Li-ion batteries using LiFePO4 cathodes.

Rapid, room-temperature synthesis of amorphous selenium/protein composites using Capsicum annuum L extract

NASA Astrophysics Data System (ADS)

Li, Shikuo; Shen, Yuhua; Xie, Anjian; Yu, Xuerong; Zhang, Xiuzhen; Yang, Liangbao; Li, Chuanhao

2007-10-01

We describe the formation of amorphous selenium (α-Se)/protein composites using Capsicum annuum L extract to reduce selenium ions (SeO32-) at room temperature. The reaction occurs rapidly and the process is simple and easy to handle. A protein with a molecular weight of 30 kDa extracted from Capsicum annuum L not only reduces the SeO32- ions to Se0, but also controls the nucleation and growth of Se0, and even participates in the formation of α-Se/protein composites. The size and shell thickness of the α-Se/protein composites increases with high Capsicum annuum L extract concentration, and decreases with low reaction solution pH. The results suggest that this eco-friendly, biogenic synthesis strategy could be widely used for preparing inorganic/organic biocomposites. In addition, we also discuss the possible mechanism of the reduction of SeO32- ions by Capsicum annuum L extract.

The re-emergence of sodium ion batteries: testing, processing, and manufacturability

PubMed Central

Roberts, Samuel; Kendrick, Emma

2018-01-01

With the re-emergence of sodium ion batteries (NIBs), we discuss the reasons for the recent interests in this technology and discuss the synergies between lithium ion battery (LIB) and NIB technologies and the potential for NIB as a “drop-in” technology for LIB manufacturing. The electrochemical testing of sodium materials in sodium metal anode arrangements is reviewed. The performance, stability, and polarization of the sodium in these test cells lead to alternative testing in three-electrode and alternative anode cell configurations. NIB manufacturability is also discussed, together with the impact that the material stability has upon the electrodes and coating. Finally, full-cell NIB technologies are reviewed, and literature proof-of-concept cells give an idea of some of the key differences in the testing protocols of these batteries. For more commercially relevant formats, safety, passive voltage control through cell balancing and cell formation aspects are discussed. PMID:29910609

A peptide hormone required for Casparian strip diffusion barrier formation in Arabidopsis roots.

PubMed

Nakayama, Takuya; Shinohara, Hidefumi; Tanaka, Mina; Baba, Koki; Ogawa-Ohnishi, Mari; Matsubayashi, Yoshikatsu

2017-01-20

Plants achieve mineral ion homeostasis by means of a hydrophobic barrier on endodermal cells called the Casparian strip, which restricts lateral diffusion of ions between the root vascular bundles and the soil. We identified a family of sulfated peptides required for contiguous Casparian strip formation in Arabidopsis roots. These peptide hormones, which we named Casparian strip integrity factor 1 (CIF1) and CIF2, are expressed in the root stele and specifically bind the endodermis-expressed leucine-rich repeat receptor kinase GASSHO1 (GSO1)/SCHENGEN3 and its homolog, GSO2. A mutant devoid of CIF peptides is defective in ion homeostasis in the xylem. CIF genes are environmentally responsive. Casparian strip regulation is not merely a passive process driven by root developmental cues; it also serves as an active strategy to cope with adverse soil conditions. Copyright © 2017, American Association for the Advancement of Science.

Global atmospheric particle formation from CERN CLOUD measurements.

PubMed

Dunne, Eimear M; Gordon, Hamish; Kürten, Andreas; Almeida, João; Duplissy, Jonathan; Williamson, Christina; Ortega, Ismael K; Pringle, Kirsty J; Adamov, Alexey; Baltensperger, Urs; Barmet, Peter; Benduhn, Francois; Bianchi, Federico; Breitenlechner, Martin; Clarke, Antony; Curtius, Joachim; Dommen, Josef; Donahue, Neil M; Ehrhart, Sebastian; Flagan, Richard C; Franchin, Alessandro; Guida, Roberto; Hakala, Jani; Hansel, Armin; Heinritzi, Martin; Jokinen, Tuija; Kangasluoma, Juha; Kirkby, Jasper; Kulmala, Markku; Kupc, Agnieszka; Lawler, Michael J; Lehtipalo, Katrianne; Makhmutov, Vladimir; Mann, Graham; Mathot, Serge; Merikanto, Joonas; Miettinen, Pasi; Nenes, Athanasios; Onnela, Antti; Rap, Alexandru; Reddington, Carly L S; Riccobono, Francesco; Richards, Nigel A D; Rissanen, Matti P; Rondo, Linda; Sarnela, Nina; Schobesberger, Siegfried; Sengupta, Kamalika; Simon, Mario; Sipilä, Mikko; Smith, James N; Stozkhov, Yuri; Tomé, Antonio; Tröstl, Jasmin; Wagner, Paul E; Wimmer, Daniela; Winkler, Paul M; Worsnop, Douglas R; Carslaw, Kenneth S

2016-12-02

Fundamental questions remain about the origin of newly formed atmospheric aerosol particles because data from laboratory measurements have been insufficient to build global models. In contrast, gas-phase chemistry models have been based on laboratory kinetics measurements for decades. We built a global model of aerosol formation by using extensive laboratory measurements of rates of nucleation involving sulfuric acid, ammonia, ions, and organic compounds conducted in the CERN CLOUD (Cosmics Leaving Outdoor Droplets) chamber. The simulations and a comparison with atmospheric observations show that nearly all nucleation throughout the present-day atmosphere involves ammonia or biogenic organic compounds, in addition to sulfuric acid. A considerable fraction of nucleation involves ions, but the relatively weak dependence on ion concentrations indicates that for the processes studied, variations in cosmic ray intensity do not appreciably affect climate through nucleation in the present-day atmosphere. Copyright © 2016, American Association for the Advancement of Science.

Linked supramolecular building blocks for enhanced cluster formation

DOE PAGES

McLellan, Ross; Palacios, Maria A.; Beavers, Christine M.; ...

2015-01-09

Methylene-bridged calix[4]arenes have emerged as extremely versatile ligand supports in the formation of new polymetallic clusters possessing fascinating magnetic properties. Metal ion binding rules established for this building block allow one to partially rationalise the complex assembly process. The ability to covalently link calix[4]arenes at the methylene bridge provides significantly improved control over the introduction of different metal centres to resulting cluster motifs. Clusters assembled from bis-calix[4]arenes and transition metal ions or 3d-4f combinations display characteristic features of the analogous calix[4]arene supported clusters, thereby demonstrating an enhanced and rational approach towards the targeted synthesis of complex and challenging structures.

Ordered WO3-x nanorods: facile synthesis and their electrochemical properties for aluminum-ion batteries.

PubMed

Tu, Jiguo; Lei, Haiping; Yu, Zhijing; Jiao, Shuqiang

2018-02-01

In this work, we have synthesized ordered WO 3 nanorods via a facile hydrothermal process. And the series WO 3-x nanorods with oxygen vacancies are obtained via a subsequent thermal reduction process. The formation mechanisms of WO 3-x nanorods with different oxygen vacancies are proposed. And the electrochemical results reveal that the WO 3-x nanorods exhibit the improved specific capacity due to the oxygen vacancies caused by the thermal reduction. More importantly, the reaction mechanism of the WO 3-x nanorods as cathodes for aluminum-ion batteries has been proved.

Brine rejection from freezing salt solutions: a molecular dynamics study.

PubMed

Vrbka, Lubos; Jungwirth, Pavel

2005-09-30

The atmospherically and technologically very important process of brine rejection from freezing salt solutions is investigated with atomic resolution using molecular dynamics simulations. The present calculations allow us to follow the motion of each water molecule and salt ion and to propose a microscopic mechanism of brine rejection, in which a fluctuation (reduction) of the ion density in the vicinity of the ice front is followed by the growth of a new ice layer. The presence of salt slows down the freezing process, which leads to the formation of an almost neat ice next to a disordered brine layer.

Crossed-beam velocity map imaging of collisional autoionization processes

NASA Astrophysics Data System (ADS)

Delmdahl, Ralph F.; Bakker, Bernard L. G.; Parker, David H.

2000-11-01

Applying the velocity map imaging technique Penning ion formation as well as generation of associative ions is observed in autoionizing collisions of metastable neon atoms (Ne* 2p5 3s 3P2,0) with ground state argon targets in a crossed molecular beam experiment. Metastable neon reactants are obtained by nozzle expansion through a dc discharge ring. The quality of the obtained results clearly demonstrates the suitability of this new, particularly straightforward experimental approach with respect to angle and kinetic energy resolved investigations of Penning processes in crossed-beam studies which are known to provide the highest level of detail.

How do air ions reflect variations in ionising radiation in the lower atmosphere in a boreal forest?

NASA Astrophysics Data System (ADS)

Chen, Xuemeng; Kerminen, Veli-Matti; Paatero, Jussi; Paasonen, Pauli; Manninen, Hanna E.; Nieminen, Tuomo; Petäjä, Tuukka; Kulmala, Markku

2016-11-01

Most of the ion production in the atmosphere is attributed to ionising radiation. In the lower atmosphere, ionising radiation consists mainly of the decay emissions of radon and its progeny, gamma radiation of the terrestrial origin as well as photons and elementary particles of cosmic radiation. These types of radiation produce ion pairs via the ionisation of nitrogen and oxygen as well as trace species in the atmosphere, the rate of which is defined as the ionising capacity. Larger air ions are produced out of the initial charge carriers by processes such as clustering or attachment to pre-existing aerosol particles. This study aimed (1) to identify the key factors responsible for the variability in ionising radiation and in the observed air ion concentrations, (2) to reveal the linkage between them and (3) to provide an in-depth analysis into the effects of ionising radiation on air ion formation, based on measurement data collected during 2003-2006 from a boreal forest site in southern Finland. In general, gamma radiation dominated the ion production in the lower atmosphere. Variations in the ionising capacity came from mixing layer dynamics, soil type and moisture content, meteorological conditions, long-distance transportation, snow cover attenuation and precipitation. Slightly similar diurnal patterns to variations in the ionising capacity were observed in air ion concentrations of the cluster size (0.8-1.7 nm in mobility diameters). However, features observed in the 0.8-1 nm ion concentration were in good connection to variations of the ionising capacity. Further, by carefully constraining perturbing variables, a strong dependency of the cluster ion concentration on the ionising capacity was identified, proving the functionality of ionising radiation in air ion production in the lower atmosphere. This relationship, however, was only clearly observed on new particle formation (NPF) days, possibly indicating that charges after being born underwent different processes on NPF days and non-event days and also that the transformation of newly formed charges to cluster ions occurred in a shorter timescale on NPF days than on non-event days.

Non-thermal Processes in the Formation of Mercury's Tenuous Exosphere

NASA Astrophysics Data System (ADS)

Schaible, M. J.; Bennett, C.; Jones, B. M.; Orlando, T. M.

2017-12-01

Recent observations from the MESSENGER spacecraft orbiting Mercury have established that a quasi-trapped population of ions and electrons with 1-10 keV energy exists at a distance of about 1.5 RM (RM is Mercury's radius) around much of the planet. Recent observations from the Fast Imaging Plasma Spectrometer (FIPS), taken < 400 km from the surface, have shown a plasma cusp with energetic heavy ions (i.e. Na+ and O+ groups). The sources of these ions are not clear. A newly developed global kinetic transport model suggests that electron-stimulated desorption (ESD), and possibly light ion stimulated desorption (ISD), can directly yield ions that can be transported and dynamically accelerated to the plasma cusp regions observed by FIPS. Neutrals desorbed from the surface by ESD, ISD, photon-stimulated desorption (PSD) and meteorite impact may also be photoionized and transported/injected into the cusp region. Though the relative importance of these mechanisms in the formation of Mercury's tenuous atmosphere and the subsequent effects on the exosphere/magnetosphere dynamics are not known, it is likely that all of these contribute significantly. The goals of this work are to measure desorption cross-sections and ejection velocities for Na+, O+, and water group ions under relevant electron and ion bombardment energies. This program utilizes state-of-the art surface science capabilities to probe the role of ESD and ISD as a source of ions and neutrals present in the exosphere of Mercury. The experimental chamber is equipped with a dosing system, a cryogenic cooled temperature controlled sample holder, as well as pulsed ion and electron sources. The ESD and ISD ion yields and velocity measurements are obtained directly by sampling with a time-of-flight mass spectrometer. The measured ESD ion yields from adsorbate covered Mercury surface analogs such as the sulfur bearing minerals MgS, Na2S and K2S are low. Additionally, ISD experiments using incident protons also yielded low ion signals. These results implicate PSD and neutral desorption as dominant processes. The information obtained from these experiments can be directly incorporated into model simulations for comparison with data recently obtained by the FIPS instrument.

Concept Study for Military Port Design Using Natural Processes.

DTIC Science & Technology

1982-06-15

exchange methods are so good in this ocean heat sink with its diffused materials because it uses its chemicals to attach the ions and then to make acids...H.L., "Saturation State of Calcium Carbonate in Seawater and its Possible Significance for Scale Formation on OTEC Heat Exchanger ," Abstract...Which Harvest Calcium and Magnesium as Structural Materials E. Forming Structures from Silicates After Ion Exchanging , Using Hot and Cold Forming

Ion and Electron Interactions at Thermal and Suprathermal Energies

DTIC Science & Technology

1989-09-30

example, upper limits to the heats of formation of HPO, H2 PO , PCH 2 + and HCP have been obtained. The details are given in the research paper... formation requires that electronegative gases (such as O , halogens, chlorofluorocarbonsI be present. A multitude of excited states of A, and B2 and...6lal. A ’, -- A + B, Mutual neutralization The ternary process 6(b) c:ould ’esilt in the 6ihl. A’ - B_ - M- Ternjrv ionic formation of AB A- B. , +M

Formation of ion-pairs in aqueous solutions of diclofenac salts.

PubMed

Fini, A; Fazio, G; Gonzalez-Rodriguez, M; Cavallari, C; Passerini, N; Rodriguez, L

1999-10-05

In this work we studied the ability of the diclofenac anion to form ion-pairs in aqueous solution in the presence of organic and inorganic cations: ion-pairs have a polarity and hydrophobicity more suitable to the partition than each ion considered separately and can be extracted by a lipid phase. The cations considered were those of the organic bases diethylamine, diethanolamine, pyrrolidine, N-(2-hydroxyethyl) pyrrolidine and N-(2-hydroxyethyl) piperidine; the inorganic cations studied were Li(+), Na(+), K(+), Rb(+), Cs(+). Related to each cation we determined the equilibrium constant (K(XD)) for the ion-pair formation with the diclofenac anion in aqueous solution and the water/n-octanol partition coefficient (P(XD)) for each type of ion-pair formed. Among the alkali metal cations, only Li(+) shows some interaction with the diclofenac anion, in agreement with its physiological behaviour of increasing clearance during the administration of diclofenac. The influence of the ionic radius and desolvation enthalpy of the alkali metal cations on the ion-pair formation and partition was briefly discussed. Organic cations promote the formation of ion-pairs with the diclofenac anion better than the inorganic ones, and improve the partition of the ion-pair according to their hydrophobicity. The values of the equilibrium parameters for the formation and partition of ion-pairs are not high enough to allow the direct detection of their presence in the aqueous solution. Their formation can be appreciated in the presence of a lipid phase that continuously extracts the ion-pair. Extraction constants (E(XD)=P(XD) times K(XD)) increase passing from inorga to organic cations. This study could help to clarify the mechanism of the percutaneous absorption of diclofenac in the form of a salt, a route where the formation of ion-pairs appears to play an important role.

Transport and Stability in C-Mod ITBs in Diverse Regimes

NASA Astrophysics Data System (ADS)

Fiore, C. L.; Ernst, D. R.; Howard, N. T.; Kasten, C. P.; Mikkelsen, D.; Reinke, M. L.; Rice, J. E.; White, A. E.; Rowan, W. L.; Bespamyatnov, I.

2012-10-01

Internal Transport Barriers (ITBs) in C-Mod feature highly peaked density and pressure profiles and are typically induced by the introduction of radio frequency power in the ion cyclotron range of frequencies (ICRF) with the second harmonic of the resonance for minority hydrogen ions positioned off-axis at the plasma half radius on either the low or high field side of the plasma. These ITBs are formed in the absence of particle or momentum injection, and with monotonic q profiles with qmin< 1. Thus they allow exploration of ITB dynamics in a reactor relevant regime. Recently, linear and non-linear gyrokinetic simulations have demonstrated that changes in the ion temperature and plasma rotation profiles, coincident with the application of off-axis ICRF heating, contribute to greater stability to ion temperature gradient driven fluctuation in the plasma. This results in reduced turbulent driven outgoing heat flux. To date, ITB formation in C-Mod has only been observed in EDA H-mode plasmas with moderate (2-3 MW) ICRF power. Experiments to explore the formation of ITBs in other operating regimes such as I-mode and also with high ICRF power are being undertaken to understand further the process of ITB formation and sustainment, especially with regard to turbulent driven transport.

Thermal characterizations of a large-format lithium ion cell focused on high current discharges

NASA Astrophysics Data System (ADS)

Veth, C.; Dragicevic, D.; Merten, C.

2014-12-01

The thermal behavior of a large-format lithium ion cell has been investigated during measurements on cell and battery level. High current discharges up to 300 A are the main topic of this study. This paper demonstrates that the temperature response to high current loads provides the possibility to investigate internal cell parameters and their inhomogeneity. In order to identify thermal response caused by internal cell processes, the heat input due to contact resistances has been minimized. The differences between the thermal footprint of a cell during cell and battery measurements are being addressed. The study presented here focuses on the investigation of thermal hot and cold spots as well as temperature gradients in a 50 Ah pouch cell. Furthermore, it is demonstrated that the difference between charge and discharge can have significant influence on the thermal behavior of lithium ion cells. Moreover, the miscellaneous thermal characteristics of differently aged lithium ion cells highlight the possibility of an ex-situ non-destructive post-mortem-analysis, providing the possibility of a qualitative and quantitative characterization of inhomogeneous cell-aging. These investigations also generate excellent data for the validation and parameterization of electro-thermal cell models, predicting the distribution of temperature, current, potential, SOC and SOH inside large-format cells.

Energetic ion bombardment of Ag surfaces by C60+ and Ga+ projectiles.

PubMed

Sun, Shixin; Szakal, Christopher; Winograd, Nicholas; Wucher, Andreas

2005-10-01

The ion bombardment-induced release of particles from a metal surface is investigated using energetic fullerene cluster ions as projectiles. The total sputter yield as well as partial yields of neutral and charged monomers and clusters leaving the surface are measured and compared with corresponding data obtained with atomic projectile ions of similar impact kinetic energy. It is found that all yields are enhanced by about one order of magnitude under bombardment with the C60+ cluster projectiles compared with Ga+ ions. In contrast, the electronic excitation processes determining the secondary ion formation probability are unaffected. The kinetic energy spectra of sputtered particles exhibit characteristic differences which reflect the largely different nature of the sputtering process for both types of projectiles. In particular, it is found that under C60+ impact (1) the energy spectrum of sputtered atoms peaks at significantly lower kinetic energies than for Ga+ bombardment and (2) the velocity spectra of monomers and dimers are virtually identical, a finding which is in pronounced contrast to all published data obtained for atomic projectiles. The experimental findings are in reasonable agreement with recent molecular dynamics simulations.

Nitriding of titanium and titanium: 8 percent aluminum, 1 percent molybdenum, 1 percent vanadium alloy with an ion-beam source

NASA Technical Reports Server (NTRS)

Gill, A.

1983-01-01

Titanium and Ti-8Al-1Mo-1V alloy were nitrided with an ion-beam source of nitrogen or argon and nitrogen at a total pressure of 2 x 10 to the minus 4th power to 10 x 10 to the minus 4th power torr. The treated surface was characterized by surface profilometry, X-ray diffractometry, Auger electron spectroscopy and microhardness measurements. The tetragonal Ti2N phase formed in pure titanium and Ti-8Al-1Mo-1V alloy with traces of AlN in the alloy. Two opposite processes competed during the ion-beam-nitriding process: (1) formation of nitrides in the surface layer and (2) sputtering of the nitrided layers by the ion beam. The highest surface hardnesses, about 500 kg/sq mm in titanium and 800 kg/sq mm in Ti-8Al-1Mo-1V, were obtained by ion nitriding with an ion beam of pure nitrogen at 4.2 x 10 to the minus 4th power torr at a beam voltage of 1000 V.

Toward understanding dynamic annealing processes in irradiated ceramics

NASA Astrophysics Data System (ADS)

Myers, Michael Thomas

High energy particle irradiation inevitably generates defects in solids in the form of collision cascades. The ballistic formation and thermalization of cascades occur rapidly and are believed to be reasonably well understood. However, knowledge of the evolution of defects after damage cascade thermalization, referred to as dynamic annealing, is quite limited. Unraveling the mechanisms associated with dynamic an- nealing is crucial since such processes play an important role in the formation of stable post-irradiation disorder in ion-beam-processed semiconductors and determines the "radiation tolerance" of many nuclear materials. The purpose of this dissertation is to further our understanding of the processes involved in dynamic annealing. In order to achieve this, two main tasks are undertaken. First, the effects of dynamic annealing are investigated in ZnO, a technologically relevant material that exhibits very high dynamic defect annealing at room temper- ature. Such high dynamic annealing leads to unusual defect accumulation in heavy ion bombarded ZnO. Through this work, the puzzling features that were observed more than a decade ago in ion-channeling spectra have finally been explained. We show that the presence of a polar surface substantially alters damage accumulation. Non-polar surface terminations of ZnO are shown to exhibit enhanced dynamic an- nealing compared to polar surface terminated ZnO. Additionally, we demonstrate one method to reduce radiation damage in polar surface terminated ZnO by means of a surface modification. These results advance our efforts in the long-sought-after goal of understanding complex radiation damage processes in ceramics. Second, a pulsed-ion-beam method is developed and demonstrated in the case of Si as a prototypical non-metallic target. Such a method is shown to be a novel experimental technique for direct extraction of dynamic annealing parameters. The relaxation times and effective diffusion lengths of mobile defects during the dynamic annealing process play a vital role in damage accumulation. We demonstrate that these parameters dominate the formation of stable post-irradiation disorder. In Si, a defect lifetime of ˜ 6 ms and a characteristic defect diffusion length of ˜ 30 nm are measured. These results should nucleate future pulsed-beam studies of dynamic defect interaction processes in technologically relevant materials. In particular, un- derstanding length- and time-scales of defect interactions are essential for extending laboratory findings to nuclear material lifetimes and to the time-scales of geological storage of nuclear waste.

Facile synthesis of silver nanocubes with sharp corners and edges in an aqueous solution

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

Zhou, Shan; Li, Jianhua; Gilroy, Kyle D.

It remains a challenge to synthesize Ag nanocubes in an aqueous system, although the polyol process was successfully adopted more than one decade ago. Here, we report an aqueous method for the synthesis of Ag nanocubes with an average edge length of 35–95 nm. It involves the formation of AgCl octahedra by mixing CF 3COOAg with cetyltrimethylammonium chloride, followed by the nucleation and growth of Ag nanocrystals in the presence of ascorbic acid (AA) and FeCl 3. The Fe 3+/Fe 2+ redox pair is responsible for the removal of multiply twinned seeds through oxidative etching. Here, the Cl – ionsmore » play two critical roles in the nucleation and growth of Ag nanocubes with a single-crystal structure. First, the Cl – ions react with Ag + ions to generate nanometer-sized AgCl octahedra in the initial stage of a synthesis. In the presence of room light and a proper reducing agent such as AA, the AgCl can be reduced to generate Ag n nuclei followed by their evolution into single-crystal seeds and then Ag nanocrystals. Second, the Cl – ions can act as a specific capping agent toward the Ag(100) surface, enabling the formation of Ag nanocubes with sharp corners and edges. Based on the results from a set of time-lapse studies and control experiments, we formulate a plausible mechanism to account for the formation of Ag nanocubes that resembles the formation and development of latent image centers in silver halide grains in the photographic process.« less

Facile synthesis of silver nanocubes with sharp corners and edges in an aqueous solution

DOE PAGES

Zhou, Shan; Li, Jianhua; Gilroy, Kyle D.; ...

2016-09-20

It remains a challenge to synthesize Ag nanocubes in an aqueous system, although the polyol process was successfully adopted more than one decade ago. Here, we report an aqueous method for the synthesis of Ag nanocubes with an average edge length of 35–95 nm. It involves the formation of AgCl octahedra by mixing CF 3COOAg with cetyltrimethylammonium chloride, followed by the nucleation and growth of Ag nanocrystals in the presence of ascorbic acid (AA) and FeCl 3. The Fe 3+/Fe 2+ redox pair is responsible for the removal of multiply twinned seeds through oxidative etching. Here, the Cl – ionsmore » play two critical roles in the nucleation and growth of Ag nanocubes with a single-crystal structure. First, the Cl – ions react with Ag + ions to generate nanometer-sized AgCl octahedra in the initial stage of a synthesis. In the presence of room light and a proper reducing agent such as AA, the AgCl can be reduced to generate Ag n nuclei followed by their evolution into single-crystal seeds and then Ag nanocrystals. Second, the Cl – ions can act as a specific capping agent toward the Ag(100) surface, enabling the formation of Ag nanocubes with sharp corners and edges. Based on the results from a set of time-lapse studies and control experiments, we formulate a plausible mechanism to account for the formation of Ag nanocubes that resembles the formation and development of latent image centers in silver halide grains in the photographic process.« less

SERS-active silver nanoparticle aggregates produced in high-iron float glass by ion exchange process

NASA Astrophysics Data System (ADS)

Karvonen, L.; Chen, Y.; Säynätjoki, A.; Taiviola, K.; Tervonen, A.; Honkanen, S.

2011-11-01

Silver nanoparticles were produced in iron containing float glasses by silver-sodium ion exchange and post-annealing. In particular, the effect of the concentration and the oxidation state of iron in the host glass on the nanoparticle formation was studied. After the nanoparticle fabrication process, the samples were characterized by optical absorption measurements. The samples were etched to expose nanoparticle aggregates on the surface, which were studied by optical microscopy and scanning electron microscopy. The SERS-activity of these glass samples was demonstrated and compared using a dye molecule Rhodamine 6G (R6G) as an analyte. The importance of the iron oxidation level for reduction process is discussed. The glass with high concentration of Fe 2+ ions was found to be superior in SERS applications of silver nanoparticles. The optimal surface features in terms of SERS enhancement are also discussed.

Chemical effects in ion mixing of a ternary system (metal-SiO2)

NASA Technical Reports Server (NTRS)

Banwell, T.; Nicolet, M.-A.; Sands, T.; Grunthaner, P. J.

1987-01-01

The mixing of Ti, Cr, and Ni thin films with SiO2 by low-temperature (- 196-25 C) irradiation with 290 keV Xe has been investigated. Comparison of the morphology of the intermixed region and the dose dependences of net metal transport into SiO2 reveals that long range motion and phase formation probably occur as separate and sequential processes. Kinetic limitations suppress chemical effects in these systems during the initial transport process. Chemical interactions influence the subsequent phase formation.

Simulation of perturbation produced by an absorbing spherical body in collisionless plasma

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

Krasovsky, V. L., E-mail: vkrasov@iki.rssi.ru; Kiselyov, A. A., E-mail: alexander.kiselyov@stonehenge-3.net.ru; Dolgonosov, M. S.

2017-01-15

A steady plasma state reached in the course of charging of an absorbing spherical body is found using computational methods. Numerical simulations provide complete information on this process, thereby allowing one to find the spatiotemporal dependences of the physical quantities and observe the kinetic phenomena accompanying the formation of stable electron and ion distributions in phase space. The distribution function of trapped ions is obtained, and their contribution to the screening of the charged sphere is determined. The sphere charge and the charge of the trapped-ion cloud are determined as functions of the unperturbed plasma parameters.

High Temperature Superconductor Josephson Weak Links

NASA Technical Reports Server (NTRS)

Hunt, B. D.; Barner, J. B.; Foote, M. C.; Vasquez, R. C.

1993-01-01

High T_c edge-geometry SNS microbridges have been fabricated using ion-damaged YBa_2Cu_3O_(7-x) (YBCO) and a nonsuperconducting phase of YBCO (N-YBCO) as normal metals. Optimization of the ion milling process used for YBCO edge formation and cleaning has resulted in ion-damage barrier devices which exhibit I-V characteristics consistent with the Resistively-Shunted-Junction (RSJ) model, with typical current densities (J_c) of approximately 5 x 10^6 A/cm^2 at 4.2 K. Characterization of N-YBCO films suggests that N-YBCO is the orthorhombic YBCO phase with oxygen disorder suppressing T_c...

Some aspects of metallic ion chemistry and dynamics in the mesosphere and thermosphere

NASA Technical Reports Server (NTRS)

Mathews, J. D.

1987-01-01

The relationship between the formation of sporadic layers of metallic ion and the dumping of these ions into the upper mesosphere is discussed in terms of the tidal wind, classical (i.e., windshear) and other more complex, perhaps highly nonlinear layer formation mechanisms, and a possible circulation mechanism for these ions. Optical, incoherent scatter radar, rocket, and satellite derived evidence for various layer formation mechanisms and for the metallic ion circulation system is reviewed. The results of simple one dimensional numerical model calculations of sporadic E and intermediate layer formation are presented along with suggestions for more advanced models of intense or blanketing sporadic E. The flux of metallic ions dumped by the tidal wind system into the mesosphere is estimated and compared with estimates of total particle flux of meteoric origin. Possible effects of the metallic ion flux and of meteoric dust on D region ion chemistry are discussed.

Radiolysis of N2-rich astrophysical ice by swift oxygen ions: implication for space weathering of outer solar system bodies.

PubMed

Vasconcelos, F A; Pilling, S; Rocha, W R M; Rothard, H; Boduch, P

2017-09-13

In order to investigate the role of medium mass cosmic rays and energetic solar particles in the processing of N 2 -rich ice on frozen moons and cold objects in the outer solar system, the bombardment of an N 2  : H 2 O : NH 3  : CO 2 (98.2 : 1.5 : 0.2 : 0.1) ice mixture at 16 K employing 15.7 MeV 16 O 5+ was performed. The changes in the ice chemistry were monitored and quantified by Fourier transformed infrared spectroscopy (FTIR). The results indicate the formation of azide radicals (N 3 ), and nitrogen oxides, such as NO, NO 2 , and N 2 O, as well as the production of CO, HNCO, and OCN - . The effective formation and destruction cross-sections are roughly on the order of 10 -12 cm 2 and 10 -13 cm 2 , respectively. From laboratory molecular analyses, we estimated the destruction yields for the parent species and the formation yields for the daughter species. For N 2 , this value was 9.8 × 10 5 molecules per impact of ions, and for the most abundant new species (N 3 ), it was 1.1 × 10 5 molecules per impact of ions. From these yields, an estimation of how many species are destroyed or formed in a given timescale (10 8 years) in icy bodies in the outer solar system was calculated. This work reinforces the idea that such physicochemical processes triggered by cosmic rays, solar wind, and magnetospheric particles (medium-mass ions) in nitrogen-rich ices may play an important role in the formation of molecules (including pre-biotic species precursors such as amino acids and other "CHON" molecules) in very cold astrophysical environments, such as those in the outer region of the solar system (e.g. Titan, Triton, Pluto, and other KBOs).

Local formation of nitrogen-vacancy centers in diamond by swift heavy ions

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

Schwartz, J.; Aloni, S.; Ogletree, D. F.

2014-12-03

In this paper, we exposed nitrogen-implanted diamonds to beams of swift heavy ions (~1 GeV, ~4 MeV/u) and find that these irradiations lead directly to the formation of nitrogen vacancy (NV) centers, without thermal annealing. We compare the photoluminescence intensities of swift heavy ion activated NV - centers to those formed by irradiation with low-energy electrons and by thermal annealing. NV - yields from irradiations with swift heavy ions are 0.1 of yields from low energy electrons and 0.02 of yields from thermal annealing. We discuss possible mechanisms of NV center formation by swift heavy ions such as electronic excitationsmore » and thermal spikes. While forming NV centers with low efficiency, swift heavy ions could enable the formation of three dimensional NV - assemblies over relatively large distances of tens of micrometers. Finally and further, our results show that NV center formation is a local probe of (partial) lattice damage relaxation induced by electronic excitations from swift heavy ions in diamond.« less

The Ionic Building Blocks of Life: Exploring Astrochemistry through Mass Spectrometry

NASA Astrophysics Data System (ADS)

Cole, Callie A.

The first polyatomic molecule was discovered in interstellar space in 1968, catalyzing the growth of a new scientific field called astrochemistry. Since its inception, collaborations among laboratory chemists, astrophysical modelers, and observational astronomers in this field have led to the detection of nearly 200 molecules in the interstellar medium (ISM). Similarly, detections of complex biomolecules in cometary dust and meteorites have sparked theories of the origin of terrestrial life, a central focus of the recently-established field of astrobiology. Chemical processing occurs in a variety of environments within our galaxy. The purpose of this work is to explore the chemistry of ions and molecules that are pertinent to a multitude of these regions including nebulae, prestellar cores, and the atmosphere of Saturn's moon, Titan. This thesis presents mass spectrometric investigations of gas-phase ion chemistry that contribute to the fields of both astrochemistry and astrobiology. Many gas-phase chemical reactions are initiated by ions due to the attractive forces induced by their charge on a reacting partner. This attraction often lowers the barriers of ion-neutral reactions, and can lead to high reaction rates even at low temperatures. The ions examined herein increase in complexity starting with simple species (CN-) and concluding with larger biomolecules, the deprotonated nucleobases. This work begins with a series of Flowing Afterglow-Selected Ion Flow Tube (FA-SIFT) experiments exploring nitrogen-containing carbanion (C xNy-) chemistry and the formation of interstellar propene and methyl formate (Chapters 3 and 4). Reactions between CxN y- and H atoms reveal pathways for destruction of several CxN- and CxN2 - anions, but no reactions are observed for CxN3 - species. Two previously-proposed reactions between organic cations and H2 are shown to be immeasurably slow and unlikely to produce propene. Lastly, a reaction pathway producing protonated trans-methyl formate is experimentally and computationally verified. The later chapters describe studies of heterocyclic biomolecules performed using a modified ion trap apparatus. These ions include deprotonated azoles, pyrimidines, and purines (Chapters 5-7). In addition to their reactivity, the dissociation processes and fragments of these anions provide clues to potential precursors and abiotic syntheses. Notably, nearly all fragments observed are detected interstellar species.

Excimer laser annealing: A gold process for CZ silicon junction formation

NASA Technical Reports Server (NTRS)

Wong, David C.; Bottenberg, William R.; Byron, Stanley; Alexander, Paul

1987-01-01

A cold process using an excimer laser for junction formation in silicon has been evaluated as a way to avoid problems associated with thermal diffusion. Conventional thermal diffusion can cause bulk precipitation of SiOx and SiC or fail to completely activate the dopant, leaving a degenerate layer at the surface. Experiments were conducted to determine the feasibility of fabricating high quality p-n junctions using a pulsed excimer laser for junction formation at remelt temperature with ion-implanted surfaces. Solar-cell efficiency exceeding 16 percent was obtained using Czochralski single-crystal silicon without benefit of back surface field or surface passivation. Characterization shows that the formation of uniform, shallow junctions (approximately 0.25 micron) by excimer laser scanning preserves the minority carrier lifetime that leads to high current collection. However, the process is sensitive to initial surface conditions and handling parameters that drive the cost up.

Highly Manufacturable Deep (Sub-Millimeter) Etching Enabled High Aspect Ratio Complex Geometry Lego-Like Silicon Electronics.

PubMed

Ghoneim, Mohamed Tarek; Hussain, Muhammad Mustafa

2017-04-01

A highly manufacturable deep reactive ion etching based process involving a hybrid soft/hard mask process technology shows high aspect ratio complex geometry Lego-like silicon electronics formation enabling free-form (physically flexible, stretchable, and reconfigurable) electronic systems. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Graft polymerization of styryl bisphosphonate monomer onto polypropylene films for inhibition of biofilm formation.

PubMed

Steinmetz, Hanna P; Rudnick-Glick, Safra; Natan, Michal; Banin, Ehud; Margel, Shlomo

2016-11-01

There has been increased concern during the past few decades over the role bacterial biofilms play in causing a variety of health problems, especially since they exhibit a high degree of resistance to antibiotics and are able to survive in hostile environments. Biofilms consist of bacterial aggregates enveloped by a self-produced matrix attached to the surface. Ca(2+) ions promote the formation of biofilms, and enhance their stability, viscosity, and strength. Bisphosphonates exhibit a high affinity for Ca(2+) ions, and may inhibit the formation of biofilms by acting as sequestering agents for Ca(2+) ions. Although the antibacterial activity of bisphosphonates is well known, research into their anti-biofilm behavior is still in its early stages. In this study, we describe the synthesis of a new thin coating composed of poly(styryl bisphosphonate) grafted onto oxidized polypropylene films for anti-biofilm applications. This grafting process was performed by graft polymerization of styryl bisphosphonate vinylic monomer onto O2 plasma-treated polypropylene films. The surface modification of the polypropylene films was confirmed using surface measurements, including X-ray photoelectron spectroscopy, atomic force microscopy, and water contact angle goniometry. Significant inhibition of biofilm formation was achieved for both Gram-negative and Gram-positive bacteria. Copyright © 2016 Elsevier B.V. All rights reserved.

N and Cr ion implantation of natural ruby surfaces and their characterization

NASA Astrophysics Data System (ADS)

Rao, K. Sudheendra; Sahoo, Rakesh K.; Dash, Tapan; Magudapathy, P.; Panigrahi, B. K.; Nayak, B. B.; Mishra, B. K.

2016-04-01

Energetic ions of N and Cr were used to implant the surfaces of natural rubies (low aesthetic quality). Surface colours of the specimens were found to change after ion implantation. The samples without and with ion implantation were characterized by diffuse reflectance spectra in ultra violet and visible region (DRS-UV-Vis), field emission scanning electron microscopy (FESEM), selected area electron diffraction (SAED) and nano-indentation. While the Cr-ion implantation produced deep red surface colour (pigeon eye red) in polished raw sample (without heat treatment), the N-ion implantation produced a mixed tone of dark blue, greenish blue and violet surface colour in the heat treated sample. In the case of heat treated sample at 3 × 1017 N-ions/cm2 fluence, formation of colour centres (F+, F2, F2+ and F22+) by ion implantation process is attributed to explain the development of the modified surface colours. Certain degree of surface amorphization was observed to be associated with the above N-ion implantation.

Current-free double layers: A review

NASA Astrophysics Data System (ADS)

Singh, Nagendra

2011-12-01

During the last decade, there has been an upsurge in the research on current-free DLs (CFDLs). Research includes theory, laboratory measurements, and various applications of CFDLs ranging from plasma thrusters to acceleration of charged particles in space and astrophysical plasmas. The purpose of this review is to present a unified understanding of the basic plasma processes, which lead to the formation of CFDLs. The review starts with the discussion on early research on electric fields and double layers (DLs) and ion acceleration in planar plasma expansion. The review continues with the formation of DLs and rarefaction shocks (RFS) in expanding plasma with two electron populations with different temperatures. The basic theory mitigating the formation of a CFDL by two-electron temperature population is reviewed; we refer to such CFDLs as double layers structures formation by two-temperature electron populations (TET-CFDLs). Application of TET-CFDLS to ion acceleration in laboratory and space plasmas was discussed including the formation of stationary steady-state DLs. A quite different type of CFDLs forms in a helicon plasma device (HPD), in which plasma abruptly expands from a narrow plasma source tube into a wide diffusion tube with abruptly diverging magnetic fields. The formation mechanism of the CFDL in HPD, referred here as current free double layer structure in helicon plasma device (HPD-CFDL), and its applications are reviewed. The formation of a TET-CFDL is due to the self-consistent separation of the two electron populations parallel to the ambient magnetic field. In contrast, a HPD-CFDL forms due to self-consistent separation of electrons and ion perpendicular to the abruptly diverging magnetic field in conjunction with the conducting wall of the expansion chamber in the HPD. One-dimensional theoretical models of CFDLs based on steady-state solution of Vlasov-Poisson system of equations are briefly discussed. Applications of CFDLs ranging from helicon double-layer thrusters (HDLTs) to the accelerations of ions in space and astrophysical plasmas are summarized.

Mechanism of the entire overdischarge process and overdischarge-induced internal short circuit in lithium-ion batteries.

PubMed

Guo, Rui; Lu, Languang; Ouyang, Minggao; Feng, Xuning

2016-07-22

Lithium-ion batteries connected in series are prone to be overdischarged. Overdischarge results in various side effects, such as capacity degradation and internal short circuit (ISCr). However, most of previous research on the overdischarge of a cell was terminated when the cell voltage dropped to 0 V, leaving the further impacts of overdischarge unclear. This paper investigates the entire overdischarge process of large-format lithium-ion batteries by discharging the cell to -100% state of charge (SOC). A significant voltage platform is observed at approximately -12% SOC, and ISCr is detected after the cell is overdischarged when passing the platform. The scanning electron microscopy (SEM) and X-ray diffraction (XRD) results indicate that the overdischarge-induced ISCr is caused by Cu deposition on electrodes, suggesting possible Cu collector dissolution at the voltage platform near -12% SOC. A prognostic/mechanistic model considering ISCr is used to evaluate the resistance of ISCr (RISCr), the value of which decreases sharply at the beginning of ISCr formation. Inducing the ISCr by overdischarge is effective and well controlled without any mechanical deformation or the use of a foreign substance.

Liquid phase epitaxy of binary III–V nanocrystals in thin Si layers triggered by ion implantation and flash lamp annealing

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

Wutzler, Rene, E-mail: r.wutzler@hzdr.de; Rebohle, Lars; Prucnal, Slawomir

2015-05-07

The integration of III–V compound semiconductors in Si is a crucial step towards faster and smaller devices in future technologies. In this work, we investigate the formation process of III–V compound semiconductor nanocrystals, namely, GaAs, GaSb, and InP, by ion implantation and sub-second flash lamp annealing in a SiO{sub 2}/Si/SiO{sub 2} layer stack on Si grown by plasma-enhanced chemical vapor deposition. Raman spectroscopy, Rutherford Backscattering spectrometry, and transmission electron microscopy were performed to identify the structural and optical properties of these structures. Raman spectra of the nanocomposites show typical phonon modes of the compound semiconductors. The formation process of themore » III–V compounds is found to be based on liquid phase epitaxy, and the model is extended to the case of an amorphous matrix without an epitaxial template from a Si substrate. It is shown that the particular segregation and diffusion coefficients of the implanted group-III and group-V ions in molten Si significantly determine the final appearance of the nanostructure and thus their suitability for potential applications.« less

Mechanism of the entire overdischarge process and overdischarge-induced internal short circuit in lithium-ion batteries

NASA Astrophysics Data System (ADS)

Guo, Rui; Lu, Languang; Ouyang, Minggao; Feng, Xuning

2016-07-01

Lithium-ion batteries connected in series are prone to be overdischarged. Overdischarge results in various side effects, such as capacity degradation and internal short circuit (ISCr). However, most of previous research on the overdischarge of a cell was terminated when the cell voltage dropped to 0 V, leaving the further impacts of overdischarge unclear. This paper investigates the entire overdischarge process of large-format lithium-ion batteries by discharging the cell to -100% state of charge (SOC). A significant voltage platform is observed at approximately -12% SOC, and ISCr is detected after the cell is overdischarged when passing the platform. The scanning electron microscopy (SEM) and X-ray diffraction (XRD) results indicate that the overdischarge-induced ISCr is caused by Cu deposition on electrodes, suggesting possible Cu collector dissolution at the voltage platform near -12% SOC. A prognostic/mechanistic model considering ISCr is used to evaluate the resistance of ISCr (RISCr), the value of which decreases sharply at the beginning of ISCr formation. Inducing the ISCr by overdischarge is effective and well controlled without any mechanical deformation or the use of a foreign substance.

Complexation of lanthanides and actinides by acetohydroxamic acid

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

Taylor, R.J.; Sinkov, S.I.; Choppin, G.R.

2008-07-01

Acetohydroxamic acid (AHA) has been proposed as a suitable reagent for the complexant-based, as opposed to reductive, stripping of plutonium and neptunium ions from the tributylphosphate solvent phase in advanced PUREX or UREX processes designed for future nuclear-fuel reprocessing. Stripping is achieved by the formation of strong hydrophilic complexes with the tetravalent actinides in nitric acid solutions. To underpin such applications, knowledge of the complexation constants of AHA with all relevant actinide (5f) and lanthanide (4f) ions is therefore important. This paper reports the determination of stability constants of AHA with the heavier lanthanide ions (Dy-Yb) and also U(IV) andmore » Th(IV) ions. Comparisons with our previously published AHA stability-constant data for 4f and 5f ions are made. (authors)« less

Transport of secondary electrons and reactive species in ion tracks

NASA Astrophysics Data System (ADS)

Surdutovich, Eugene; Solov'yov, Andrey V.

2015-08-01

The transport of reactive species brought about by ions traversing tissue-like medium is analysed analytically. Secondary electrons ejected by ions are capable of ionizing other molecules; the transport of these generations of electrons is studied using the random walk approximation until these electrons remain ballistic. Then, the distribution of solvated electrons produced as a result of interaction of low-energy electrons with water molecules is obtained. The radial distribution of energy loss by ions and secondary electrons to the medium yields the initial radial dose distribution, which can be used as initial conditions for the predicted shock waves. The formation, diffusion, and chemical evolution of hydroxyl radicals in liquid water are studied as well. COST Action Nano-IBCT: Nano-scale Processes Behind Ion-Beam Cancer Therapy.

Two-stage synergy of electronic energy loss with defects in LiTaO 3 under ion irradiation

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

Sellami, Neila; Crespillo, Miguel L.; Zhang, Yanwen

Understanding energy dissipation in electronic and atomic subsystems and subsequent defect evolution is a scientific challenge. Separate and combined effects of electronic and nuclear energy deposition in z-cut LiTaO 3 have been investigated. Irradiation of pristine LiTaO 3 samples with 2 MeV Ta ions leads to amorphization due to atomic displacement damage, described by a disorder accumulation model. Here, while 21 MeV Si ions do not produce significant damage in pristine LiTaO 3, introduction of pre-existing defects sensitizes LiTaO 3 to the formation of ion tracks from the electronic energy loss by 21 MeV Si ions that induce a synergisticmore » two-stage phase transition process.« less

Survey of ion plating sources. [conferences

NASA Technical Reports Server (NTRS)

Spalvins, T.

1979-01-01

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

Two-stage synergy of electronic energy loss with defects in LiTaO 3 under ion irradiation

DOE PAGES

Sellami, Neila; Crespillo, Miguel L.; Zhang, Yanwen; ...

2018-03-27

Understanding energy dissipation in electronic and atomic subsystems and subsequent defect evolution is a scientific challenge. Separate and combined effects of electronic and nuclear energy deposition in z-cut LiTaO 3 have been investigated. Irradiation of pristine LiTaO 3 samples with 2 MeV Ta ions leads to amorphization due to atomic displacement damage, described by a disorder accumulation model. Here, while 21 MeV Si ions do not produce significant damage in pristine LiTaO 3, introduction of pre-existing defects sensitizes LiTaO 3 to the formation of ion tracks from the electronic energy loss by 21 MeV Si ions that induce a synergisticmore » two-stage phase transition process.« less

Making AlN(x) Tunnel Barriers Using a Low-Energy Nitrogen-Ion Beam

NASA Technical Reports Server (NTRS)

Kaul, Anupama; Kleinsasser, Alan; Bumble, Bruce; LeDuc, Henry; Lee, Karen

2005-01-01

A technique based on accelerating positive nitrogen ions onto an aluminum layer has been demonstrated to be effective in forming thin (<2 nm thick) layers of aluminum nitride (AlN(x)) for use as tunnel barriers in Nb/Al-AlN(x)/Nb superconductor/insulator/ superconductor (SIS) Josephson junctions. AlN(x) is the present material of choice for tunnel barriers because, to a degree greater than that of any other suitable material, it offers the required combination of low leakage current at high current density and greater thermal stability. While ultra-thin AlN films with good thickness and stoichiometry control are easily formed using techniques such as reactive molecular beam epitaxy and chemical vapor deposition, growth temperatures of 900 C are necessary for the dissociative adsorption of nitrogen from either nitrogen (N2) or ammonia (NH3). These growth temperatures are prohibitively high for the formation of tunnel barriers on Nb films because interfacial reactions at temperatures as low as 200 to 300 C degrade device properties. Heretofore, deposition by reactive sputtering and nitridation of thin Al layers with DC and RF nitrogen plasmas have been successfully used to form AlN barriers in SIS junctions. However, precise control over critical current density Jc has proven to be a challenge, as is attaining adequate process reproducibility from system to system. The present ion-beam technique is an alternative to the plasma or reactive sputtering techniques as it provides a highly controlled arrival of reactive species, independent of the electrical conditions of the substrate or vacuum chamber. Independent and accurate control of parameters such as ion energy, flux, species, and direction promises more precise control of film characteristics such as stoichiometry and thickness than is the case with typical plasma processes. In particular, the background pressure during ion-beam nitride growth is 2 or 3 orders of magnitude lower, minimizing the formation of compounds with contaminants, which is critical in devices the performance of which is dictated by interfacial characteristics. In addition, the flux of incoming species can be measured in situ using ion probes so that the dose can be controlled accurately. The apparatus used in the present ion-beam technique includes a vacuum chamber containing a commercial collimated- ion-beam source, a supply of nitrogen and argon, and an ion probe for measuring the ion dose. Either argon or nitrogen can be used as the feed gases for the ion source, depending on whether cleaning of the substrate or growth of the nitride, respectively, is desired. Once the Nb base electrode and Al proximity layer have been deposited, the N2 gas line to the ion beam is vented and purged, and the ion-source is turned on until a stable discharge is obtained. The substrate is moved over the ion-beam source to expose the Al surface layer to the ion beam (see figure) for a specified duration for the formation of the nitride tunnel barrier. Next, the Nb counter-electrode layer is deposited on the nitride surface layer. The Nb/Al- AlN(x)/Nb-trilayer-covered substrate is then patterned into individual devices by use of conventional integrated-circuit processing techniques.

Bacterially Induced Dolomite Formation in the Presence of Sulfate Ions under Aerobic Conditions

NASA Astrophysics Data System (ADS)

Sanchez-Roman, M.; McKenzie, J. A.; Vasconcelos, C.; Rivadeneyra, M.

2005-12-01

The origin of dolomite remains a long-standing enigma in sedimentary geology because, although thermodynamically favorable, precipitation of dolomite from modern seawater does not occur. Experiments conducted at elevated temperatures (200 oC) indicated that the presence of small concentrations of sulfate ions inhibits the transformation of calcite to dolomite [1]. Indeed, sulfate ions appeared to inhibit dolomite formation above 2 mM concentration (versus 28 mM in modern seawater). Recently, culture experiments have demonstrated that sulfate-reducing bacteria mediate the precipitation of dolomite at Earth surface conditions in the presence of sustained sulfate ion concentrations [2,3]. Additionally, in a number of modern hypersaline environments, dolomite forms from solutions with high sulfate ion concentrations (2 to 70 times seawater). These observations suggest that the experimentally observed sulfate-ion inhibition [1] may not apply to all ancient dolomite formation. Here, we report aerobic culture experiments conducted at low temperatures (25 and 35 oC) and variable sulfate ion concentrations (0, 0.5, 1 and 2 x seawater values) using moderately halophilic bacteria, Halomonas meridiana. After an incubation period of 15 days, experiments at 35 oC with variable sulfate ion concentrations (0, 0.5 x and seawater values) contained crystals of Ca-dolomite and stochiometric dolomite. The experiment at 35 oC with 2 x seawater sulfate ion concentration produced dolomite crystals after 20 days of incubation. In a parallel set of experiments at 25 oC, precipitation of dolomite was observed after 25 days of incubation in cultures with variable sulfate ion concentrations (0, 0.5 x and seawater values). In the culture with 2 x seawater sulfate ion concentration, dolomite crystals were observed after 30 days. Our study demonstrates that halophilic bacteria (or heterotrophic microorganisms), which do not require sulfate ions for metabolism, can mediate dolomite precipitation in the presence of sulfate ions. Apparently, microbial dolomite precipitation is not intrinsically linked to any particular group of organisms or specific metabolic processes or even specific environment. Furthermore, because heterotrophic microorganisms appear to be able to mediate microbial dolomite precipitation with or without sulfate ions in the media, our results indicate that the kinetic inhibition effect of sulfate ions can be overcome under specific sedimentary conditions. The present study adds a new insight to the dolomite problem, which could lead to a better clarification of the mechanism(s) involved in the massive dolomite formation observed in the geological record. References: [1] Baker, P.A., and Kastner, M., (1981), Science, 213, 214-216. [2] Vasconcelos, C., McKenzie, J.A., Bernasconi, S., Grujic, D. and Tien, A.J., (1995), Nature 377, 220-222.. [3] Warthmann R., van Lith Y., Vasconcelos C., McKenzie J.A. and Karpoff A.M., (2000), Geology 28, 1091-1094.

Supramolecular structures on silica surfaces and their adsorptive properties.

PubMed

Belyakov, Vladimir N; Belyakova, Lyudmila A; Varvarin, Anatoly M; Khora, Olexandra V; Vasilyuk, Sergei L; Kazdobin, Konstantin A; Maltseva, Tetyana V; Kotvitskyy, Alexey G; Danil de Namor, Angela F

2005-05-01

The study of adsorptive and chemical immobilization of beta-cyclodextrin on a surface of hydroxylated silicas with various porous structure is described. Using IR spectroscopy, thermal gravimetrical analysis with a programmed heating, and chemical analysis of the silica surface, it is shown that the process of adsorption-desorption of beta-cyclodextrin depends on the porous structure of the silica. The reaction of esterification was used for chemical grafting of beta-cyclodextrin on the surface of hydroxylated silicas. Hydrolytic stability of silicas chemically modified by beta-cyclodextrin apparently is explained by simultaneous formation of chemical and hydrogen bonds between surface silanol groups and hydroxyl groups of beta-cyclodextrin. The uptake of the cations Cu(II), Cd(II), and Pb(II) and the anions Cr(VI) and As(V) by silicas modified with beta-cyclodextrin is investigated as a function of equilibrium ion concentrations. The increase of ion uptake and selectivity of ion extraction in comparison with starting silicas is established. It is due to the formation of surface inclusion complexes of the "host-guest" type in which one molecule of beta-cyclodextrin interacts simultaneously with several ions.

Characteristics of Lithium Ions and Superoxide Anions in EMI-TFSI and Dimethyl Sulfoxide.

PubMed

Jung, Sun-ho; Federici Canova, Filippo; Akagi, Kazuto

2016-01-28

To clarify the microscopic effects of solvents on the formation of the Li(+)-O2(–) process of a Li–O2 battery, we studied the kinetics and thermodynamics of these ions in dimethyl sulfoxide (DMSO) and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (EMI-TFSI) using classical molecular dynamics simulation. The force field for ions–solvents interactions was parametrized by force matching first-principles calculations. Despite the solvation energies of the ions are similar in both solvents, their mobility is much higher in DMSO. The free-energy profiles also confirm that the formation and decomposition rates of Li(+)-O2(–) pairs are greater in DMSO than in EMI-TFSI. Our atomistic simulations point out that the strong structuring of EMI-TFSI around the ions is responsible for these differences, and it explains why the LiO2 clusters formed in DMSO during the battery discharge are larger than those in EMI-TFSI. Understanding the origin of such properties is crucial to aid the optimization of electrolytes for Li–O2 batteries.

Covalent modifications of the amyloid beta peptide by hydroxynonenal: Effects on metal ion binding by monomers and insights into the fibril topology.

PubMed

Grasso, G; Komatsu, H; Axelsen, P H

2017-09-01

Amyloid β peptides (Aβ) and metal ions are associated with oxidative stress in Alzheimer's disease (AD). Oxidative stress, acting on ω-6 polyunsaturated fatty acyl chains, produces diverse products, including 4-hydroxy-2-nonenal (HNE), which can covalently modify the Aβ that helped to produce it. To examine possible feedback mechanisms involving Aβ, metal ions and HNE production, the effects of HNE modification and fibril formation on metal ion binding was investigated. Results indicate that copper(II) generally inhibits the modification of His side chains in Aβ by HNE, but that once modified, copper(II) still binds to Aβ with high affinity. Fibril formation protects only one of the three His residues in Aβ from HNE modification, and this protection is consistent with proposed models of fibril structure. These results provide insight into a network of biochemical reactions that may be operating as a consequence of oxidative stress in AD, or as part of the pathogenic process. Copyright © 2016. Published by Elsevier Inc.

Synthesis of Prebiotic Caramels Catalyzed by Ion-Exchange Resin Particles: Kinetic Model for the Formation of Di-d-fructose Dianhydrides.

PubMed

Ortiz Cerda, Imelda-Elizabeth; Thammavong, Phahath; Caqueret, Vincent; Porte, Catherine; Mabille, Isabelle; Garcia Fernandez, José Manuel; Moscosa Santillan, Mario; Havet, Jean-Louis

2018-02-21

Caramel enriched in di-d-fructose dianhydrides (DFAs, a family of prebiotic cyclic fructodisaccharides) is a functional food with beneficial properties for health. The aim of this work was to study the conversion of fructose into DFAs catalyzed by acid ion-exchange resin, in order to establish a simplified mechanism of the caramelization reaction and a kinetic model for DFA formation. Batch reactor experiments were carried out in a 250 mL spherical glass flask and afforded up to 50% DFA yields. The mechanism proposed entails order 2 reactions that describe fructose conversion on DFAs or formation of byproducts such as HMF or melanoidines. A third order 1 reaction defines DFA transformation into fructosyl-DFAs or fructo-oligosaccharides. The influence of fructose concentration, resin loading and temperature was studied to calculate the kinetic parameters necessary to scale up the process.

Fission and quasifission of composite systems with Z =108 -120 : Transition from heavy-ion reactions involving S and Ca to Ti and Ni ions

NASA Astrophysics Data System (ADS)

Kozulin, E. M.; Knyazheva, G. N.; Novikov, K. V.; Itkis, I. M.; Itkis, M. G.; Dmitriev, S. N.; Oganessian, Yu. Ts.; Bogachev, A. A.; Kozulina, N. I.; Harca, I.; Trzaska, W. H.; Ghosh, T. K.

2016-11-01

Background: Suppression of compound nucleus formation in the reactions with heavy ions by a quasifission process in dependence on the reaction entrance channel. Purpose: Investigation of fission and quasifission processes in the reactions 36S,48Ca,48Ti , and 64Ni+238U at energies around the Coulomb barrier. Methods: Mass-energy distributions of fissionlike fragments formed in the reaction 48Ti+238U at energies of 247, 258, and 271 MeV have been measured using the double-arm time-of-flight spectrometer CORSET at the U400 cyclotron of the Flerov Laboratory of Nuclear Reactions and compared with mass-energy distributions for the reactions 36S,48Ca,64Ni+238U . Results: The most probable fragment masses as well as total kinetic energies and their dispersions in dependence on the interaction energies have been investigated for asymmetric and symmetric fragments for the studied reactions. The fusion probabilities have been deduced from the analysis of mass-energy distributions. Conclusion: The estimated fusion probability for the reactions S, Ca, Ti, and Ni ions with actinide nuclei shows that it depends exponentially on the mean fissility parameter of the system. For the reactions with actinide nuclei leading to the formation of superheavy elements the fusion probabilities are of several orders of magnitude higher than in the case of cold fusion reactions.

Thermodynamics and kinetics of Na+/K+-formate ion pairs association in polarizable water: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Nguyen, Phuong T. M.; Nguyen, Van T.; Annapureddy, Harsha V. R.; Dang, Liem X.; Do, D. D.

2012-12-01

To enhance our understanding of ion specific activity in biological systems, the potential of mean force approach was utilized to study solvent effects on the interactions between two alkali cations (Na+ and K+) with a formate anion in water. A very complex free energy landscape was observed, much more so than alkali-halide ion pairs. Furthermore, a stronger binding between the Na+-formate pair was found in comparison to the K+-formate pair in water, which is in agreement with experimental and theoretical studies [1-4]. The kinetics of ion-pair inter-conversions was studied using the transition rate theory, along with a number of theoretical approaches such as the Kramers and Grote-Hynes theories. These kinetic results were used to predict solvent effects on dynamical features of ion-pair association, in which we have found that the dynamics of K+-formate pairs is faster than Na+-formate pairs.

Metal impurity-assisted formation of nanocone arrays on Si by low energy ion-beam irradiation

NASA Astrophysics Data System (ADS)

Steeves Lloyd, Kayla; Bolotin, Igor L.; Schmeling, Martina; Hanley, Luke; Veryovkin, Igor V.

2016-10-01

Fabrication of nanocone arrays on Si surfaces was demonstrated using grazing incidence irradiation with 1 keV Ar+ ions concurrently sputtering the surface and depositing metal impurity atoms on it. Among three materials compared as co-sputtering targets Si, Cu and stainless steel, only steel was found to assist the growth of dense arrays of nanocones at ion fluences between 1018 and 1019 ions/cm2. The structural characterization of samples irradiated with these ion fluences using Scanning Electron Microscopy and Atomic Force Microscopy revealed that regions far away from co-sputtering targets are covered with nanoripples, and that nanocones popped-up out of the rippled surfaces when moving closer to co-sputtering targets, with their density gradually increasing and reaching saturation in the regions close to these targets. The characterization of the samples' chemical composition with Total Reflection X-ray Fluorescence Spectrometry and X-ray Photoelectron Spectroscopy revealed that the concentration of metal impurities originating from stainless steel (Fe, Cr and Ni) was relatively high in the regions with high density of nanocones (Fe reaching a few atomic percent) and much lower (factor of 10 or so) in the region of nanoripples. Total Reflection X-ray Fluorescence Spectrometry measurements showed that higher concentrations of these impurities are accumulated under the surface in both regions. X-ray Photoelectron Spectroscopy experiments showed no direct evidence of metal silicide formation occurring on one region only (nanocones or nanoripples) and thus showed that this process could not be the driver of nanocone array formation. Also, these measurements indicated enhancement in oxide formation on regions covered by nanocones. Overall, the results of this study suggest that the difference in concentration of metal impurities in the thin near-surface layer forming under ion irradiation might be responsible for the differences in surface structures.

Origin of CH+ in diffuse molecular clouds. Warm H2 and ion-neutral drift

NASA Astrophysics Data System (ADS)

Valdivia, Valeska; Godard, Benjamin; Hennebelle, Patrick; Gerin, Maryvonne; Lesaffre, Pierre; Le Bourlot, Jacques

2017-04-01

Context. Molecular clouds are known to be magnetised and to display a turbulent and complex structure where warm and cold phases are interwoven. The turbulent motions within molecular clouds transport molecules, and the presence of magnetic fields induces a relative velocity between neutrals and ions known as the ion-neutral drift (vd). These effects all together can influence the chemical evolution of the clouds. Aims: This paper assesses the roles of two physical phenomena which have previously been invoked to boost the production of CH+ under realistic physical conditions: the presence of warm H2 and the increased formation rate due to the ion-neutral drift. Methods: We performed ideal magnetohydrodynamical (MHD) simulations that include the heating and cooling of the multiphase interstellar medium (ISM), and where we treat dynamically the formation of the H2 molecule. In a post-processing step we compute the abundances of species at chemical equilibrium using a solver that we developed. The solver uses the physical conditions of the gas as input parameters, and can also prescribe the H2 fraction if needed. We validate our approach by showing that the H2 molecule generally has a much longer chemical evolution timescale compared to the other species. Results: We show that CH+ is efficiently formed at the edge of clumps, in regions where the H2 fraction is low (0.3-30%) but nevertheless higher than its equilibrium value, and where the gas temperature is high (≳ 300 K). We show that warm and out of equilibrium H2 increases the integrated column densities of CH+ by one order of magnitude up to values still 3-10 times lower than those observed in the diffuse ISM. We balance the Lorentz force with the ion-neutral drag to estimate the ion-drift velocities from our ideal MHD simulations. We find that the ion-neutral drift velocity distribution peaks around 0.04 km s-1, and that high drift velocities are too rare to have a significant statistical impact on the abundances of CH+. Compared to previous works, our multiphase simulations reduce the spread in vd, and our self-consistent treatment of the ionisation leads to much reduced vd. Nevertheless, our resolution study shows that this velocity distribution is not converged: the ion-neutral drift has a higher impact on CH+ at higher resolution. On the other hand, our ideal MHD simulations do not include ambipolar diffusion, which would yield lower drift velocities. Conclusions: Within these limitations, we conclude that warm H2 is a key ingredient in the efficient formation of CH+ and that the ambipolar diffusion has very little influence on the abundance of CH+, mainly due to the small drift velocities obtained. However, we point out that small-scale processes and other non-thermal processes not included in our MHD simulation may be of crucial importance, and higher resolution studies with better controlled dissipation processes are needed.

Properties of Minor Ions in the Solar Wind and Implications for the Background Solar Wind Plasma

NASA Technical Reports Server (NTRS)

Esser, Ruth; Wagner, William (Technical Monitor)

2003-01-01

Ion charge states measured in situ in interplanetary space are formed in the inner coronal regions below 5 solar radii, hence they carry information on the properties of the solar wind plasma in that region. The plasma parameters that are important in the ion forming processes are the electron density, the electron temperature and the flow speeds of the individual ion species. In addition, if the electron distribution function deviates from a Maxwellian already in the inner corona, then the enhanced tail of that distribution function, also called halo, greatly effects the ion composition. The goal of the proposal is to make use of ion fractions observed in situ in the solar wind to learn about both, the plasma conditions in the inner corona and the expansion and ion formation itself. This study is carried out using solar wind models, coronal observations, and ion fraction calculations in conjunction with the in situ observations.

Characteristics of water-soluble ions before, during and after fog events

NASA Astrophysics Data System (ADS)

Li, P.; Du, H.; Yang, C.; Yao, J.; Du, J.; Chen, J.

2010-07-01

Two atmospheric processes of rain-fog-haze and haze-fog-rain were observed on Feb.8th and Mar. 14th, 2010 in urban Shanghai. On-line characterization of water-soluble ions of aerosol was performed before, during and after two fog episodes by an instrument of Monitoring AeRosoles and GAses (MARGA). Fog water samples were also collected to study the chemical ion characteristics for identifying the property of fogs. After rain, total water-soluble ion concentration in PM2.5 increased by 71.9%. Afterwards, a fog formation was observed as a frontal fog. Six fog water samples were collected to measure concentration of water-soluble ions, whose total concentrations decreased from beginning to end of fog. At the end of fog, the total water-soluble ion concentration of aerosol was continually increased. Meanwhile with a sharp decline of RH down to 70% in two hours, and a haze episode was observed. The reverse process, haze-fog-rain process, was also investigated. After the haze episode, total water-soluble ions concentration of aerosol rarely increased, but fog appeared with sharp increase of RH. Concentration of water-soluble ions in the fog water sample was higher than mean concentration of samples in 2009. When the fog started to disperse, the ion concentration hardly changed. As water vapor continued to increase, rain was observed. The inorganic compositions of aerosol in both fog events were dominated by sulfate and ammonium. The in situ investigation clearly illustrated that fog water mainly influenced by continental sources was dirtier and contained more sediment comparing with fog water influenced by marine sources.

In-Situ atomic force microscopic observation of ion beam bombarded plant cell envelopes

NASA Astrophysics Data System (ADS)

Sangyuenyongpipat, S.; Yu, L. D.; Brown, I. G.; Seprom, C.; Vilaithong, T.

2007-04-01

A program in ion beam bioengineering has been established at Chiang Mai University (CMU), Thailand, and ion beam induced transfer of plasmid DNA molecules into bacterial cells (Escherichia coli) has been demonstrated. However, a good understanding of the fundamental physical processes involved is lacking. In parallel work, onion skin cells have been bombarded with Ar+ ions at energy 25 keV and fluence1-2 × 1015 ions/cm2, revealing the formation of microcrater-like structures on the cell wall that could serve as channels for the transfer of large macromolecules into the cell interior. An in-situ atomic force microscope (AFM) system has been designed and installed in the CMU bio-implantation facility as a tool for the observation of these microcraters during ion beam bombardment. Here we describe some of the features of the in-situ AFM and outline some of the related work.

Systematization of the mass spectra for speciation of inorganic salts with static secondary ion mass spectrometry.

PubMed

Van Ham, Rita; Van Vaeck, Luc; Adams, Freddy C; Adriaens, Annemie

2004-05-01

The analytical use of mass spectra from static secondary ion mass spectrometry for the molecular identification of inorganic analytes in real life surface layers and microobjects requires an empirical insight in the signals to be expected from a given compound. A comprehensive database comprising over 50 salts has been assembled to complement prior data on oxides. The present study allows the systematic trends in the relationship between the detected signals and molecular composition of the analyte to be delineated. The mass spectra provide diagnostic information by means of atomic ions, structural fragments, molecular ions, and adduct ions of the analyte neutrals. The prediction of mass spectra from a given analyte must account for the charge state of the ions in the salt, the formation of oxide-type neutrals from oxy salts, and the occurrence of oxidation-reduction processes.

Ion guiding accompanied by formation of neutrals in polyethylene terephthalate polymer nanocapillaries: Further insight into a self-organizing process

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

Juhasz, Z.; Sulik, B.; Racz, R.

2010-12-15

A relatively large yield of neutralized atoms was observed when 3 keV Ar{sup 7+} ions were guided trough polyethylene terephthalate nanocapillaries. Time and deposited-charge dependence of the angular distribution of both the guided ions and the neutrals was measured simultaneously using a two-dimensional multichannel plate detector. The yield of neutrals increased significantly faster than that of guided ions and saturated typically at a few percent level. In accordance with earlier observations, both the yield and the mean emission angle of the guided ions exhibited strong oscillations. For the atoms, the equilibrium was achieved not only faster, but also without significantmore » oscillations in yield and angular position. A phase analysis of these time dependencies provides insight into the dynamic features of the self-organizing mechanisms, which leads to ion guiding in insulating nanocapillaries.« less

Premicellar and micelle formation behavior of dye surfactant ion pairs in aqueous solutions: deprotonation of dye in ion pair micelles.

PubMed

Gohain, Biren; Dutta, Robin K

2008-07-15

The premicellar and micelle formation behavior of dye surfactant ion pairs in aqueous solutions monitored by surface tension and spectroscopic measurements has been described. The measurements have been made for three anionic sulfonephthalein dyes and cationic surfactants of different chain lengths, head groups, and counterions. The observations have been attributed to the formation of closely packed dye surfactant ion pairs which is similar to nonionic surfactants in very dilute concentrations of the surfactant. These ion pairs dominate in the monolayer at the air-water interface of the aqueous dye surfactant solutions below the CMC of the pure surfactant. It has been shown that the dye in the ion pair deprotonates on micelle formation by the ion pair surfactants at near CMC but submicellar surfactant concentrations. The results of an equilibrium study at varying pH agree with the model of deprotonated 1:1 dye-surfactant ion pair formation in the near CMC submicellar solutions. At concentrations above the CMC of the cationic surfactant the dye is solubilized in normal micelles and the monolayer at the air-water interface consists of the cationic surfactant alone even in the presence of the dyes.

Swift heavy ion-beam induced amorphization and recrystallization of yttrium iron garnet.

PubMed

Costantini, Jean-Marc; Miro, Sandrine; Beuneu, François; Toulemonde, Marcel

2015-12-16

Pure and (Ca and Si)-substituted yttrium iron garnet (Y3Fe5O12 or YIG) epitaxial layers and amorphous films on gadolinium gallium garnet (Gd3Ga5O12, or GGG) single crystal substrates were irradiated by 50 MeV (32)Si and 50 MeV (or 60 MeV) (63)Cu ions for electronic stopping powers larger than the threshold value (~4 MeV μm(-1)) for amorphous track formation in YIG crystals. Conductivity data of crystalline samples in a broad ion fluence range (10(11)-10(16) cm(-2)) are modeled with a set of rate equations corresponding to the amorphization and recrystallization induced in ion tracks by electronic excitations. The data for amorphous layers confirm that a recrystallization process takes place above ~10(14) cm(-2). Cross sections for both processes deduced from this analysis are discussed in comparison to previous determinations with reference to the inelastic thermal-spike model of track formation. Micro-Raman spectroscopy was also used to follow the related structural modifications. Raman spectra show the progressive vanishing and randomization of crystal phonon modes in relation to the ion-induced damage. For crystalline samples irradiated at high fluences (⩾10(14) cm(-2)), only two prominent broad bands remain like for amorphous films, thereby reflecting the phonon density of states of the disordered solid, regardless of samples and irradiation conditions. The main band peaked at ~660 cm(-1) is assigned to vibration modes of randomized bonds in tetrahedral (FeO4) units.

Local formation of nitrogen-vacancy centers in diamond by swift heavy ions

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

Schwartz, J.; Ilmenau University of Technology, Department of Microelectronics and Nanoelectric Systems, 98684 Ilmenau; Aloni, S.

2014-12-07

We exposed nitrogen-implanted diamonds to beams of swift heavy ions (∼1 GeV, ∼4 MeV/u) and find that these irradiations lead directly to the formation of nitrogen vacancy (NV) centers, without thermal annealing. We compare the photoluminescence intensities of swift heavy ion activated NV{sup −} centers to those formed by irradiation with low-energy electrons and by thermal annealing. NV{sup −} yields from irradiations with swift heavy ions are 0.1 of yields from low energy electrons and 0.02 of yields from thermal annealing. We discuss possible mechanisms of NV center formation by swift heavy ions such as electronic excitations and thermal spikes. While formingmore » NV centers with low efficiency, swift heavy ions could enable the formation of three dimensional NV{sup −} assemblies over relatively large distances of tens of micrometers. Further, our results show that NV center formation is a local probe of (partial) lattice damage relaxation induced by electronic excitations from swift heavy ions in diamond.« less

[Advances in the research of function of Merkel cells in tactile formation of skin].

PubMed

You, X; Wei, Z R

2018-01-20

Skin is the largest sense organ of human, with many mechanoreceptor cells under epidermis or dermis of skin and Merkel cell is one of them. It has been confirmed that Merkel cells play an important role in the process of mechanical transmission of mammalian soft tactile stimulation. Researches showed that Merkel cells had close relation to tactile formation and functioned by Merkel cell-neurite complexes and ion channels Piezo2. This article reviews Merkel cells and the function, problem and prospect of Merkel cells in tactile formation.

Role of carbon impurities on the surface morphology evolution of tungsten under high dose helium ion irradiation

NASA Astrophysics Data System (ADS)

Al-Ajlony, A.; Tripathi, J. K.; Hassanein, A.

2015-11-01

The effect of carbon impurities on the surface evolution (e.g., fuzz formation) of tungsten (W) surface during 300 eV He ions irradiation was studied. Several tungsten samples were irradiated by He ion beam with a various carbon ions percentage. The presence of minute carbon contamination within the He ion beam was found to be effective in preventing the fuzz formation. At higher carbon concentration, the W surface was found to be fully covered with a thick graphitic layer on the top of tungsten carbide (WC) layer that cover the sample surface. Lowering the ion beam carbon percentage was effective in a significant reduction in the thickness of the surface graphite layer. Under these conditions the W surface was also found to be immune for the fuzz formation. The effect of W fuzz prevention by the WC formation on the sample surface was more noticeable when the He ion beam had much lower carbon (C) ions content (0.01% C). In this case, the fuzz formation was prevented on the vast majority of the W sample surface, while W fuzz was found in limited and isolated areas. The W surface also shows good resistance to morphology evolution when bombarded by high flux of pure H ions at 900 °C.

Silk-regulated hierarchical hollow magnetite/carbon nanocomposite spheroids for lithium-ion battery anodes.

PubMed

Sheng, Weiqin; Zhu, Guobin; Kaplan, David L; Cao, Chuanbao; Zhu, Hesun; Lu, Qiang

2015-03-20

Hierarchical olive-like structured carbon-Fe3O4 nanocomposite particles composed of a hollow interior and a carbon coated surface are prepared by a facile, silk protein-assisted hydrothermal method. Silk nanofibers as templates and carbon precursors first regulate the formation of hollow Fe2O3 microspheres and then they are converted into carbon by a reduction process into Fe3O4. This process significantly simplifies the fabrication and carbon coating processes to form complex hollow structures. When tested as anode materials for lithium-ion batteries, these hollow carbon-coated particles exhibit high capacity (900 mAh g(-1)), excellent cycle stability (180 cycles) and rate performance due to their unique hierarchical hollow structure and carbon coating.

Fabrication of p-type porous silicon nanowire with oxidized silicon substrate through one-step MACE

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

Li, Shaoyuan; Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093; Ma, Wenhui, E-mail: mwhsilicon@163.com

2014-05-01

In this paper, the simple pre-oxidization process is firstly used to treat the starting silicon wafer, and then MPSiNWs are successfully fabricated from the moderately doped wafer by one-step MACE technology in HF/AgNO{sub 3} system. The PL spectrum of MPSiNWs obtained from the oxidized silicon wafers show a large blue-shift, which can be attributed to the deep Q. C. effect induced by numerous mesoporous structures. The effects of HF and AgNO{sub 3} concentration on formation of SiNWs were carefully investigated. The results indicate that the higher HF concentration is favorable to the growth of SiNWs, and the density of SiNWsmore » is significantly reduced when Ag{sup +} ions concentrations are too high. The deposition behaviors of Ag{sup +} ions on oxidized and unoxidized silicon surface were studied. According to the experimental results, a model was proposed to explain the formation mechanism of porous SiNWs by etching the oxidized starting silicon. - Graphical abstract: Schematic cross-sectional views of PSiNWs array formation by etching oxidized silicon wafer in HF/AgNO{sub 3} solution. (A) At the starting point; (B) during the etching process; and (C) after Ag dendrites remove. - Highlights: • Prior to etching, a simple pre-oxidation is firstly used to treat silicon substrate. • The medially doped p-type MPSiNWs are prepared by one-step MACE. • Deposition behaviors of Ag{sup +} ions on oxidized and unoxidized silicon are studied. • A model is finally proposed to explain the formation mechanism of PSiNWs.« less

Dependence of negative ion formation on inhomogeneous electric field strength in atmospheric pressure negative corona discharge

NASA Astrophysics Data System (ADS)

Sekimoto, K.; Takayama, M.

2008-12-01

The dependence of negative ion formation on the inhomogeneous electric field strength in atmospheric pressure negative corona discharge with point-to-plane electrodes has been described. The distribution of negative ions HO-, NOx - and COx - and their abundances on the plane electrode was obtained with a mass spectrometer. The ion distribution on the plane was divided into two regions, the center region on the needle axis and peripheral region occurring the dominant NOx - and COx - ions and HO- ion, respectively. The calculated electric field strength in inhomogeneous electric field established on the needle tip surface suggested that the abundant formation of NOx - and COx - ions and HO- ion is attributed to the high field strength at the tip apex region over 108 Vm-1 and the low field strength at the tip peripheral region of the order of 107 Vm-1, respectively. The formation of HO-, NOx - and COx - has been discussed from the standpoint of negative ion evolution based on the thermochemical reaction and the kinetic energy of electron emitted from the needle tip.

High-Resolution and Analytical TEM Investigation of Space Radiation Processing Effects in Primitive Solar System Materials and Airless Planetary Surface Environments

NASA Technical Reports Server (NTRS)

Christoffersen, R.; Rahman, Z.; Keller, L. P.; Dukes, C.; Baragiola, R.

2012-01-01

Energetic ions present in the diverse plasma conditions in space play a significant role in the formation and modification of solid phases found in environments ranging from the interstellar medium (ISM) to the surfaces of airless bodies such as asteroids and the Moon. These effects are often referred to as space radiation processing, a term that encompasses changes induced in natural space-exposed materials that may be only structural, such as in radiation-induced amorphization, or may involve ion-induced nanoscale to microscale chemical changes, as occurs in preferential sputtering and ion-beam mixing. Ion sputtering in general may also be responsible for partial or complete erosion of space exposed materials, in some instances possibly bringing about the complete destruction of free-floating solid grains in the ISM or in circumstellar nebular dust clouds. We report here on two examples of the application of high-resolution and analytical transmission electron microscopy (TEM) to problems in space radiation processing. The first problem concerns the role of space radiation processing in controlling the overall fate of Fe sulfides as hosts for sulfur in the ISM. The second problem concerns the known, but as yet poorly quantified, role of space radiation processing in lunar space weathering.

Experimental particle formation rates spanning tropospheric sulfuric acid and ammonia abundances, ion production rates, and temperatures

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

Kürten, Andreas; Bianchi, Federico; Almeida, Joao

Binary nucleation of sulfuric acid and water as well as ternary nucleation involving ammonia are thought to be the dominant processes responsible for new particle formation (NPF) in the cold temperatures of the middle and upper troposphere. Ions are also thought to be important for particle nucleation in these regions. However, global models presently lack experimentally measured NPF rates under controlled laboratory conditions and so at present must rely on theoretical or empirical parameterizations. Here with data obtained in the European Organization for Nuclear Research CLOUD (Cosmics Leaving OUtdoor Droplets) chamber, we present the first experimental survey of NPF ratesmore » spanning free tropospheric conditions. The conditions during nucleation cover a temperature range from 208 to 298 K, sulfuric acid concentrations between 5 × 10 5 and 1 × 10 9cm -3, and ammonia mixing ratios from zero added ammonia, i.e., nominally pure binary, to a maximumof ~1400 parts per trillion by volume (pptv).We performed nucleation studies under pure neutral conditions with zero ions being present in the chamber and at ionization rates of up to 75 ion pairs cm -3 s -1 to study neutral and ion-induced nucleation. We found that the contribution from ion-induced nucleation is small at temperatures between 208 and 248 K when ammonia is present at several pptv or higher. However, the presence of charges significantly enhances the nucleation rates, especially at 248 K with zero added ammonia, and for higher temperatures independent of NH 3 levels. In conclusion, we compare these experimental data with calculated cluster formation rates from the Atmospheric Cluster Dynamics Code with cluster evaporation rates obtained from quantum chemistry.« less

Experimental particle formation rates spanning tropospheric sulfuric acid and ammonia abundances, ion production rates, and temperatures

DOE PAGES

Kürten, Andreas; Bianchi, Federico; Almeida, Joao; ...

2016-10-27

Binary nucleation of sulfuric acid and water as well as ternary nucleation involving ammonia are thought to be the dominant processes responsible for new particle formation (NPF) in the cold temperatures of the middle and upper troposphere. Ions are also thought to be important for particle nucleation in these regions. However, global models presently lack experimentally measured NPF rates under controlled laboratory conditions and so at present must rely on theoretical or empirical parameterizations. Here with data obtained in the European Organization for Nuclear Research CLOUD (Cosmics Leaving OUtdoor Droplets) chamber, we present the first experimental survey of NPF ratesmore » spanning free tropospheric conditions. The conditions during nucleation cover a temperature range from 208 to 298 K, sulfuric acid concentrations between 5 × 10 5 and 1 × 10 9cm -3, and ammonia mixing ratios from zero added ammonia, i.e., nominally pure binary, to a maximumof ~1400 parts per trillion by volume (pptv).We performed nucleation studies under pure neutral conditions with zero ions being present in the chamber and at ionization rates of up to 75 ion pairs cm -3 s -1 to study neutral and ion-induced nucleation. We found that the contribution from ion-induced nucleation is small at temperatures between 208 and 248 K when ammonia is present at several pptv or higher. However, the presence of charges significantly enhances the nucleation rates, especially at 248 K with zero added ammonia, and for higher temperatures independent of NH 3 levels. In conclusion, we compare these experimental data with calculated cluster formation rates from the Atmospheric Cluster Dynamics Code with cluster evaporation rates obtained from quantum chemistry.« less

Influences of specific ions in groundwater on concrete degradation in subsurface engineered barrier system.

PubMed

Lin, Wen-Sheng; Liu, Chen-Wuing; Li, Ming-Hsu

2016-01-01

Many disposal concepts currently show that concrete is an effective confinement material used in engineered barrier systems (EBS) at a number of low-level radioactive waste (LLW) disposal sites. Cement-based materials have properties for the encapsulation, isolation, or retardation of a variety of hazardous contaminants. The reactive chemical transport model of HYDROGEOCHEM 5.0 was applied to simulate the effect of hydrogeochemical processes on concrete barrier degradation in an EBS which has been proposed to use in the LLW disposal site in Taiwan. The simulated results indicated that the main processes that are responsible for concrete degradation are the species induced from hydrogen ion, sulfate, and chloride. The EBS with the side ditch drainage system effectively discharges the infiltrated water and lowers the solute concentrations that may induce concrete degradation. The redox processes markedly influence the formations of the degradation materials. The reductive environment in the EBS reduces the formation of ettringite in concrete degradation processes. Moreover, the chemical conditions in the concrete barriers maintain an alkaline condition after 300 years in the proposed LLW repository. This study provides a detailed picture of the long-term evolution of the hydrogeochemical environment in the proposed LLW disposal site in Taiwan.

Investigation of the Mechanism of Electron Capture and Electron Transfer Dissociation of Peptides with a Covalently Attached Free Radical Hydrogen Atom Scavenger.

PubMed

Sohn, Chang Ho; Yin, Sheng; Peng, Ivory; Loo, Joseph A; Beauchamp, J L

2015-11-15

The mechanisms of electron capture and electron transfer dissociation (ECD and ETD) are investigated by covalently attaching a free-radical hydrogen atom scavenger to a peptide. The 2,2,6,6-tetramethylpiperidin-l-oxyl (TEMPO) radical was chosen as the scavenger due to its high hydrogen atom affinity (ca. 280 kJ/mol) and low electron affinity (ca. 0.45 ev), and was derivatized to the model peptide, FQX TEMPO EEQQQTEDELQDK. The X TEMPO residue represents a cysteinyl residue derivatized with an acetamido-TEMPO group. The acetamide group without TEMPO was also examined as a control. The gas phase proton affinity (882 kJ/mol) of TEMPO is similar to backbone amide carbonyls (889 kJ/mol), minimizing perturbation to internal solvation and sites of protonation of the derivatized peptides. Collision induced dissociation (CID) of the TEMPO tagged peptide dication generated stable odd-electron b and y type ions without indication of any TEMPO radical induced fragmentation initiated by hydrogen abstraction. The type and abundance of fragment ions observed in the CID spectra of the TEMPO and acetamide tagged peptides are very similar. However, ECD of the TEMPO labeled peptide dication yielded no backbone cleavage. We propose that a labile hydrogen atom in the charge reduced radical ions is scavenged by the TEMPO radical moiety, resulting in inhibition of N-C α backbone cleavage processes. Supplemental activation after electron attachment (ETcaD) and CID of the charge-reduced precursor ion generated by electron transfer of the TEMPO tagged peptide dication produced a series of b + H (b H ) and y + H (y H ) ions along with some c ions having suppressed intensities, consistent with stable O-H bond formation at the TEMPO group. In summary, the results indicate that ECD and ETD backbone cleavage processes are inhibited by scavenging of a labile hydrogen atom by the localized TEMPO radical moiety. This observation supports the conjecture that ECD and ETD processes involve long-lived intermediates formed by electron capture/transfer in which a labile hydrogen atom is present and plays a key role with low energy processes leading to c and z ion formation. Ab initio and density functional calculations are performed to support our conclusion, which depends most importantly on the proton affinity, electron affinity and hydrogen atom affinity of the TEMPO moiety.

Revisiting the thermal-spike concept in ion-surface interactions

NASA Astrophysics Data System (ADS)

Miotello, Antonio; Kelly, Roger

1997-02-01

In recent years many groups have advocated a thermal-spike model to explain a variety of experimental results in ion-irradiation of solids, as for example sputtering, mixing, compositional change, structural change, and track formation. The latter include crystal-to-amorphous transitions as well as track formation due to MeV/u particles. In this paper we reconsider the phenomena occurring during ion impact of solids looking at the time scale generally indicated as relevant for thermal-spike effects, namely a picosecond scale as shown by molecular dynamics. Sputtering, mixing, and track formation, however, will be analyzed in more detail. We consider first ion-beam sputtering and reiterate (as is already well-known) that yields which increase with the bulk temperature most often indicate merely the onset of normal vaporization. Indeed, only simulations appear to be capable of giving insight even if the information is sometimes tentative. In mixing, ballistic transport is important but not dominant. It is often argued that the additional transport is provided by thermal spikes but it is noted that such an assumption is normally not required by the experimental results. What is more relevant is a role for residual defects such that the total diffusion flux includes (if the defects are chemically guided) a modified Darken factor, or (if the defects are not chemically guided) simply an increased diffusivity. The time scale (min), distances (well beyond the collision cascade), temperature sensitivity (changes of as little as 75 K are relevant), and correlation with vacancy properties (thence with the solid rather than liquid state) which are relevant to these residual defects are not understandable in terms of thermal spikes. We finally consider track formation. Recent work claiming that track formation in solids, irradiated with heavy ions, may be understood in terms of thermal spikes is reconsidered to show that the thermal-spike model is utilized without considering all the relevant phenomena included in irradiation-induced heating and phase transitions. For example, a comparison of fs-laser pulse irradiation of Si with swift heavy-ion irradiation, shows that melting is possible in the first case since the excited electrons have a low and more or less restricted energy while in the case of swift ion-irradiation, the motion of the excited electrons includes a ballistic component which does not favour the localization of the thermal energy necessary to induce lattice melting. It is concluded that track formation is better understandable in a more general framework of defect-induced processes in solids.

Isolation and Characterization of FORMATE/NI(CYCLAM)^{2+} Complexes with Cryogenic Ion Vibrational Predissociation

NASA Astrophysics Data System (ADS)

Wolk, Arron B.; Fournier, Joseph A.; Wolke, Conrad T.; Johnson, Mark A.

2013-06-01

Transition metal-based organometallic catalysts are a promising means of converting CO_{2} to transportable fuels. Ni(cyclam)^{2+}(cyclam = 1,4,8,11-tetraazacyclotetradecane), a Ni^{II} complex ligated by four nitrogen centers, has shown promise as a catalyst selective for CO_{2} reduction in aqueous solutions. The cyclam ligand has four NH hydrogen bond donors that can adopt five conformations, each offering distinct binding motifs for coordination of CO_{2} close to the metal center. To probe the ligand conformation and the role of hydrogen bonding in adduct binding, we extract Ni(cyclam)^{2+} complexes with the formate anion and some of its analogs from solution using electrospray ionization, and characterize their structures using cryogenic ion vibrational predissociation spectroscopy. Using the signature vibrational features of the embedded carboxylate anion and the NH groups as reporters, we compare the binding motifs of oxalate, benzoate, and formate anions to the Ni(cyclam)^{2+} framework. Finally, we comment on possible routes to generate the singly charged Ni(cyclam)^{+} complex, a key intermediate that has been invoked in the catalytic CO_{2} reduction cycle, but has never been isolated through ion processing techniques.

Chromium silicide formation by ion mixing

NASA Technical Reports Server (NTRS)

Shreter, U.; So, F. C. T.; Nicolet, M.-A.

1984-01-01

The formation of CrSi2 by ion mixing was studied as a function of temperature, silicide thickness and irradiated interface. Samples were prepared by annealing evaporated couples of Cr on Si and Si on Cr at 450 C for short times to form Si/CrSi2/Cr sandwiches. Xenon beams with energies up to 300 keV and fluences up to 8 x 10 to the 15th per sq cm were used for mixing at temperatures between 20 and 300 C. Penetrating only the Cr/CrSi2 interface at temperatures above 150 C induces further growth of the silicide as a uniform stoichiometric layer. The growth rate does not depend on the thickness of the initially formed silicide at least up to a thickness of 150 nm. The amount of growth depends linearly on the density of energy deposited at the interface. The growth is temperature dependent with an apparent activation energy of 0.2 eV. Irradiating only through the Si/CrSi2 interface does not induce silicide growth. It is concluded that the formation of CrSi2 by ion beam mixing is an interface-limited process and that the limiting reaction occurs at the Cr/CrSi2 interface.

Dispersions of polymer ionomers: I.

PubMed

Capek, Ignác

2004-12-31

The principal subject discussed in the current paper is the effect of ionic functional groups in polymers on the formation of nontraditional polymer materials, polymer blends or polymer dispersions. Ionomers are polymers that have a small amount of ionic groups distributed along a nonionic hydrocarbon chain. Specific interactions between components in a polymer blend can induce miscibility of two or more otherwise immiscible polymers. Such interactions include hydrogen bonding, ion-dipole interactions, acid-base interactions or transition metal complexation. Ion-containing polymers provide a means of modifying properties of polymer dispersions by controlling molecular structure through the utilization of ionic interactions. Ionomers having a relatively small number of ionic groups distributed usually along nonionic organic backbone chains can agglomerate into the following structures: (1) multiplets, consisting of a small number of tightly packed ion pairs; and (2) ionic clusters, larger aggregates than multiplets. Ionomers exhibit unique solid-state properties as a result of strong associations among ionic groups attached to the polymer chains. An important potential application of ionomers is in the area of thermoplastic elastomers, where the associations constitute thermally reversible cross-links. The ionic (anionic, cationic or polar) groups are spaced more or less randomly along the polymer chain. Because in this type of ionomer an anionic group falls along the interior of the chain, it trails two hydrocarbon chain segments, and these must be accommodated sterically within any domain structure into which the ionic group enters. The primary effects of ionic functionalization of a polymer are to increase the glass transition temperature, the melt viscosity and the characteristic relaxation times. The polymer microstructure is also affected, and it is generally agreed that in most ionomers, microphase-separated, ion-rich aggregates form as a result of strong ion-dipole attractions. As a consequence of this new phase, additional relaxation processes are often observed in the viscoelastic behavior of ionomers. Light functionalization of polymers can increase the glass transition temperature and gives rise to two new features in viscoelastic behavior: (1) a rubbery plateau above T(g) and (2) a second loss process at elevated temperatures. The rubbery plateau was due to the formation of a physical network. The major effect of the ionic aggregate was to increase the longer time relaxation processes. This in turn increases the melt viscosity and is responsible for the network-like behavior of ionomers above the glass transition temperature. Ionomers rich in polar groups can fulfill the criteria for the self-assembly formation. The reported phenomenon of surface micelle formation has been found to be very general for these materials.

Communication: Classical threshold law for ion-neutral-neutral three-body recombination

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

Pérez-Ríos, Jesús; Greene, Chris H.

2015-07-28

A very recently method for classical trajectory calculations for three-body collision [Pérez-Ríos et al., J. Chem. Phys. 140, 044307 (2014)] has been applied to describe ion-neutral-neutral ternary processes for low energy collisions: 0.1 mK–10 mK. As a result, a threshold law for the three-body recombination cross section is obtained and corroborated numerically. The derived threshold law predicts the formation of weakly bound dimers, with binding energies comparable to the collision energy of the collisional partners. In this low energy range, this analysis predicts that molecular ions should dominate over molecular neutrals as the most products formed.

The influence of vegetation on the hydrodynamics and geomorphology of a tree island in Everglades National Park (Florida, United States)

USGS Publications Warehouse

Sullivan, Pamela L.; Engel, Victor C.; Ross, Michael S.; Price, René M.

2013-01-01

Transpiration-driven nutrient accumulation has been identified as a potential mechanism governing the creation and maintenance of wetland vegetation patterning. This process may contribute to the formation of nutrient-rich tree islands within the expansive oligotrophic marshes of the Everglades (Florida, United States). This study presents hydrogeochemical data indicating that tree root water uptake is a primary driver of groundwater ion accumulation across one of these islands. Sap flow, soil moisture, water level, water chemistry, and rainfall were measured to identify the relationships between climate, transpiration, and groundwater uptake by phreatophytes and to examine the effect this uptake has on groundwater chemistry and mineral formation in three woody plant communities of differing elevations. During the dry season, trees relied more on groundwater for transpiration, which led to a depressed water table and the advective movement of groundwater and dissolved ions, including phosphorus, from the surrounding marsh towards the centre of the island. Ion exclusion during root water uptake led to elevated concentrations of all major dissolved ions in the tree island groundwater compared with the adjacent marsh. Groundwater was predominately supersaturated with respect to aragonite and calcite in the lower-elevation woody communities, indicating the potential for soil formation. Elevated groundwater phosphorous concentrations detected in the highest-elevation woody community were associated with the leaching of inorganic sediments (i.e. hydroxyapatite) in the vadose zone. Understanding the complex feedback mechanisms regulating plant/groundwater/surface water interactions, nutrient dynamics, and potential soil formation is necessary to manage and restore patterned wetlands such as the Everglades.

The formation of [M-H]+ ions in N-alkyl-substituted thieno[3,4-c]-pyrrole-4,6-dione derivatives during atmospheric pressure photoionization mass spectrometry.

PubMed

Sioud, Salim; Kharbatia, Najeh; Amad, Maan H; Zhu, Zhiyong; Cabanetos, Clement; Lesimple, Alain; Beaujuge, Pierre

2014-11-30

The formation of ions during atmospheric pressure photoionization (APPI) mass spectrometry in the positive mode usually provides radical cations and/or protonated species. Intriguingly, during the analysis of some N-alkyl-substituted thieno[3,4-c]pyrrole-4,6-dione (TPD) derivatives synthesized in our laboratory, unusual [M-H](+) ion peaks were observed. In this work we investigate the formation of [M-H](+) ions observed under APPI conditions. Multiple experimental parameters, including the type of ionization source, the composition of the solvent, the type of dopant, the infusion flow rate, and the length of the alkyl side chain were investigated to determine their effects on the formation of [M-H](+) ions. In addition, a comparison study of the gas-phase tandem mass spectrometric (MS/MS) fragmentation of [M + H](+) vs [M-H](+) ions and computational approaches were used. [M-H](+) ions were observed under APPI conditions. The type of dopant and the length of the alkyl chain affected the formation of these ions. MS/MS fragmentation of [M-H](+) and [M + H](+) ions exhibited completely different patterns. Theoretical calculations revealed that the loss of hydrogen molecules from the [M + H](+) ions is the most favourable condition under which to form [M-H](+) ions. [M-H](+) ions were detected in all the TPD derivatives studied here under the special experimental conditions during APPI, using a halogenated benzene dopant, and TPD containing substituted N-alkyl side chains with a minimum of four carbon atoms. Density functional theory calculations showed that for [M-H](+) ions to be formed under these conditions, the loss of hydrogen molecules from the [M + H](+)  ions is proposed to be necessary. Copyright © 2014 John Wiley & Sons, Ltd.

A meteor ablation-cluster ion atmospheric sodium theory

NASA Technical Reports Server (NTRS)

Richter, E. S.; Sechrist, C. F., Jr.

1979-01-01

Neutral and ionic forms of sodium form narrow, well-defined layers which peak in the 90-95 km altitude region at midlatitudes. A new theory for the sodium layer is presented, which is found to be in good agreement with existing atmospheric observations as well as available laboratory measurements of rate constants. The layer is believed to result naturally from a meteor ablation source over a chemical sink with vertical transport of Na(+) playing an important role in the layer shape and variation. While the neutral chemistry is believed to consist of chemical equilibrium between Na and NaO, the ion chemistry departs from earlier studies and considers a cluster ion scheme. It is possible that higher-order cluster ions of sodium play a role in the formation of aerosols, through attachment or ion-induced nucleation processes.

Ion energy/momentum effects during ion assisted growth of niobium nitride films

NASA Astrophysics Data System (ADS)

Klingenberg, Melissa L.

The research described herein was performed to better understand and discern ion energy vs. ion momentum effects during ion beam assisted (IBAD) film growth and their effects on residual stress, crystalline structure, morphology, and composition, which influence film tribological properties. NbxN y was chosen for this research because it is a refractory material that can possess a large number of crystalline structures, and it has been found to have good tribological properties. To separate the effects of momentum transfer per arriving atom (p/a), which considers bombarding species mass, energy, and ion-to-atom transport ratio, from those of energy deposition per arriving atom (E/a), a mass independent parameter, different inert ion beams (krypton, argon, and neon) were used to create a matrix of coatings formed using similar energy deposition, but different momentum transfer and vice versa. Deposition was conducted in a research-scale IBAD system using electron beam evaporation, a radio frequency ion source, and a neutral nitrogen gas backfill. Films were characterized using x-ray diffraction, atomic force microscopy, Rutherford backscattering spectrometry, and residual stress analysis. Direct and quantifiable effects of bombardment were observed; however, energy deposition and momentum transfer effects could not be completely separated, confirming that thin film processes are complex. Complexities arose from ion-specific interactions (ion size, recoil energy, per cent reflected neutrals, Penning ionization, etc.) and chemistry effects that are not considered by the simple models. Overall, it can be stated that bombardment promoted nitride formation, nanocrystallinity, and compressive stress formation; influenced morphology (which influenced post-deposition oxygen uptake) and stress evolution; increased lattice parameter; modified crystalline phase and texture; and led to inert gas incorporation. High stress levels correlated strongly with material disorder and closed-structured morphologies.

An interpretation of the ion pile-up region outside the ionospheric contact surface. [Halley's comet

NASA Technical Reports Server (NTRS)

Ip, WING-H.; Schwenn, R.; Rosenbauer, H.; Balsiger, H.; Neugebauer, M.; Shelley, E. G.

1986-01-01

The possibility that the formation of the plasma pile-up region at comet Halley as observed by Giotto could be the combined result of field-aligned transport and recombination process is discussed. Giotto measurements support the hypothesis.

Ion flow measurements during the rotating kink behavior of the central column in the HIST device

NASA Astrophysics Data System (ADS)

Yamada, S.; Yoshikawa, T.; Hashimoto, S.; Nishioka, T.; Kikuchi, Y.; Fukumoto, N.; Nagata, M.

2007-11-01

Plasma flow is essentially driven in self-organization and magnetic reconnection process of compact spherical torus (ST) and spheromak in the helicity-driven systems. For example, when reversing the external toroidal field of ST, the direction not only of the plasma current but also of the toroidal ion flow is self-reversed during the formation of the flipped ST relaxed states. Mach probe measurement shows that the velocity of the ion flow reversed after the flip increases to about 20 km/s. We have been newly developing an ion Doppler spectrometer (IDS) system using a compact 16 or 64 channel photomultiplier tube (PMT) in order to measure the spatial profile of ion temperature and rotation velocity in the HIST device. The IDS system consists of a light collection system including optical fibers, 1 m-spectrometer and the PMT detector. The optical fibers covered with glass tubes are inserted into the plasma. The glass tubes can be rotated in the poloidal and the toroidal directions. The new IDS system will be applied to observations of ion temperature and plasma rotation in the flipped ST formation and in the MHD control of kinking behaviors of the central column by using the rotating magnetic field (RMF). Preliminary IDS results will be compared to those from Mach probe measurements in space.

Ion-ion Recombination and Chemiion Concentrations In Aircraft Exhaust

NASA Astrophysics Data System (ADS)

Turco, R. P.; Yu, F.

Jet aircraft emit large quantities of ultrafine volatile aerosols, as well as soot parti- cles, into the environment. To determine the long-term effects of these emissions, a better understanding of the mechanisms that control particle formation and evolution is needed, including the number and size dispersion. A recent explanation for aerosol nucleation in a jet wake involves the condensation of sulfuric acid vapor, and cer- tain organic compounds, onto charged molecular clusters (chemiions) generated in the engine combustors (Yu and Turco, 1997). Massive charged aggregates, along with sulfuric acid and organic precursor vapors, have been detected in jet plumes under cruise conditions. In developing the chemiion nucleation theory, Yu and Turco noted that ion-ion recombination in the engine train and jet core should limit the chemiion emission index to 1017/kg-fuel. This value is consistent with ion-ion recombination coefficients of 1×10-7 cm3/s over time scales of 10-2 s. However, the evolution of the ions through the engine has not been adequately studied. The conditions at the combustor exit are extreme-temperatures approach 1500 K, and pressures can reach 30 atmospheres. In this presentation, we show that as the combustion gases expand and cool, two- and three-body ion-ion recombination processes control the chemiion concentration. The concepts of mutual neutralization and Thomson recombination are first summarized, and appropriate temperature and pressure dependent recombination rate coefficients are derived for the aircraft problem. A model for ion losses in jet exhaust is then formulated using an "invariance" principle discussed by Turco and Yu (1997) in the context of a coagulating aerosol in an expanding plume. This recombina- tion model is applied to estimate chemiion emission indices for a range of operational engine conditions. The predicted ion emission rates are found to be consistent with observations. We discuss the sources of variance in chemiion exhaust concentrations based on the physical processes occurring in the exhaust stream. References: Turco, R. P., and F. Yu, Aerosol invariance in expanding, coagulating plumes, Geo- phys. Res. Lett., 24, 1223-1226, 1997. Yu, F., and R. P. Turco, The role of ions in the formation and evolution of particles in aircraft plumes, Geophys. Res. Lett., 24, 1927-1930, 1997.

Effects of Charge State on Fragmentation Pathways, Dynamics, and Activation Energies of Ubiquitin Ions Measured by Blackbody Infrared Radiative Dissociation

PubMed Central

Jockusch, Rebecca A.; Schnier, Paul D.; Price, William D.; Strittmatter, Eric. F.; Demirev, Plamen A.; Williams*, Evan R.

2005-01-01

Blackbody infrared radiative dissociation spectra of the (M + 5H)5+ through (M + 11H)11+ ions of the protein ubiquitin (8.6 kDa) formed by electrospray ionization were measured in a Fourier-transform mass spectrometer. The 5+ ion dissociates exclusively by loss of water and/or ammonia, whereas the 11+ charge state dissociates only by formation of complementary y and b ions. These two processes are competitive for intermediate charge state ions, with the formation of y and b ions increasingly favored for the higher charge states. The y and b ions are formed by cleavage of the backbone amide bond on the C-terminal side of acidic residues exclusively, with cleavage adjacent to aspartic acid favored. Thermal unimolecular dissociation rate constants for the dissociation of each of these charge states were measured. From the temperature dependence of these rates, Arrhenius activation parameters in the rapid energy exchange limit are obtained. The activation energies (Ea) and preexponential factors (A) for the 5+, 8+, and 9+ ions are 1.2 eV and 1012 s−1, respectively. These values for the 6+ and 7+ ions are 0.9–1.0 eV and 109 s−1, and those for the 10+ and 11+ ions are 1.6 eV and 1016–1017 s−1. Thus, with the exception of the 5+ ion, the higher charge states of ubiquitin have larger dissociation activation energies than the lower charge states. The different A factors observed for production of y and b ions from different precursor charge states indicate that they are formed by different mechanisms, ranging from relatively complex rearrangements to direct bond cleavages. These results clearly demonstrate that the relative dissociation rates of large biomolecule ions by themselves are not necessarily a reliable indicator of their relative dissociation energies, even when similar fragment ions are formed. PMID:9075403

Effects of charge state on fragmentation pathways, dynamics, and activation energies of ubiquitin ions measured by blackbody infrared radiative dissociation.

PubMed

Jockusch, R A; Schnier, P D; Price, W D; Strittmatter, E F; Demirev, P A; Williams, E R

1997-03-15

Blackbody infrared radiative dissociation spectra of the (M + 5H)5+ through (M + 11H)11+ ions of the protein ubiquitin (8.6 kDa) formed by electrospray ionization were measured in a Fourier-transform mass spectrometer. The 5+ ion dissociates exclusively by loss of water and/or ammonia, whereas the 11+ charge state dissociates only by formation of complementary y and b ions. These two processes are competitive for intermediate charge state ions, with the formation of y and b ions increasingly favored for the higher charge states. The y and b ions are formed by cleavage of the backbone amide bond on the C-terminal side of acidic residues exclusively, with cleavage adjacent to aspartic acid favored. Thermal unimolecular dissociation rate constants for the dissociation of each of these charge states were measured. From the temperature dependence of these rates, Arrhenius activation parameters in the rapid energy exchange limit are obtained. The activation energies (Ea) and preexponential factors (A) for the 5+, 8+, and 9+ ions are 1.2 eV and 10(12) s-1, respectively. These values for the 6+ and 7+ ions are 0.9-1.0 eV and 10(9) s-1, and those for the 10+ and 11+ ions are 1.6 eV and 10(16)-10(17) s-1. Thus, with the exception of the 5+ ion, the higher charge states of ubiquitin have larger dissociation activation energies than the lower charge states. The different A factors observed for production of y and b ions from different precursor charge states indicate that they are formed by different mechanisms, ranging from relatively complex rearrangements to direct bond cleavages. These results clearly demonstrate that the relative dissociation rates of large biomolecule ions by themselves are not necessarily a reliable indicator of their relative dissociation energies, even when similar fragment ions are formed.

Metal carboxylate formation during indoor atmospheric corrosion of Cu, Zn, and Ni

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

Persson, D.; Leygraf, C.

Chemical analyses of surface films and corrosion products formed on pure Cu, Zn, Ni, and Ag samples exposed up to 12 months in various mild indoor environments have been performed by infrared reflection-absorption spectroscopy (IRAS) and X-ray photoelectron spectroscopy. The analyses reveal metal carboxylates to be the main ingredients on the surface of Cu, Zn, and Ni. Other ions, such as sulfate, chloride, nitrate, and ammonium ions are also present but in smaller amounts.The surface region on Ag contains mainly silver sulfide with smaller amounts of sulfate, ammonium, and chloride ions. The growth of the carboxylate layers, as followed bymore » IRAS, exhibits an initial film formation with a thickness of a few nanometers for all exposure sites investigated. Subsequent growth to thicker layers was observed at sites with higher humidity levels. The unexpectedly high content of metal carboxylates found on Cu, Zn, and Ni may provide insight into possible processes involved in the atmospheric indoor corrosion of these metals.« less

Raman spectroscopic studies on single supersaturated droplets of sodium and magnesium acetate.

PubMed

Wang, Liang-Yu; Zhang, Yun-Hong; Zhao, Li-Jun

2005-02-03

Raman spectroscopy was used to study structural changes, in particular, the formation of contact-ion pairs in supersaturated aqueous NaCH(3)COO and Mg(CH(3)COO)(2) droplets at ambient temperatures. The single droplets levitated in an electrodynamic balance (EDB), lost water, and became supersaturated when the relative humidity (RH) decreased. For NaCH(3)COO droplet the water-to-solute molar ratio (WSR) was 3.87 without solidification when water molecules were not enough to fill in the first hydration layer of Na(+), in favor of the formation of contact-ion pairs. However, the symmetric stretching vibration band (nu(3) mode) of free -COO(-) constantly appeared at 1416 cm(-1), and no spectroscopic information related to monodentate, bidentate, or bridge bidentate contact-ion pairs was observed due to the weak interactions between the Na(+) and acetate ion. On the other hand, the band of methyl deformation blue shifted from 1352 to 1370 cm(-1) (at RH = 34.2%, WSR = 2.43), corresponding to the solidification process of a novel metastable phase in the highly supersaturated solutions. With further decreasing RH, a small amount of supersaturated solution still existed and was proposed to be hermetically covered by the metastable phase of the particle. In contrast, the interaction between Mg(2+) and acetate ion is much stronger. When WSR decreased from 21.67 to 2.58 for the Mg(CH(3)COO)(2) droplet, the band of C-C-symmetric stretching (nu(4) mode) had a blue shift from 936 to 947 cm(-1). The intensity of the two new shoulders (approximately 1456 and approximately 1443 cm(-1)) of the nu(3) band of free -COO(-) at 1420 cm(-1) increased with the decrease of WSR. These changes were attributed to the formation of contact-ion pairs with bidentate structures. In particular, the small frequency difference between the shoulder at approximately 1443 cm(-1) and the nu(3) band of the free -COO(-) group (approximately 1420 cm(-1)) was proposed to be related to the formation of a chain structure based on the contact-ion pairs of bridge bidentate. The continuous formation of various contact-ion pairs started at higher WSR value (WSR = 15.5) greatly reduced the hygroscopic properties of Mg(CH(3)COO)(2) droplet, so that the WSR of Mg(CH(3)COO)(2) droplets was even lower than that of NaCH(3)COO in the RH range of 40-60%.

Ion beam enhancement in magnetically insulated ion diodes for high-intensity pulsed ion beam generation in non-relativistic mode

NASA Astrophysics Data System (ADS)

Zhu, X. P.; Zhang, Z. C.; Pushkarev, A. I.; Lei, M. K.

2016-01-01

High-intensity pulsed ion beam (HIPIB) with ion current density above Child-Langmuir limit is achieved by extracting ion beam from anode plasma of ion diodes with suppressing electron flow under magnetic field insulation. It was theoretically estimated that with increasing the magnetic field, a maximal value of ion current density may reach nearly 3 times that of Child-Langmuir limit in a non-relativistic mode and close to 6 times in a highly relativistic mode. In this study, the behavior of ion beam enhancement by magnetic insulation is systematically investigated in three types of magnetically insulated ion diodes (MIDs) with passive anode, taking into account the anode plasma generation process on the anode surface. A maximal enhancement factor higher than 6 over the Child-Langmuir limit can be obtained in the non-relativistic mode with accelerating voltage of 200-300 kV. The MIDs differ in two anode plasma formation mechanisms, i.e., surface flashover of a dielectric coating on the anode and explosive emission of electrons from the anode, as well as in two insulation modes of external-magnetic field and self-magnetic field with either non-closed or closed drift of electrons in the anode-cathode (A-K) gap, respectively. Combined with ion current density measurement, energy density characterization is employed to resolve the spatial distribution of energy density before focusing for exploring the ion beam generation process. Consistent results are obtained on three types of MIDs concerning control of neutralizing electron flows for the space charge of ions where the high ion beam enhancement is determined by effective electron neutralization in the A-K gap, while the HIPIB composition of different ion species downstream from the diode may be considerably affected by the ion beam neutralization during propagation.

Formation of inorganic electride thin films via site-selective extrusion by energetic inert gas ions

NASA Astrophysics Data System (ADS)

Miyakawa, Masashi; Toda, Yoshitake; Hayashi, Katsuro; Hirano, Masahiro; Kamiya, Toshio; Matsunami, Noriaki; Hosono, Hideo

2005-01-01

Inert gas ion implantation (acceleration voltage 300kV) into polycrystalline 12CaO.7Al2O3 (C12A7) films was investigated with fluences from 1×1016 to 1×1017cm-2 at elevated temperatures. Upon hot implantation at 600°C with fluences greater than 1×1017cm-2, the obtained films were colored and exhibited high electrical conductivity in the as-implanted state. The extrusion of O2- ions encaged in the crystallographic cages of C12A7 crystal, which leaves electrons in the cages at concentrations up to ˜1.4×1021cm-3, may cause the high electrical conductivity. On the other hand, when the fluence is less than 1×1017cm-2, the as-implanted films are optically transparent and electrically insulating. The conductivity is enhanced and the films become colored by irradiating with ultraviolet light due to the formation of F +-like centers. The electrons forming the F+-like centers are photo released from the encaged H- ions, which are presumably derived from the preexisting OH- groups. The induced electron concentration is proportional to the calculated displacements per atom, which suggests that nuclear collision effects of the implanted ions play a dominant role in forming the electron and H- ion in the films. The hot ion implantation technique provides a nonchemical process for preparing electronic conductive C12A7 films.

Online differentiation of mineral phase in aerosol particles by ion formation mechanism using a LAAP-TOF single-particle mass spectrometer

NASA Astrophysics Data System (ADS)

Marsden, Nicholas A.; Flynn, Michael J.; Allan, James D.; Coe, Hugh

2018-01-01

Mineralogy of silicate mineral dust has a strong influence on climate and ecosystems due to variation in physiochemical properties that result from differences in composition and crystal structure (mineral phase). Traditional offline methods of analysing mineral phase are labour intensive and the temporal resolution of the data is much longer than many atmospheric processes. Single-particle mass spectrometry (SPMS) is an established technique for the online size-resolved measurement of particle composition by laser desorption ionisation (LDI) followed by time-of-flight mass spectrometry (TOF-MS). Although non-quantitative, the technique is able to identify the presence of silicate minerals in airborne dust particles from markers of alkali metals and silicate molecular ions in the mass spectra. However, the differentiation of mineral phase in silicate particles by traditional mass spectral peak area measurements is not possible. This is because instrument function and matrix effects in the ionisation process result in variations in instrument response that are greater than the differences in composition between common mineral phases.In this study, we introduce a novel technique that enables the differentiation of mineral phase in silicate mineral particles by ion formation mechanism measured from subtle changes in ion arrival times at the TOF-MS detector. Using a combination of peak area and peak centroid measurements, we show that the arrangement of the interstitial alkali metals in the crystal structure, an important property in silicate mineralogy, influences the ion arrival times of elemental and molecular ion species in the negative ion mass spectra. A classification scheme is presented that allowed for the differentiation of illite-smectite, kaolinite and feldspar minerals on a single-particle basis. Online analysis of mineral dust aerosol generated from clay mineral standards produced mineral fractions that are in agreement with bulk measurements reported by traditional XRD (X-ray diffraction) analysis.

General Synthesis of Transition-Metal Oxide Hollow Nanospheres/Nitrogen-Doped Graphene Hybrids by Metal-Ammine Complex Chemistry for High-Performance Lithium-Ion Batteries.

PubMed

Chen, Jiayuan; Wu, Xiaofeng; Gong, Yan; Wang, Pengfei; Li, Wenhui; Mo, Shengpeng; Peng, Shengpan; Tan, Qiangqiang; Chen, Yunfa

2018-02-09

We present a general and facile synthesis strategy, on the basis of metal-ammine complex chemistry, for synthesizing hollow transition-metal oxides (Co 3 O 4 , NiO, CuO-Cu 2 O, and ZnO)/nitrogen-doped graphene hybrids, potentially applied in high-performance lithium-ion batteries. The oxygen-containing functional groups of graphene oxide play a prerequisite role in the formation of hollow transition-metal oxides on graphene nanosheets, and a significant hollowing process occurs only when forming metal (Co 2+ , Ni 2+ , Cu 2+ , or Zn 2+ )-ammine complex ions. Moreover, the hollowing process is well correlated with the complexing capacity between metal ions and NH 3 molecules. The significant hollowing process occurs for strong metal-ammine complex ions including Co 2+ , Ni 2+ , Cu 2+ , and Zn 2+ ions, and no hollow structures formed for weak and/or noncomplex Mn 2+ and Fe 3+ ions. Simultaneously, this novel strategy can also achieve the direct doping of nitrogen atoms into the graphene framework. The electrochemical performance of two typical hollow Co 3 O 4 or NiO/nitrogen-doped graphene hybrids was evaluated by their use as anodic materials. It was demonstrated that these unique nanostructured hybrids, in contrast with the bare counterparts, solid transition-metal oxides/nitrogen-doped graphene hybrids, perform with significantly improved specific capacity, superior rate capability, and excellent capacity retention. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Exciplex Formation between Silver Ions and the Lowest MLCT Excited State of the Tris(Bipyrazine)Ruthenium(2) Cation

DTIC Science & Technology

1988-07-11

OFFICE OF NAVAL RESEARCH Contract N00014-84-G-0201 Task No. 0051-865 0 Technical Report #21 Exciplex Formation Between Silver Ions and the Lowest...ELEMENT NO-. NO NO ~ ACCESSION NO 11. TITLE (include Security Classification) Exciplex Formation Between Silver Ions and the Lowest MLCT Excited State of... eXCiplexes with upIV to six silver ions per excited Cation. Lifetime, wavelength data are presented as a function of the [Agi/[Ru] ratio. An excited state

Super-hard cubic BN layer formation by nitrogen ion implantation

NASA Astrophysics Data System (ADS)

Komarov, F. F.; Pilko, V. V.; Yakushev, V. A.; Tishkov, V. S.

1994-11-01

Microcrystalline and amorphous boron thin films were implanted with nitrogen ions at energies from 25 to 125 keV and with doses from 2 × 10 17 to 1 × 10 18 at.cm 2 at temperatures below 200°C. The structure of boron nitride phases after ion implantation, formation of phases and phase transformations were investigated by TEM and TED methods. The cubic boron nitride phase is revealed. The microhardness of the formed films was satisfactorily explained in terms of chemical compound formation by polyenergetic ion implantation. The influence of the copper impurity on the formation of the cubic boron nitride phase is demonstrated. It has also been shown that low concentrations of copper promote cubic BN boundary formation.

ALCBEAM - Neutral beam formation and propagation code for beam-based plasma diagnostics

NASA Astrophysics Data System (ADS)

Bespamyatnov, I. O.; Rowan, W. L.; Liao, K. T.

2012-03-01

ALCBEAM is a new three-dimensional neutral beam formation and propagation code. It was developed to support the beam-based diagnostics installed on the Alcator C-Mod tokamak. The purpose of the code is to provide reliable estimates of the local beam equilibrium parameters: such as beam energy fractions, density profiles and excitation populations. The code effectively unifies the ion beam formation, extraction and neutralization processes with beam attenuation and excitation in plasma and neutral gas and beam stopping by the beam apertures. This paper describes the physical processes interpreted and utilized by the code, along with exploited computational methods. The description is concluded by an example simulation of beam penetration into plasma of Alcator C-Mod. The code is successfully being used in Alcator C-Mod tokamak and expected to be valuable in the support of beam-based diagnostics in most other tokamak environments. Program summaryProgram title: ALCBEAM Catalogue identifier: AEKU_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKU_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 66 459 No. of bytes in distributed program, including test data, etc.: 7 841 051 Distribution format: tar.gz Programming language: IDL Computer: Workstation, PC Operating system: Linux RAM: 1 GB Classification: 19.2 Nature of problem: Neutral beams are commonly used to heat and/or diagnose high-temperature magnetically-confined laboratory plasmas. An accurate neutral beam characterization is required for beam-based measurements of plasma properties. Beam parameters such as density distribution, energy composition, and atomic excited populations of the beam atoms need to be known. Solution method: A neutral beam is initially formed as an ion beam which is extracted from the ion source by high voltage applied to the extraction and accelerating grids. The current distribution of a single beamlet emitted from a single pore of IOS depends on the shape of the plasma boundary in the emission region. Total beam extracted by IOS is calculated at every point of 3D mesh as sum of all contributions from each grid pore. The code effectively unifies the ion beam formation, extraction and neutralization processes with neutral beam attenuation and excitation in plasma and neutral gas and beam stopping by the beam apertures. Running time: 10 min for a standard run.

Monitoring Ion Track Formation Using In Situ RBS/c, ToF-ERDA, and HR-PIXE.

PubMed

Karlušić, Marko; Fazinić, Stjepko; Siketić, Zdravko; Tadić, Tonči; Cosic, Donny Domagoj; Božičević-Mihalić, Iva; Zamboni, Ivana; Jakšić, Milko; Schleberger, Marika

2017-09-06

The aim of this work is to investigate the feasibility of ion beam analysis techniques for monitoring swift heavy ion track formation. First, the use of the in situ Rutherford backscattering spectrometry in channeling mode to observe damage build-up in quartz SiO₂ after MeV heavy ion irradiation is demonstrated. Second, new results of the in situ grazing incidence time-of-flight elastic recoil detection analysis used for monitoring the surface elemental composition during ion tracks formation in various materials are presented. Ion tracks were found on SrTiO₃, quartz SiO₂, a-SiO₂, and muscovite mica surfaces by atomic force microscopy, but in contrast to our previous studies on GaN and TiO₂, surface stoichiometry remained unchanged. Third, the usability of high resolution particle induced X-ray spectroscopy for observation of electronic dynamics during early stages of ion track formation is shown.

Monitoring Ion Track Formation Using In Situ RBS/c, ToF-ERDA, and HR-PIXE

PubMed Central

Karlušić, Marko; Fazinić, Stjepko; Siketić, Zdravko; Tadić, Tonči; Cosic, Donny Domagoj; Božičević-Mihalić, Iva; Zamboni, Ivana; Jakšić, Milko; Schleberger, Marika

2017-01-01

The aim of this work is to investigate the feasibility of ion beam analysis techniques for monitoring swift heavy ion track formation. First, the use of the in situ Rutherford backscattering spectrometry in channeling mode to observe damage build-up in quartz SiO2 after MeV heavy ion irradiation is demonstrated. Second, new results of the in situ grazing incidence time-of-flight elastic recoil detection analysis used for monitoring the surface elemental composition during ion tracks formation in various materials are presented. Ion tracks were found on SrTiO3, quartz SiO2, a-SiO2, and muscovite mica surfaces by atomic force microscopy, but in contrast to our previous studies on GaN and TiO2, surface stoichiometry remained unchanged. Third, the usability of high resolution particle induced X-ray spectroscopy for observation of electronic dynamics during early stages of ion track formation is shown. PMID:28878186

Formation of Porous Germanium Layers by Silver-Ion Implantation

NASA Astrophysics Data System (ADS)

Stepanov, A. L.; Vorob'ev, V. V.; Nuzhdin, V. I.; Valeev, V. F.; Osin, Yu. N.

2018-04-01

We propose a method for the formation of porous germanium ( P-Ge) layers containing silver nanoparticles by means of high-dose implantation of low-energy Ag+ ions into single-crystalline germanium ( c-Ge). This is demonstrated by implantation of 30-keV Ag+ ions into a polished c-Ge plate to a dose of 1.5 × 1017 ion/cm2 at an ion beam-current density of 5 μA/cm2. Examination by high-resolution scanning electron microscopy (SEM), atomic-force microscopy (AFM), X-ray diffraction (XRD), energy-dispersive X-ray (EDX) microanalysis, and reflection high-energy electron diffraction (RHEED) showed that the implantation of silver ions into c-Ge surface led to the formation of a P-Ge layer with spongy structure comprising a network of interwoven nanofibers with an average diameter of ˜10-20 nm Ag nanoparticles on the ends of fibers. It is also established that the formation of pores during Ag+ ion implantation is accompanied by effective sputtering of the Ge surface.

Ultrafast fluxional exchange dynamics in electrolyte solvation sheath of lithium ion battery

PubMed Central

Lee, Kyung-Koo; Park, Kwanghee; Lee, Hochan; Noh, Yohan; Kossowska, Dorota; Kwak, Kyungwon; Cho, Minhaeng

2017-01-01

Lithium cation is the charge carrier in lithium-ion battery. Electrolyte solution in lithium-ion battery is usually based on mixed solvents consisting of polar carbonates with different aliphatic chains. Despite various experimental evidences indicating that lithium ion forms a rigid and stable solvation sheath through electrostatic interactions with polar carbonates, both the lithium solvation structure and more importantly fluctuation dynamics and functional role of carbonate solvent molecules have not been fully elucidated yet with femtosecond vibrational spectroscopic methods. Here we investigate the ultrafast carbonate solvent exchange dynamics around lithium ions in electrolyte solutions with coherent two-dimensional infrared spectroscopy and find that the time constants of the formation and dissociation of lithium-ion···carbonate complex in solvation sheaths are on a picosecond timescale. We anticipate that such ultrafast microscopic fluxional processes in lithium-solvent complexes could provide an important clue to understanding macroscopic mobility of lithium cation in lithium-ion battery on a molecular level. PMID:28272396

Modification of polyvinyl alcohol surface properties by ion implantation

NASA Astrophysics Data System (ADS)

Pukhova, I. V.; Kurzina, I. A.; Savkin, K. P.; Laput, O. A.; Oks, E. M.

2017-05-01

We describe our investigations of the surface physicochemical properties of polyvinyl alcohol modified by silver, argon and carbon ion implantation to doses of 1 × 1014, 1 × 1015 and 1 × 1016 ion/cm2 and energies of 20 keV (for C and Ar) and 40 keV (for Ag). Infrared spectroscopy (IRS) indicates that destructive processes accompanied by chemical bond (sbnd Cdbnd O) generation are induced by implantation, and X-ray photoelectron spectroscopy (XPS) analysis indicates that the implanted silver is in a metallic Ag3d state without stable chemical bond formation with polymer chains. Ion implantation is found to affect the surface energy: the polar component increases while the dispersion part decreases with increasing implantation dose. Surface roughness is greater after ion implantation and the hydrophobicity increases with increasing dose, for all ion species. We find that ion implantation of Ag, Ar and C leads to a reduction in the polymer microhardness by a factor of five, while the surface electrical resistivity declines modestly.

Ultrafast fluxional exchange dynamics in electrolyte solvation sheath of lithium ion battery

NASA Astrophysics Data System (ADS)

Lee, Kyung-Koo; Park, Kwanghee; Lee, Hochan; Noh, Yohan; Kossowska, Dorota; Kwak, Kyungwon; Cho, Minhaeng

2017-03-01

Lithium cation is the charge carrier in lithium-ion battery. Electrolyte solution in lithium-ion battery is usually based on mixed solvents consisting of polar carbonates with different aliphatic chains. Despite various experimental evidences indicating that lithium ion forms a rigid and stable solvation sheath through electrostatic interactions with polar carbonates, both the lithium solvation structure and more importantly fluctuation dynamics and functional role of carbonate solvent molecules have not been fully elucidated yet with femtosecond vibrational spectroscopic methods. Here we investigate the ultrafast carbonate solvent exchange dynamics around lithium ions in electrolyte solutions with coherent two-dimensional infrared spectroscopy and find that the time constants of the formation and dissociation of lithium-ion...carbonate complex in solvation sheaths are on a picosecond timescale. We anticipate that such ultrafast microscopic fluxional processes in lithium-solvent complexes could provide an important clue to understanding macroscopic mobility of lithium cation in lithium-ion battery on a molecular level.

Ultrafast fluxional exchange dynamics in electrolyte solvation sheath of lithium ion battery.

PubMed

Lee, Kyung-Koo; Park, Kwanghee; Lee, Hochan; Noh, Yohan; Kossowska, Dorota; Kwak, Kyungwon; Cho, Minhaeng

2017-03-08

Lithium cation is the charge carrier in lithium-ion battery. Electrolyte solution in lithium-ion battery is usually based on mixed solvents consisting of polar carbonates with different aliphatic chains. Despite various experimental evidences indicating that lithium ion forms a rigid and stable solvation sheath through electrostatic interactions with polar carbonates, both the lithium solvation structure and more importantly fluctuation dynamics and functional role of carbonate solvent molecules have not been fully elucidated yet with femtosecond vibrational spectroscopic methods. Here we investigate the ultrafast carbonate solvent exchange dynamics around lithium ions in electrolyte solutions with coherent two-dimensional infrared spectroscopy and find that the time constants of the formation and dissociation of lithium-ion···carbonate complex in solvation sheaths are on a picosecond timescale. We anticipate that such ultrafast microscopic fluxional processes in lithium-solvent complexes could provide an important clue to understanding macroscopic mobility of lithium cation in lithium-ion battery on a molecular level.

Gas-phase reactions of glycine, alanine, valine and their N-methyl derivatives with the nitrosonium ion, NO+.

PubMed

Freitas, M A; O'Hair, R A; Schmidt, J A; Tichy, S E; Plashko, B E; Williams, T D

1996-10-01

The gas-phase reactions of the nitrosonium ion, NO+ with the amino acids glycine, alanine and valine and their N-methyl derivatives were investigated under chemical ionization mass spectrometric (CIMS) conditions. Two products were observed in all cases: the formation of the iminium ion and the formation of an [M-H]+ ion. The latter product is consistent with a reaction channel involving hydride abstraction by NO+, and was confirmed by (i) examining the Ar+CI mass spectra of the same amino acids under similar source conditions and (ii) examining the unimolecular fragmentation reactions of the [M + H]+ ions of the N-nitroso-N-methyl derivatives of each of the amino acids in a tandem mass spectrometer. Further insights into the reaction of glycine with NO+ were obtained by performing ab initio calculations (at the MP2/6-31G* parallel HF/6-31G* level). These results indicate that four reactions are thermodynamically viable for glycine: (i) hydride abstraction; (ii) iminium ion formation (with concomitant loss of HONO and CO); (iii) diazonium ion formation; and (iv) diazonium ion formation followed by loss of N2. Possible reasons why reactions (iii) and (iv) are not observed are discussed, and comparisons with solution reactivity and the gas-phase reactivity of NO+ are also made.

IBiSA_Tools: A Computational Toolkit for Ion-Binding State Analysis in Molecular Dynamics Trajectories of Ion Channels.

PubMed

Kasahara, Kota; Kinoshita, Kengo

2016-01-01

Ion conduction mechanisms of ion channels are a long-standing conundrum. Although the molecular dynamics (MD) method has been extensively used to simulate ion conduction dynamics at the atomic level, analysis and interpretation of MD results are not straightforward due to complexity of the dynamics. In our previous reports, we proposed an analytical method called ion-binding state analysis to scrutinize and summarize ion conduction mechanisms by taking advantage of a variety of analytical protocols, e.g., the complex network analysis, sequence alignment, and hierarchical clustering. This approach effectively revealed the ion conduction mechanisms and their dependence on the conditions, i.e., ion concentration and membrane voltage. Here, we present an easy-to-use computational toolkit for ion-binding state analysis, called IBiSA_tools. This toolkit consists of a C++ program and a series of Python and R scripts. From the trajectory file of MD simulations and a structure file, users can generate several images and statistics of ion conduction processes. A complex network named ion-binding state graph is generated in a standard graph format (graph modeling language; GML), which can be visualized by standard network analyzers such as Cytoscape. As a tutorial, a trajectory of a 50 ns MD simulation of the Kv1.2 channel is also distributed with the toolkit. Users can trace the entire process of ion-binding state analysis step by step. The novel method for analysis of ion conduction mechanisms of ion channels can be easily used by means of IBiSA_tools. This software is distributed under an open source license at the following URL: http://www.ritsumei.ac.jp/~ktkshr/ibisa_tools/.

Determination of water-soluble forms of oxalic and formic acids in soils by ion chromatography

NASA Astrophysics Data System (ADS)

Karicheva, E.; Guseva, N.; Kambalina, M.

2016-03-01

Carboxylic acids (CA) play an important role in the chemical composition origin of soils and migration of elements. The content of these acids and their salts is one of the important characteristics for agrochemical, ecological, ameliorative and hygienic assessment of soils. The aim of the article is to determine water-soluble forms of same carboxylic acids — (oxalic and formic acids) in soils by ion chromatography with gradient elution. For the separation and determination of water-soluble carboxylic acids we used reagent-free gradient elution ion-exchange chromatography ICS-2000 (Dionex, USA), the model solutions of oxalate and formate ions, and leachates from soils of the Kola Peninsula. The optimal gradient program was established for separation and detection of oxalate and formate ions in water solutions by ion chromatography. A stability indicating method was developed for the simultaneous determination of water-soluble organic acids in soils. The method has shown high detection limits such as 0.03 mg/L for oxalate ion and 0.02 mg/L for formate ion. High signal reproducibility was achieved in wide range of intensities which correspond to the following ion concentrations: from 0.04 mg/g to 10 mg/L (formate), from 0.1 mg/g to 25 mg/L (oxalate). The concentration of formate and oxalate ions in soil samples is from 0.04 to 0.9 mg/L and 0.45 to 17 mg/L respectively.

Aqueous formation and manipulation of the iron-oxo Keggin ion

NASA Astrophysics Data System (ADS)

Sadeghi, Omid; Zakharov, Lev N.; Nyman, May

2015-03-01

There is emerging evidence that growth of synthetic and natural phases occurs by the aggregation of prenucleation clusters, rather than classical atom-by-atom growth. Ferrihydrite, an iron oxyhydroxide mineral, is the common form of Fe3+ in soils and is also in the ferritin protein. We isolated a 10 angstrom discrete iron-oxo cluster (known as the Keggin ion, Fe13) that has the same structural features as ferrihydrite. The stabilization and manipulation of this highly reactive polyanion in water is controlled exclusively by its counterions. Upon dissolution of Fe13 in water with precipitation of its protecting Bi3+-counterions, it rapidly aggregates to ~22 angstrom spherical ferrihydrite nanoparticles. Fe13 may therefore also be a prenucleation cluster for ferrihydrite formation in natural systems, including by microbial and cellular processes.

Charge-transfer state excitation as the main mechanism of the photodarkening process in ytterbium-doped aluminosilicate fibres

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

Bobkov, K K; Rybaltovsky, A A; Vel'miskin, V V

2014-12-31

We have studied photodarkening in ytterbium-doped fibre preforms with an aluminosilicate glass core. Analysis of their absorption and luminescence spectra indicates the formation of stable Yb{sup 2+} ions in the glass network under IR laser pumping at a wavelength λ = 915 nm and under UV irradiation with an excimer laser (λ = 193 nm). We have performed comparative studies of the luminescence spectra of the preforms and crystals under excitation at a wavelength of 193 nm. The mechanism behind the formation of Yb{sup 2+} ions and aluminium – oxygen hole centres (Al-OHCs), common to ytterbium-doped YAG crystals and aluminosilicatemore » glass, has been identified: photoinduced Yb{sup 3+} charge-transfer state excitation. (optical fibres)« less

Controlled preparation of M(Ag, Au)/TiO2 through sulfydryl-assisted method for enhanced photocatalysis

NASA Astrophysics Data System (ADS)

Xia, Hongbo; Wu, Suli; Bi, Jiajie; Zhang, Shufen

2017-11-01

Here a simple and effective method was explored to fabricate M/TiO2 (M = Ag, Au) composites, which required neither pre-treatment of TiO2 nor any additives as reducing agent. Using amorphous TiO2 spheres functionalized with SH groups as starting materials, the noble metallic ions (Ag, Au) can be adsorbed by TiO2 due to their special affinity with SH groups, which is beneficial to the uniform dispersion of metallic ions on the surface of TiO2. Then the adsorbed ions were reduced to form noble metal nanoparticles by heating process (95 °C) directly without additive as reduction agent. Meanwhile, the amorphous TiO2 was transformed into anatase phase during the heating process. Thus, the transformation of TiO2 along with the reduction of noble metallic ions (Ag, Au) was simultaneously carried out by heating. The XRD patterns proved the formation of anatase TiO2 after heating. The characterizations of XPS and TEM proved the formation of Ag and Au nanoparticles on the surface of TiO2. The element mapping indicated that Ag nanoparticles are dispersed uniformly on the surface of TiO2. The photocatalytic activity of the composites has been investigated by the degradation of methyl orange under visible light irradiation. The results showed that when Ag/TiO2 (2.8 wt%) was used as photocatalyst, about 98% of the MO molecules were degraded in 70 min.

Silver-Containing α-MnO 2 Nanorods: Electrochemistry in Na-Based Battery Systems

DOE PAGES

Huang, Jianping; Poyraz, Altug S.; Lee, Seung-Yong; ...

2016-09-01

Manganese oxides are considered attractive cathode materials for rechargeable batteries due to the high abundance and environmental friendliness of manganese. In particular, cryptomelane and hollandite are desirable due to their ability to host cations within their octahedral molecular sieve (OMS-2) Alpha-MnO 2 structure. In this work, we investigate silver containing Alpha-MnO 2 structured materials (Ag xMn 8O 16, x = 1.22, L-Ag-OMS-2 or 1.66, H-Ag-OMS-2) as host materials for Li ion and Na ion insertion/de-insertion. The results indicate a significant difference in the lithiation versus sodiation process the OMS-2 materials. Initial reduction of Ag 1.22Mn 8O 16 to 1.0 Vmore » delivered ~370 mAh/g. Cycling of Ag1.22Mn8O16 between voltage ranges of 3.8 - 1.7 V and 3.8 - 1.3 V in a Na battery delivered initial capacities of 113 and 247 mAh/g, respectively. In contrast, Ag1.66Mn8O16 delivered only 15 mAh/g, ~0.5 electron equivalents, to 1.7 and 1.3 volts. Study of the system by electrochemical impedance spectroscopy (EIS) showed a significant decrease in charge transfer resistance from 2029 Omega to 594 Omega after 1.5 electron equivalents per Ag 1.22Mn 8O 16 formula unit of Na ion insertion. In contrast, both Ag 1.22Mn 8O 16 and Ag 1.66Mn 8O 16 exhibited gradual impedance increases during lithiation. The formation of silver metal could be detected only in the sodiated material by X-ray diffraction (XRD). Thus, the impedance of Ag-OMS-2 decreases upon sodiation coincident with the formation of silver metal during the discharge process, consistent with the more favorable formation of silver metal during the sodiation process relative to the lithation process.« less

Analyzing Internal Fragmentation of Electrosprayed Ubiquitin Ions During Beam-Type Collisional Dissociation

NASA Astrophysics Data System (ADS)

Durbin, Kenneth R.; Skinner, Owen S.; Fellers, Ryan T.; Kelleher, Neil L.

2015-05-01

Gaseous fragmentation of intact proteins is multifaceted and can be unpredictable by current theories in the field. Contributing to the complexity is the multitude of precursor ion states and fragmentation channels. Terminal fragment ions can be re-fragmented, yielding product ions containing neither terminus, termed internal fragment ions. In an effort to better understand and capitalize upon this fragmentation process, we collisionally dissociated the high (13+), middle (10+), and low (7+) charge states of electrosprayed ubiquitin ions. Both terminal and internal fragmentation processes were quantified through step-wise increases of voltage potential in the collision cell. An isotope fitting algorithm matched observed product ions to theoretical terminal and internal fragment ions. At optimal energies for internal fragmentation of the 10+, nearly 200 internal fragments were observed; on average each of the 76 residues in ubiquitin was covered by 24.1 internal fragments. A pertinent finding was that formation of internal ions occurs at similar energy thresholds as terminal b- and y-ion types in beam-type activation. This large amount of internal fragmentation is frequently overlooked during top-down mass spectrometry. As such, we present several new approaches to visualize internal fragments through modified graphical fragment maps. With the presented advances of internal fragment ion accounting and visualization, the total percentage of matched fragment ions increased from approximately 40% to over 75% in a typical beam-type MS/MS spectrum. These sequence coverage improvements offer greater characterization potential for whole proteins with no needed experimental changes and could be of large benefit for future high-throughput intact protein analysis.

Thermodynamics and Solubilities of Salts of Dipositive Ions.

ERIC Educational Resources Information Center

Riley, Gary F.; Eberhardt, William H.

1979-01-01

In this general chemistry experiment students calculate changes in free energy of formation of inorganic salts from the free energy of formation of ions. Then they test the conclusions of their calculations by mixing solutions of the ions. (BB)

Cascading process in the flute-mode turbulence of a plasma

NASA Technical Reports Server (NTRS)

Gonzalez, R.; Gomez, D.; Fontan, C. F.; Schifino, A. C. S.; Montagne, R.

1993-01-01

The cascades of ideal invariants in the flute-mode turbulence are analyzed by considering a statistics based on an elementary three-mode coupling process. The statistical dynamics of the system is investigated on the basis of the existence of the physically most important (PMI) triad. When finite ion Larmor radius effects are considered, the PMI triad describes the formation of zonal flows.

Photochemistry, Ion Chemistry, and Haze Formation in Pluto’s Atmosphere

NASA Astrophysics Data System (ADS)

Summers, Michael E.; Stern, S. A.; Gladstone, G. Randal; Young, Leslie A.; Olkin, C. B.; Weaver, H. A.; Cheng, A. F.; Strobel, D. F.; Ennico, K. A.; Kammer, J. A.; Parker, A. H.; Retherford, K. D.; Schindhelm, E.; Singer, K. N.; Steffl, A. J.; Tsang, C. C.; Versteeg, M. H.; Greathouse, T. K.; Linscott, I. R.; Tyler, L. G.; Woods, W. W.; Hinson, D. P.; Parker, J. W.; Renaud, J. P.; Ewell, M.; Lisse, Cary M.

2015-11-01

The detection of ethylene (C2H4) and acetylene (C2H2) in Pluto’s atmosphere provides important ground-truth observations for validating photochemical models of Pluto’s atmosphere. Their detection also confirms the production of precursor chemical compounds involved in the formation of tholins, which are thought to give Pluto’s surface its reddish color. Photochemical models predict many other hydrocarbon and nitrile products, currently undetected, which may also be participants in tholin production on Pluto’s surface or on atmospheric haze particles. The observed atmospheric haze layer extending to altitudes of ~140 km above Pluto’s surface, suggests a global and very robust process of atmospheric particle nucleation, growth, and sedimentation onto Pluto’s surface. The high altitude extent of the haze layer suggests that the nucleation process begins above the expected altitude range where hydrocarbons become supersaturated (below ~30 km altitude). This situation may be analogous to that in Titan’s atmosphere, wherein nucleation and aerosol growth is directly related to large negative ion production. In the case of Pluto, this means that nucleation may occur at altitudes as high as 1200 km altitude where ionization in Pluto’s atmosphere peaks. In this paper we discuss these processes and their implications for haze formation in Pluto’s atmosphere and its deposition onto Pluto’s surface. This work was supported by NASA's New Horizons project.

Formation of Sn–M (M=Fe, Al, Ni) alloy nanoparticles by DC arc-discharge and their electrochemical properties as anodes for Li-ion batteries

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

Gao, Song; Huang, Hao, E-mail: huanghao@dlut.edu.cn; Wu, Aimin

2016-10-15

A direct current arc-discharge method was applied to prepare the Sn–M (M=Fe, Al, Ni) bi-alloy nanoparticles. Thermodynamic is introduced to analyze the energy circumstances for the formation of the nanoparticles during the physical condensation process. The electrochemical properties of as-prepared Sn–M alloy nanoparticles are systematically investigated as anodes of Li-ion batteries. Among them, Sn–Fe nanoparticles electrode exhibits high Coulomb efficiency (about 71.2%) in the initial charge/discharge (257.9 mA h g{sup −1}/366.6 mA h g{sup −1}) and optimal cycle stability (a specific reversible capacity of 240 mA h g{sup −1} maintained after 20 cycles) compared with others. Large differences in themore » electrochemical behaviors indicate that the chemical composition and microstructure of the nanoparticles determine the lithium-ion storage properties and the long-term cyclic stability during the charge/discharge process. - Graphical abstract: The growth mechanism and electrochemical performance of Sn-based alloy nanoparticles. - Highlights: • Thermodynamic analyses of oxides on Sn-M nanoparticles surface. • The relationship between chemical components and electrochemical responses. • Sn-Fe nanoparticles show excellent electrode performance.« less

Precursors and factors affecting formation of haloacetonitriles and chloropicrin during chlor(am)ination of nitrogenous organic compounds in drinking water.

PubMed

Jia, Aiyin; Wu, Chunde; Duan, Yan

2016-05-05

This study investigated the precursors and factors affecting formation of haloacetonitriles (HANs) and chloropicrin (TCNM) during chlorination/chloramination of eight amino acids in the effluent water of V-type clarifying filtration from a drinking water treatment plant. The yields of trichloroacetonitrile (TCAN), dichloroacetonitrile (DCAN) and TCNM were higher during chlorination than during chloramination. Tyrosine and tryptophan produced the greatest amount of DCAN and also generated a small amount of TCAN during chlorination process. Besides, the yields of DCAN were higher than TCNM during chlorination/chloramination. Contact time, Cl2:org-N molar ratios, pH, temperature and bromide ion affected nitrogenous disinfection by-products (N-DBPs) formation during chlorination of tryptophan in different degrees. TCAN, DCAN and TCNM formation showed the increasing and then decreasing with prolonged contact time. Higher Cl2:org-N molar ratios improved N-DBPs formation within a certain range. The pH affected N-DBPs formation differently. HANs increased with increasing pH from 5 to 6 and decreased with increasing pH from 6 to 9, while TCNM increased with increasing pH from 5 to 9. Higher temperatures enhanced TCNM formation, but reduced the formation of TCAN and DCAN. The presence of bromide ions improved the yields of HANs and TCNM and shifted N-DBPs to more brominated ones. Copyright © 2016 Elsevier B.V. All rights reserved.

Identification and characterization of a bacterial hydrosulphide ion channel

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

Czyzewski, Bryan K.; Wang, Da-Neng

2012-10-26

The hydrosulphide ion (HS{sup -}) and its undissociated form, hydrogen sulphide (H{sub 2}S), which are believed to have been critical to the origin of life on Earth, remain important in physiology and cellular signalling. As a major metabolite in anaerobic bacterial growth, hydrogen sulphide is a product of both assimilatory and dissimilatory sulphate reduction. These pathways can reduce various oxidized sulphur compounds including sulphate, sulphite and thiosulphate. The dissimilatory sulphate reduction pathway uses this molecule as the terminal electron acceptor for anaerobic respiration, in which process it produces excess amounts of H{sub 2}S. The reduction of sulphite is a keymore » intermediate step in all sulphate reduction pathways. In Clostridium and Salmonella, an inducible sulphite reductase is directly linked to the regeneration of NAD{sup +}, which has been suggested to have a role in energy production and growth, as well as in the detoxification of sulphite. Above a certain concentration threshold, both H{sub 2}S and HS{sup -} inhibit cell growth by binding the metal centres of enzymes and cytochrome oxidase, necessitating a release mechanism for the export of this toxic metabolite from the cell. Here we report the identification of a hydrosulphide ion channel in the pathogen Clostridium difficile through a combination of genetic, biochemical and functional approaches. The HS{sup -} channel is a member of the formate/nitrite transport family, in which about 50 hydrosulphide ion channels form a third subfamily alongside those for formate (FocA) and for nitrite (NirC). The hydrosulphide ion channel is permeable to formate and nitrite as well as to HS{sup -} ions. Such polyspecificity can be explained by the conserved ion selectivity filter observed in the channel's crystal structure. The channel has a low open probability and is tightly regulated, to avoid decoupling of the membrane proton gradient.« less

Energetics of acclimation to NaCl by submerged, anoxic rice seedlings

PubMed Central

Kurniasih, Budiastuti; Greenway, Hank; Colmer, Timothy David

2017-01-01

Background and aims Our aim was to elucidate how plant tissues under a severe energy crisis cope with imposition of high NaCl, which greatly increases ion fluxes and hence energy demands. The energy requirements for ion regulation during combined salinity and anoxia were assessed to gain insights into ion transport processes in the anoxia-tolerant coleoptile of rice. Methods We studied the combined effects of anoxia plus 50 or 100 mm NaCl on tissue ions and growth of submerged rice (Oryza sativa) seedlings. Excised coleoptiles allowed measurements in aerated or anoxic conditions of ion net fluxes and O2 consumption or ethanol formation and by inference energy production. Key Results Over 80 h of anoxia, coleoptiles of submerged intact seedlings grew at 100 mm NaCl, but excised coleoptiles, with 50 mm exogenous glucose, survived only at 50 mm NaCl, possibly due to lower energy production with glucose than for intact coleoptiles with sucrose as substrate. Rates of net uptake of Na+ and Cl− by coleoptiles in anoxia were about half those in aerated solution. Ethanol formation in anoxia and O2 uptake in aerobic solution were each increased by 13–15 % at 50 mm NaCl, i.e. ATP formation was stimulated. For acclimation to 50 mm NaCl, the anoxic tissues used only 25 % of the energy that was expended by aerobic tissues. Following return of coleoptiles to aerated non-saline solution, rates of net K+ uptake recovered to those in continuously aerated solution, demonstrating there was little injury during anoxia with 50 mm NaCl. Conclusion Rice seedlings survive anoxia, without the coleoptile incurring significant injury, even with the additional energy demands imposed by NaCl (100 mm when intact, 50 mm when excised). Energy savings were achieved in saline anoxia by less coleoptile growth, reduced ion fluxes as compared to aerobic coleoptiles and apparent energy-economic ion transport systems. PMID:27694332

Fast decolorization of azo methyl orange via heterogeneous Fenton and Fenton-like reactions using alginate-Fe2+/Fe3+ films as catalysts.

PubMed

Quadrado, Rafael F N; Fajardo, André R

2017-12-01

The efficiency of Fenton and Fenton-like processes can be seriously affected by the continuous loss of iron ions and by the formation of solid sludge. Here, alginate (Alg) films were synthesized to stabilize iron ions (Fe 2+ and Fe 3+ ) and to enhance their catalytic activities towards the decolorization of methyl orange via heterogeneous Fenton and Fenton-like processes. Iron ions were ionically bond to the Alg molecules resulting in a three-dimensional network with specific structural and morphological features according to the valence states of iron. Our results demonstrated that both Alg-Fe 2+ and Alg-Fe 3+ films show highlighted catalytic activity for the decolorization of MO and high decolorization rates. Reuse experiments demonstrated that both films could be employed in at least five consecutive decolorization processes without losing their catalytic efficiency or stability. Taken together, our findings reveal that the Alg-Fe 2+ and Alg-Fe 3+ films may be suitable low-cost catalysts in heterogeneous Fenton and Fenton-like processes. Copyright © 2017 Elsevier Ltd. All rights reserved.

The OI/1S/ state - Its quenching by O2 and formation by the dissociative recombination of vibrationally excited O2/+/ ions

NASA Technical Reports Server (NTRS)

Zipf, E. C.

1979-01-01

The rate coefficient for the quenching of metastable O(1S) atoms by O2 was measured as a function of temperature from 250 to 550 K. The resulting Arrhenius expression correlates well with previous laboratory work. It is suggested that the much larger value of the rate coefficient inferred from an analysis of artificial auroral experiment, Precede, may be explained by overestimation of the contribution of O(1S) production from O2(+) dissociative recombination. The possibility that O(1S) atoms are produced only by the dissociative recombination of vibrationally excited O2(+) ions is examined; such excited ions would not exist in the Precede experiment because of the rapid cooling of the ions by resonant charge transfer processes.

A fluorescent nanosensor based on graphene quantum dots-aptamer probe and graphene oxide platform for detection of lead (II) ion.

PubMed

Qian, Zhao Sheng; Shan, Xiao Yue; Chai, Lu Jing; Chen, Jian Rong; Feng, Hui

2015-06-15

The sensitive detection of heavy metal ions in the organism and aquatic ecosystem using nanosensors based on environment friendly and biocompatible materials still remains a challenge. A fluorescent turn-on nanosensor for lead (II) detection based on biocompatible graphene quantum dots and graphene oxide by employment of Pb(2+)-induced G-quadruplex formation was reported. Graphene quantum dots with high quantum yield, good biocompatibility were prepared and served as the fluorophore of Pb(2+) probe. Fluorescence turn-off of graphene quantum dots is easily achieved through efficient photoinduced electron transfer between graphene quantum dots and graphene oxide, and subsequent fluorescence turn-on process is due to the formation of G-quadraplex aptamer-Pb(2+) complex triggered by the addition of Pb(2+). This nanosensor can distinguish Pb(2+) ion from other ions with high sensitivity and good reproducibility. The detection method based on this nanosensor possesses a fast response time of one minute, a broad linear span of up to 400.0 nM and ultralow detection limit of 0.6 nM. Copyright © 2015 Elsevier B.V. All rights reserved.

Synergism of Saturn, Enceladus and Titan and Formation of HCNO Prebiotic Molecules

NASA Technical Reports Server (NTRS)

Sittler, Edward C.; Cooper, John F.

2011-01-01

Saturn as a system has two very exotic moons Titan and Enceladus. Titan, taking in energy from Saturn's magnetosphere, solar UV irradiation, and cosmic rays, can make HCN based molecules as discussed in earlier paper by Raulin and Owen. Space radiation effects at both moons, and as coupled by the Saturn magnetosphere, could cause an unexpected series of events potentially leading to prebiotic chemical evolution at Titan with HCNO from magnetospheric oxygen as the new ingredient. The "Old Faithful" model suggests that Enceladus, highly irradiated by Saturn magnetospheric electrons and thus having a source of chemical energy from radiolytic gas production, has episodic ejections of water vapor, carbon dioxide, and various hydrocarbons into Saturn's magnetosphere. The hydrocarbons do not survive transport through the plasma environment, but oxygen ions from Enceladus water molecules become the dominant ion species in the outer magnetosphere. At Titan, Cassini discovered that 1) keV oxygen ions, evidently from Enceladus, are bombarding Titan's upper atmosphere and 2) heavy positive and negative ions exist in significant abundances within Titan's upper atmosphere. Initial models of heavy ion formation in Titan's upper atmosphere invoked polymerization of aromatics such as benzenes and their radicals to make polycyclic aromatic hydrocarbons (PAH) , while a more recent model by Sittler et al., has raised the possibility of carbon chains forming from the polymerization of acetylene and its radicals to make fullerenes. Laboratory measurements indicate that fullerenes, which are hollow carbon shells, can trap keV oxygen ions. Clustering of the fullerenes with aerosol mixtures from PAHs and the dominant nitrogen molecules could form larger aerosols enriched in trapped oxygen. Aerosol precipitation could then convey these chemically complex structures deeper into the atmosphere and to the moon surface. Ionizing solar UV, magnetospheric electron, and galactic cosmic ray irradiation would provide further energy for processing into more complex organic forms. Further ionizing irradiation from cosmic rays deep in the atmosphere "tho lin" molecules are produced with all the molecular components present from which prebiotic organic molecules can form. This synergy of Saturn system, exogenic irradiation, and molecular processes provides a potential pathway for accumulation of prebiotic chemistry on the surface of Titan. Since fullerenes are also thought to exist in interstellar space, similar processes may also occur there to seed molecular clouds with prebiotic chemical species. We will also discuss possible future laboratory experiments that could be done to investigate fullerene formation at Titan and the trapping of oxygen in fullerenes.

Ultrafast quantum control of ionization dynamics in krypton.

PubMed

Hütten, Konrad; Mittermair, Michael; Stock, Sebastian O; Beerwerth, Randolf; Shirvanyan, Vahe; Riemensberger, Johann; Duensing, Andreas; Heider, Rupert; Wagner, Martin S; Guggenmos, Alexander; Fritzsche, Stephan; Kabachnik, Nikolay M; Kienberger, Reinhard; Bernhardt, Birgitta

2018-02-19

Ultrafast spectroscopy with attosecond resolution has enabled the real time observation of ultrafast electron dynamics in atoms, molecules and solids. These experiments employ attosecond pulses or pulse trains and explore dynamical processes in a pump-probe scheme that is selectively sensitive to electronic state of matter via photoelectron or XUV absorption spectroscopy or that includes changes of the ionic state detected via photo-ion mass spectrometry. Here, we demonstrate how the implementation of combined photo-ion and absorption spectroscopy with attosecond resolution enables tracking the complex multidimensional excitation and decay cascade of an Auger auto-ionization process of a few femtoseconds in highly excited krypton. In tandem with theory, our study reveals the role of intermediate electronic states in the formation of multiply charged ions. Amplitude tuning of a dressing laser field addresses different groups of decay channels and allows exerting temporal and quantitative control over the ionization dynamics in rare gas atoms.

LEC GaAs for integrated circuit applications

NASA Technical Reports Server (NTRS)

Kirkpatrick, C. G.; Chen, R. T.; Homes, D. E.; Asbeck, P. M.; Elliott, K. R.; Fairman, R. D.; Oliver, J. D.

1984-01-01

Recent developments in liquid encapsulated Czochralski techniques for the growth of semiinsulating GaAs for integrated circuit applications have resulted in significant improvements in the quality and quantity of GaAs material suitable for device processing. The emergence of high performance GaAs integrated circuit technologies has accelerated the demand for high quality, large diameter semiinsulating GaAs substrates. The new device technologies, including digital integrated circuits, monolithic microwave integrated circuits and charge coupled devices have largely adopted direct ion implantation for the formation of doped layers. Ion implantation lends itself to good uniformity and reproducibility, high yield and low cost; however, this technique also places stringent demands on the quality of the semiinsulating GaAs substrates. Although significant progress was made in developing a viable planar ion implantation technology, the variability and poor quality of GaAs substrates have hindered progress in process development.

The Effect of Complex Formation upon the Redox Potentials of Metallic Ions. Cyclic Voltammetry Experiments.

ERIC Educational Resources Information Center

Ibanez, Jorge G.; And Others

1988-01-01

Describes experiments in which students prepare in situ soluble complexes of metal ions with different ligands and observe and estimate the change in formal potential that the ion undergoes upon complexation. Discusses student formation and analysis of soluble complexes of two different metal ions with the same ligand. (CW)

Fluoride and apatite formation in vivo and in vitro.

PubMed

Aoba, Takaaki; Shimazu, Yoshihito; Taya, Yuji; Soeno, Yuuichi; Sato, Kaori; Miake, Yasuo

2003-01-01

In recent years, the biomineralization process has attracted much interest from academics and industries for potential technological application. The rule in biomineralization is to have a variety of interfaces and surfaces which can act as nucleators. The ultimate step in any biomineralization process, i.e. the deposition of mineral, must conform to the driving forces operating on the system. A new paradigm in the assessment of the driving force for biomineralization is that a variety of ions existing in the mineralizing milieu are not a bystander, but are instead an active player that directly regulates the precipitation process and nature of biogenic apatites. Thus, the most putative stoichiometric model of a biomineral is (Ca)(5-x)(Mg)q(Na)u(HPO4)v(CO3)w(PO4)(3-y)(OH,F)(1-z). Fluoride participates in many aspects of calcium phosphate formation in vivo and has enormous effects on its process and on the nature and properties of the final products. In the development of biogenic apatites, fluoride ion in the mineralizing media is supposed to accelerate the hydrolysis of acidic precursor(s) and increase the growth rates by augmenting the driving force for precipitation. Inhibitory activities of ions and molecules are related to their adsorption onto the apatite surfaces. From theoretical and practical points of view, it is of paramount importance to elucidate and predict the effect and outcome of fluoride (accelerator) and inhibitors of biological relevance, because of their use in combination for healthcare in dentistry and medicine, e.g. prevention of dental caries and calculus deposition and in the formulation of antiosteoporosis treatments.

Fast calculator for X-ray emission due to Radiative Recombination and Radiative Electron Capture in relativistic heavy-ion atom collisions

NASA Astrophysics Data System (ADS)

Herdrich, M. O.; Weber, G.; Gumberidze, A.; Wu, Z. W.; Stöhlker, Th.

2017-10-01

In experiments with highly charged, fast heavy ions the Radiative Recombination (RR) and Radiative Electron Capture (REC) processes have significant cross sections in an energy range of up to a few GeV / u . They are some of the most important charge changing processes in collisions of heavy ions with atoms and electrons, leading to the emission of a photon along with the formation of the ground and excited atomic states. Hence, for the understanding and planning of experiments, in particular for X-ray spectroscopy studies, at accelerator ring facilities, such as FAIR, it is crucial to have a good knowledge of these cross sections and the associated radiation characteristics. In the frame of this work a fast calculator, named RECAL, for the RR and REC process is presented and its capabilities are demonstrated with the analysis of a recently conducted experiment at the Experimental Storage Ring (ESR) at the GSI Helmholtz Center for Heavy Ion Research in Darmstadt, Germany. A method is presented to determine unknown X-ray emission cross sections via normalization of the recorded spectra to REC cross sections calculated by RECAL.

Modeling of Inner Magnetosphere Coupling Processes

NASA Technical Reports Server (NTRS)

Khazanov, George V.

2011-01-01

The Ring Current (RC) is the biggest energy player in the inner magnetosphere. It is the source of free energy for Electromagnetic Ion Cyclotron (EMIC) wave excitation provided by a temperature anisotropy of RC ions, which develops naturally during inward E B convection from the plasmasheet. The cold plasmasphere, which is under the strong influence of the magnetospheric electric field, strongly mediates the RC-EMIC wave-particle-coupling process and ultimately becomes part of the particle and energy interplay. On the other hand, there is a strong influence of the RC on the inner magnetospheric electric and magnetic field configurations and these configurations, in turn, are important to RC dynamics. Therefore, one of the biggest needs for inner magnetospheric research is the continued progression toward a coupled, interconnected system with the inclusion of nonlinear feedback mechanisms between the plasma populations, the electric and magnetic fields, and plasma waves. As we clearly demonstrated in our studies, EMIC waves strongly interact with electrons and ions of energies ranging from approx.1 eV to approx.10 MeV, and that these waves strongly affect the dynamics of resonant RC ions, thermal electrons and ions, and the outer RB relativistic electrons. As we found, the rate of ion and electron scattering/heating in the Earth's magnetosphere is not only controlled by the wave intensity-spatial-temporal distribution but also strongly depends on the spectral distribution of the wave power. The latter is also a function of the plasmaspheric heavy ion content, and the plasma density and temperature distributions along the magnetic field lines. The above discussion places RC-EMIC wave coupling dynamics in context with inner magnetospheric coupling processes and, ultimately, relates RC studies with plasmaspheric and Superthermal Electrons formation processes as well as with outer RB physics.

Comparative Study of Chromium(VI) Removal from Simulated Industrial Wastewater with Ion Exchange Resins

NASA Astrophysics Data System (ADS)

Li, Xiaofan; Shi, Shaoyuan; Cao, Hongbin; Li, Yuping; Xu, Dongyao

2018-06-01

Ion exchange process is an alternative technique for removal of heavy metal ions from industrial wastewater. The main aim of this paper is to evaluate the performance of different ion exchange resins in removing Cr(VI) from wastewater. The effects of resin types and dosage, initial pH were examined systemically. The results showed that the performance of different resins had obvious difference for the removal of the Cr(VI) ions, in which the type of functional groups of the resin was the main factor. The SEM images indicated that the micro-morphology of resins before and after adsorption of the Cr(VI) presented a little difference. The EDS analysis showed that the adsorbed Cr(VI) was uniformly distributed at the surface of the resins with formation of oxygen-containing groups. The adsorption isotherms and kinetics of Cr(VI) by the different resins are also discussed.

Proceeding of the 18th Intl. Workshop on Inelastic Ion-Surface Collisions (IISC-18)

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

Reinhold, Carlos O; Krstic, Predrag S; Meyer, Fred W

2011-01-01

The main topics of this proceedings were: (1) Energy loss of particles at surfaces; (2) Scattering of atoms, ions, molecules and clusters; (3) Charge exchange between particles and surfaces; (4) Ion induced desorption, electronic and kinetic sputtering; (5) Defect formation, surface modification and nanostructuring; (6) Electron, photon and secondary ion emission due to particle impact on surfaces; (7) Sputtering, fragmentation, cluster and ion formation in SIMS and SNMS; (8) Cluster/molecular and highly charged ion beams; and (9) Laser induced desorption.

Real-Time Study of the Interaction between G-Rich DNA Oligonucleotides and Lead Ion on DNA Tetrahedron-Functionalized Sensing Platform by Dual Polarization Interferometry.

PubMed

Wang, Shuang; Lu, Shasha; Zhao, Jiahui; Huang, Jianshe; Yang, Xiurong

2017-11-29

G-quadruplex plays roles in numerous physiological and pathological processes of organisms. Due to the unique properties of G-quadruplex (e.g., forming G4/hemin complexes with catalytic activity and electron acceptability, binding with metal ions, proteins, fluorescent ligands, and so on), it has been widely applied in biosensing. But the formation process of G-quadruplex is not yet fully understood. Here, a DNA tetrahedron platform with higher reproducibility, regenerative ability, and time-saving building process was coupled with dual polarization interferometry technique for the real-time and label-free investigation of the specific interaction process of guanine-rich singled-stranded DNA (G-rich ssDNA) and Pb 2+ . The oriented immobilization of probes greatly decreased the spatial hindrance effect and improved the accessibility of the probes to the Pb 2+ ions. Through real-time monitoring of the whole formation process of the G-quadruplex, we speculated that the probes on the tetrahedron platform initially stood on the sensing surface with a random coil conformation, then the G-rich ssDNA preliminarily formed unstable G-quartets by H-bonding and cation binding, subsequently forming a completely folded and stable quadruplex structure through relatively slow strand rearrangements. On the basis of these studies, we also developed a novel sensing platform for the specific and sensitive determination of Pb 2+ and its chelating agent ethylenediaminetetraacetic acid. This study not only provides a proof-of-concept for conformational dynamics of G-quadruplex-related drugs and pathogenes, but also enriches the biosensor tools by combining nanomaterial with interfaces technique.

Parallel collisionless shocks forming in simulations of the LAPD experiment

NASA Astrophysics Data System (ADS)

Weidl, Martin S.; Jenko, Frank; Niemann, Chris; Winske, Dan

2016-10-01

Research on parallel collisionless shocks, most prominently occurring in the Earth's bow shock region, has so far been limited to satellite measurements and simulations. However, the formation of collisionless shocks depends on a wide range of parameters and scales, which can be accessed more easily in a laboratory experiment. Using a kJ-class laser, an ongoing experimental campaign at the Large Plasma Device (LAPD) at UCLA is expected to produce the first laboratory measurements of the formation of a parallel collisionless shock. We present hybrid kinetic/MHD simulations that show how beam instabilities in the background plasma can be driven by ablating carbon ions from a target, causing non-linear density oscillations which develop into a propagating shock front. The free-streaming carbon ions can excite both the resonant right-hand instability and the non-resonant firehose mode. We analyze their respective roles and discuss optimizing their growth rates to speed up the process of shock formation.

Dissociative properties of 1,1,1,2-tetrafluoroethane obtained by computational chemistry

NASA Astrophysics Data System (ADS)

Hayashi, Toshio; Ishikawa, Kenji; Sekine, Makoto; Hori, Masaru

2018-06-01

The electronic properties and dissociative channels of the alternative to the CCl2F2 (CFC-12) refrigerant, 1,1,1,2-tetrafluoroethane (HFC-134a) with a low global warming potential (GWP, 1430), were revealed by computational chemistry. The results show that CF3 + and CHF2 + ions are mainly produced by ionization. The CF3CH2 + ion is produced by ion pair formation and by direct ionization in the energy region higher than approximately 15 eV, but also in small amounts by the ionization of the dissociated CF3CH2 radical. This information is useful for etching process engineers in leading-edge semiconductor manufacturing.

Measuring radiation damage dynamics by pulsed ion beam irradiation: 2016 project annual report

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

Kucheyev, Sergei O.

2017-01-04

The major goal of this project is to develop and demonstrate a novel experimental approach to access the dynamic regime of radiation damage formation in nuclear materials. In particular, the project exploits a pulsed-ion-beam method in order to gain insight into defect interaction dynamics by measuring effective defect interaction time constants and defect diffusion lengths. For Year 3, this project had the following two major milestones: (i) the demonstration of the measurement of thermally activated defect-interaction processes by pulsed ion beam techniques and (ii) the demonstration of alternative characterization techniques to study defect dynamics. As we describe below, both ofmore » these milestones have been met.« less

Effects of polycrystallinity in nano patterning by ion-beam sputtering

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

Yoon, Sun Mi; Kim, J.-S., E-mail: jskim@sm.ac.kr; Yoon, D.

Employing graphites with distinctly different mean grain sizes, we study the effects of polycrystallinity on the pattern formation by ion-beam sputtering. The grains influence the growth of the ripples in a highly anisotropic fashion; both the mean uninterrupted ripple length along the ridges and the surface width depend on the mean size of the grains, which is attributed to the large sputter yield at the grain boundary compared with that on the terrace. In contrast, the ripple wavelength does not depend on the mean size of the grains, indicating that the mass transport across the grain boundaries should efficiently proceedmore » by both thermal diffusion and ion-induced processes.« less

Oxidative Ionization Under Certain Negative-Ion Mass Spectrometric Conditions

NASA Astrophysics Data System (ADS)

Hassan, Isra; Pavlov, Julius; Errabelli, Ramu; Attygalle, Athula B.

2017-02-01

1,4-Hydroquinone and several other phenolic compounds generate (M - 2) -• radical-anions, rather than deprotonated molecules, under certain negative-ion mass spectrometric conditions. In fact, spectra generated under helium-plasma ionization (HePI) conditions from 1,4-hydroquinone and 1,4-benzoquinone (by electron capture) were practically indistinguishable. Because this process involves a net loss of H• and H+, it can be termed oxidative ionization. The superoxide radical-anion (O2 -•), known to be present in many atmospheric-pressure plasma ion sources operated in the negative mode, plays a critical role in the oxidative ionization process. The presence of a small peak at m/z 142 in the spectrum of 1,4-hydroquinone, but not in that of 1,4-benzoquinone, indicated that the initial step in the oxidative ionization process is the formation of an O2 -• adduct. On the other hand, under bona fide electrospray ionization (ESI) conditions, 1,4-hydroquinone generates predominantly an (M - 1) - ion. It is known that at sufficiently high capillary voltages, corona discharges begin to occur even in an ESI source. At lower ESI capillary voltages, deprotonation predominates; as the capillary voltage is raised, the abundance of O2 -• present in the plasma increases, and the source in turn increasingly behaves as a composite ESI/APCI source. While maintaining post-ionization ion activation to a minimum (to prevent fragmentation), and monitoring the relative intensities of the m/z 109 (due to deprotonation) and 108 (oxidative ionization) peaks recorded from 1,4-hydroquinone, a semiquantitative estimation of the APCI contribution to the overall ion-generation process can be obtained.

Self-organized microstructures induced by MeV ion beam on silicon surface

NASA Astrophysics Data System (ADS)

Ahmad, Muthanna

2017-02-01

Micro patterning of self organized structure on silicon surface is induced by ion implantation of energetic (MeV) copper ions. This work reports for the first time the ability of using energetic ions for producing highly ordered ripples and dots of micro sizes. The experiments are realized at the Tandem ion beam accelerator (3 MV) at the IBA laboratory of the Atomic Energy Commission of Syria. Similarly to nano patterning formed by slow ions, the formation of micro patterned structures dots and ripples is observed to be depending on the angle of ion beam incidence, energy and ion fluence. The observation of such microstructures formation is limited to a range of ion energies (few MeV) at fluence higher than 1.75 × 1017 ion cm-2. The patterned surface layer is completely amorphousized by the ion implantation. Shadowing effect is observed in the formation of microripples and superstructures in the top of ripples. The superstructure develops new morphology that is not observed before. This morphology has butterfly shape with symmetry in its structure.

Nanocrystalline SnO2 formation by oxygen ion implantation in tin thin films

NASA Astrophysics Data System (ADS)

Kondkar, Vidya; Rukade, Deepti; Kanjilal, Dinakar; Bhattacharyya, Varsha

2018-03-01

Metallic tin thin films of thickness 100 nm are deposited on fused silica substrates by thermal evaporation technique. These films are implanted with 45 keV oxygen ions at fluences ranging from 5 × 1015 to 5 × 1016 ions cm-2. The energy of the oxygen ions is calculated using SRIM in order to form embedded phases at the film-substrate interface. Post-implantation, films are annealed using a tube furnace for nanocrystalline tin oxide formation. These films are characterized using x-ray diffraction, Raman spectroscopy, UV-vis spectroscopy and photoluminescence spectroscopy. XRD and Raman spectroscopy studies reveal the formation of single rutile phase of SnO2. The size of the nanocrystallites formed decreases with an increase in the ion fluence. The nanocrystalline SnO2 formation is also confirmed by UV-vis and photoluminescence spectroscopy.

Investigation of mechanism of anode plasma formation in ion diode with dielectric anode

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

Pushkarev, A., E-mail: aipush@mail.ru

The results of investigation of the anode plasma formation in a diode with a passive anode in magnetic insulation mode are presented. The experiments have been conducted using the BIPPAB-450 ion accelerator (350–400 kV, 6–8 kA, 80 ns) with a focusing conical diode with B{sub r} external magnetic field (a barrel diode). For analysis of plasma formation at the anode and the distribution of the ions beam energy density, infrared imaging diagnostics (spatial resolution of 1–2 mm) is used. For analysis of the ion beam composition, time-of-flight diagnostics (temporal resolution of 1 ns) were used. Our studies have shown that when the magnetic induction inmore » the A-C gap is much larger than the critical value, the ion beam energy density is close to the one-dimensional Child-Langmuir limit on the entire working surface of the diode. Formation of anode plasma takes place only by the flashover of the dielectric anode surface. In this mode, the ion beam consists primarily of singly ionized carbon ions, and the delay of the start of formation of the anode plasma is 10–15 ns. By reducing the magnetic induction in the A-C gap to a value close to the critical one, the ion beam energy density is 3–6 times higher than that calculated by the one-dimensional Child-Langmuir limit, but the energy density of the ion beam is non-uniform in cross-section. In this mode, the anode plasma formation occurs due to ionization of the anode material with accelerated electrons. In this mode, also, the delay in the start of the formation of the anode plasma is much smaller and the degree of ionization of carbon ions is higher. In all modes occurred effective suppression of the electronic component of the total current, and the diode impedance was 20–30 times higher than the values calculated for the mode without magnetic insulation of the electrons. The divergence of the ion beam was 4.5°–6°.« less

Improvement on electrical conductivity and electron field emission properties of Au-ion implanted ultrananocrystalline diamond films by using Au-Si eutectic substrates

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

Sankaran, K. J.; Institute for Materials Research; Sundaravel, B.

2015-08-28

In the present work, Au-Si eutectic layer was used to enhance the electrical conductivity/electron field emission (EFE) properties of Au-ion implanted ultrananocrystalline diamond (Au-UNCD) films grown on Si substrates. The electrical conductivity was improved to a value of 230 (Ω cm){sup −1}, and the EFE properties was enhanced reporting a low turn-on field of 2.1 V/μm with high EFE current density of 5.3 mA/cm{sup 2} (at an applied field of 4.9 V/μm) for the Au-UNCD films. The formation of SiC phase circumvents the formation of amorphous carbon prior to the nucleation of diamond on Si substrates. Consequently, the electron transport efficiency of themore » UNCD-to-Si interface increases, thereby improving the conductivity as well as the EFE properties. Moreover, the salient feature of these processes is that the sputtering deposition of Au-coating for preparing the Au-Si interlayer, the microwave plasma enhanced chemical vapor deposition process for growing the UNCD films, and the Au-ion implantation process for inducing the nanographitic phases are standard thin film preparation techniques, which are simple, robust, and easily scalable. The availability of these highly conducting UNCD films with superior EFE characteristics may open up a pathway for the development of high-definition flat panel displays and plasma devices.« less

Role of mineralization inhibitors in the regulation of hard tissue biomineralization: relevance to initial enamel formation and maturation

PubMed Central

Margolis, Henry C.; Kwak, Seo-Young; Yamazaki, Hajime

2014-01-01

Vertebrate mineralized tissues, i.e., enamel, dentin, cementum, and bone, have unique hierarchical structures and chemical compositions. Although these tissues are similarly comprised of a crystalline calcium apatite mineral phase and a protein component, they differ with respect to crystal size and shape, level and distribution of trace mineral ions, the nature of the proteins present, and their relative proportions of mineral and protein components. Despite apparent differences, mineralized tissues are similarly derived by highly concerted extracellular processes involving matrix proteins, proteases, and mineral ion fluxes that collectively regulate the nucleation, growth and organization of forming mineral crystals. Nature, however, provides multiple ways to control the onset, rate, location, and organization of mineral deposits in developing mineralized tissues. Although our knowledge is quite limited in some of these areas, recent evidence suggests that hard tissue formation is, in part, controlled through the regulation of specific molecules that inhibit the mineralization process. This paper addresses the role of mineralization inhibitors in the regulation of biological mineralization with emphasis on the relevance of current findings to the process of amelogenesis. Mineralization inhibitors can also serve to maintain driving forces for calcium phosphate precipitation and prevent unwanted mineralization. Recent evidence shows that native phosphorylated amelogenins have the capacity to prevent mineralization through the stabilization of an amorphous calcium phosphate precursor phase, as observed in vitro and in developing teeth. Based on present findings, the authors propose that the transformation of initially formed amorphous mineral deposits to enamel crystals is an active process associated with the enzymatic processing of amelogenins. Such processing may serve to control both initial enamel crystal formation and subsequent maturation. PMID:25309443

Near surface silicide formation after off-normal Fe-implantation of Si(001) surfaces

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

Khanbabaee, B., E-mail: khanbabaee@physik.uni-siegen.de; Pietsch, U.; Lützenkirchen-Hecht, D.

We report on formation of non-crystalline Fe-silicides of various stoichiometries below the amorphized surface of crystalline Si(001) after irradiation with 5 keV Fe{sup +} ions under off-normal incidence. We examined samples prepared with ion fluences of 0.1 × 10{sup 17} and 5 × 10{sup 17} ions cm{sup −2} exhibiting a flat and patterned surface morphology, respectively. Whereas the iron silicides are found across the whole surface of the flat sample, they are concentrated at the top of ridges at the rippled surface. A depth resolved analysis of the chemical states of Si and Fe atoms in the near surface region was performed by combining X-raymore » photoelectron spectroscopy and X-ray absorption spectroscopy (XAS) using synchrotron radiation. The chemical shift and the line shape of the Si 2p core levels and valence bands were measured and associated with the formation of silicide bonds of different stoichiometric composition changing from an Fe-rich silicides (Fe{sub 3}Si) close to the surface into a Si-rich silicide (FeSi{sub 2}) towards the inner interface to the Si(001) substrate. This finding is supported by XAS analysis at the Fe K-edge which shows changes of the chemical environment and the near order atomic coordination of the Fe atoms in the region close to surface. Because a similar Fe depth profile has been found for samples co-sputtered with Fe during Kr{sup +} ion irradiation, our results suggest the importance of chemically bonded Fe in the surface region for the process of ripple formation.« less

Ion-neutral chemistry at ultralow energies:Dynamics of reactive collisions between laser-cooled Ca+ or Ba+ ions and Rb atoms in an ion-atom hybrid trap

NASA Astrophysics Data System (ADS)

Dulieu, O.; Hall, F. H. J.; Eberle, P.; Hegi, G.; Raoult, M.; Aymar, M.; Willitsch, S.

2013-05-01

Cold chemical reactions between laser-cooled Ca+ or Ba+ ions and Rb atoms were studied in an ion-atom hybrid trap. Reaction rate constants were determined in the collision energy range Ecoll /kB = 20 mK-20 K. Product branching ratios were studied using resonant-excitation mass spectrometry. The dynamics of the reactive processes including the radiative formation of CaRb+ and BaRb+ molecular ions has been analyzed using accurate potential energy curves and quantum-scattering calculations for the radiative channels. It is shown that the energy dependence of the reaction rates is governed by long-range interactions, while its magnitude is determined by short-range non-adiabatic and radiative couplings. The quantum character of the collisions is predicted to manifest itself in the occurrence of narrow shape resonances at well-defined collision energies. The present results highlight both universal and system-specific phenomena in cold ion-neutral collisions. This work was supported by the Swiss National Science Foundation and the COST Action ''Ion Traps for Tomorrow's Applications''.

Photo-Cross-Linked Anion Exchange Membranes with Improved Water Management and Conductivity

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

Ertem, S. Piril; Tsai, Tsung-Han; Donahue, Melissa M.

Robust, cross-linked anion exchange membranes (AEMs) were prepared from solvent-processable polyisoprene- ran -poly(vinylbenzyltrimethylammonium chloride) (PI- ran -P- [VBTMA][Cl]) ionomers via photoinitiated thiol - ene chem- istry. Two series of membranes were prepared choosing two dithiol cross-linkers, 1,10-decanedithiol and 2,2 ' - (ethylenedioxy)diethanethiol, selected for their di ff erent hydro- phobicities. A strong correlation was found between the choice of dithiol cross-linker, water uptake, morphology, and the ion conductivity of the membranes. Results were compared with previous fi ndings of thermally cross-linked AEMs from analogous random copolymers. Comparably high chloride ion conductivities were obtained at low to moderate ion exchange capacitiesmore » (IECs) with signi fi cantly low water uptake values. It was shown that by choosing a hydrophilic cross-linker ion cluster formation may be suppressed and ion conduction improved. This study highlights that it is possible to promote ion conductivities for low IEC membranes (<1 mmol/g) by forming well- connected, ion conducting network morphology. This observation paves the way for mechanically robust ion conducting membranes with enhanced conductivities and better water management.« less

Spontaneous Ion Depletion and Accumulation Phenomena Induced by Imbibition through Permselective Medium

NASA Astrophysics Data System (ADS)

Lee, Hyomin; Jung, Yeonsu; Park, Sungmin; Kim, Ho-Young; Kim, Sung Jae

2016-11-01

Generally, an ion depletion region near a permselective medium is induced by predominant ion flux through the medium. External electric field or hydraulic pressure has been reported as the driving forces. Among these driving forces, an imbibition through the nanoporous medium was chosen as the mechanism to spontaneously generate the ion depletion region. The water-absorbing process leads to the predominant ion flux so that the spontaneous formation of the ion depletion zone is expected even if there are no additional driving forces except for the inherent capillary action. In this presentation, we derived the analytical solutions using perturbation method and asymptotic analysis for the spontaneous phenomenon. Using the analysis, we found that there is also spontaneous accumulation regime depending on the mobility of dissolved electrolytic species. Therefore, the rigorous analysis of the spontaneous ion depletion and accumulation phenomena would provide a key perspective for the control of ion transportation in nanofluidic system such as desalinator, preconcentrator, and energy harvesting device, etc. Samsung Research Funding Center of Samsung Electronics (SRFC-MA1301-02) and BK21 plus program of Creative Research Engineer Development IT, Seoul National University.

Tandem mass spectrometry of large biomolecule ions by blackbody infrared radiative dissociation.

PubMed

Price, W D; Schnier, P D; Williams, E R

1996-03-01

A new method for the dissociation of large ions formed by electrospray ionization is demonstrated. Ions trapped in a Fourier transform mass spectrometer at pressures below 10(-)(8) Torr are dissociated by elevating the vacuum chamber to temperatures up to 215 °C. Rate constants for dissociation are measured and found to be independent of pressure below 10(-)(7) Torr. This indicates that the ions are activated by absorption of blackbody radiation emitted from the chamber walls. Dissociation efficiencies as high as 100% are obtained. There is no apparent mass limit to this method; ions as large as ubiquitin (8.6 kDa) are readily dissociated. Thermally stable ions, such as melittin 3+ (2.8 kDa), did not dissociate at temperatures up to 200 °C. This method is highly selective for low-energy fragmentation, from which limited sequence information can be obtained. From the temperature dependence of the dissociation rate constants, Arrhenius activation energies in the low-pressure limit are obtained. The lowest energy dissociation processes for the singly and doubly protonated ions of bradykinin are loss of NH(3) and formation of the b(2)/y(7) complementary pair, with activation energies of 1.3 and 0.8 eV, respectively. No loss of NH(3) is observed for the doubly protonated ion; some loss of H(2)O occurs. These results show that charge-charge interactions not only lower the activation energy for dissociation but also can dramatically change the fragmentation, most likely through changes in the gas-phase conformation of the ion. Dissociation of ubiquitin ions produces fragmentation similar to that obtained by IRMPD and SORI-CAD. Higher charge state ions dissociate to produce y and b ions; the primary fragmentation process for low charge state ions is loss of H(2)O.

Structural difference rule for amorphous alloy formation by ion mixing

NASA Technical Reports Server (NTRS)

Liu, B.-X.; Johnson, W. L.; Nicolet, M.A.; Lau, S. S.

1983-01-01

A rule is formulated which establishes a sufficient condition that an amorphous binary alloy will be formed by ion mixing of multilayered samples when the two constituent metals are of different crystalline structure, regardless of their atomic sizes and electronegativities. The rule is supported by the experimental results obtained on six selected binary metal systems, as well as by the previous data reported in the literature. The amorphization mechanism is discussed in terms of the competition between two different structures resulting in frustration of the crystallization process.

Electrospray neutralization process and apparatus for generation of nano-aerosol and nano-structured materials

DOEpatents

Bailey, Charles L.; Morozov, Victor; Vsevolodov, Nikolai N.

2010-08-17

The claimed invention describes methods and apparatuses for manufacturing nano-aerosols and nano-structured materials based on the neutralization of charged electrosprayed products with oppositely charged electrosprayed products. Electrosprayed products include molecular ions, nano-clusters and nano-fibers. Nano-aerosols can be generated when neutralization occurs in the gas phase. Neutralization of electrospan nano-fibers with molecular ions and charged nano-clusters may result in the formation of fibrous aerosols or free nano-mats. Nano-mats can also be produced on a suitable substrate, forming efficient nano-filters.

EFFECT OF BROMIDE ION IN WATER TREATMENT. 2. A LITERATURE REVIEW OF OZONE AND BROMIDE ION INTERACTIONS AND THE FORMATION OF ORGANIC BROMINE COMPOUNDS

EPA Science Inventory

Where bromide ion is found in water used as a source of drinking water, and chlorination is used for disinfection, bromide ion is oxidized to bromine and can result in the formation of organic bromine compounds. There are presently no treatment techniques available for economic r...

Molecular hydrogen formation on interstellar PAHs through Eley-Rideal abstraction reactions

NASA Astrophysics Data System (ADS)

Foley, Nolan; Cazaux, S.; Egorov, D.; Boschman, L. M. P. V.; Hoekstra, R.; Schlathölter, T.

2018-06-01

We present experimental data on H2 formation processes on gas-phase polycyclic aromatic hydrocarbon (PAH) cations. This process was studied by exposing coronene radical cations, confined in a radio-frequency ion trap, to gas phase H atoms. Sequential attachment of up to 23 hydrogen atoms has been observed. Exposure to atomic D instead of H allows one to distinguish attachment from competing abstraction reactions, as the latter now leave a unique fingerprint in the measured mass spectra. Modeling of the experimental results using realistic cross sections and barriers for attachment and abstraction yield a 1:2 ratio of abstraction to attachment cross sections. The strong contribution of abstraction indicates that H2 formation on interstellar PAH cations is an order of magnitude more relevant than previously thought.

Toward quantitative electrochemical measurements on the nanoscale by scanning probe microscopy: environmental and current spreading effects.

PubMed

Arruda, Thomas M; Kumar, Amit; Jesse, Stephen; Veith, Gabriel M; Tselev, Alexander; Baddorf, Arthur P; Balke, Nina; Kalinin, Sergei V

2013-09-24

The application of electric bias across tip-surface junctions in scanning probe microscopy can readily induce surface and bulk electrochemical processes that can be further detected though changes in surface topography, Faradaic or conductive currents, or electromechanical strain responses. However, the basic factors controlling tip-induced electrochemical processes, including the relationship between applied tip bias and the thermodynamics of local processes, remains largely unexplored. Using the model Li-ion reduction reaction on the surface in Li-ion conducting glass ceramic, we explore the factors controlling Li-metal formation and find surprisingly strong effects of atmosphere and back electrode composition on the process. We find that reaction processes are highly dependent on the nature of the counter electrode and environmental conditions. Using a nondepleting Li counter electrode, Li particles could grow significantly larger and faster than a depleting counter electrode. Significant Li ion depletion leads to the inability for further Li reduction. Time studies suggest that Li diffusion replenishes the vacant sites after ∼12 h. These studies suggest the feasibility of SPM-based quantitative electrochemical studies under proper environmental controls, extending the concepts of ultramicroelectrodes to the single-digit nanometer scale.

Computing the complex : Dusty plasmas in the presence of magnetic fields and UV radiation

NASA Astrophysics Data System (ADS)

Land, V.

2007-12-01

About 90% of the visible universe is plasma. Interstellar clouds, stellar cores and atmospheres, the Solar wind, the Earth's ionosphere, polar lights, and lightning are all plasma; ionized gases, consisting of electrons, ions, and neutrals. Not only many industries, like the microchip and solar cell industry, but also future fusion power stations, rely heavily on the use of plasma. More and more, home appliances include plasma technologies, like compact fluorescent light sources, and plasma screens. Dust particles, which can disrupt plasma processes, enter these plasmas, through chemical reactions in the plasma, or through interactions between plasma and walls. For instance, during microchip fabrication, dust particles can destroy the tiny, nanometre-sized structures on the surface of these chips. On the other hand, dust particles orbiting Young Stellar Objects coagulate and form the seeds of planets. In order to understand fundamental processes, such as planet formation, or to optimize industrial plasma processes, a thorough description of dusty plasma is necessary. Dust particles immersed in plasma collect ions and electrons from the plasma and charge up electrically. Therefore, the presence of dust changes plasma, while at the same time many forces start acting on the dust. Therefore, the dust and plasma become coupled, making dusty plasma a very complex medium to describe, in which many length and time scales play a role, from the Debye length to the length of the electrodes, and from the inverse plasma frequencies to the dust transport times. Using a self-consistent fluid model, we simulate these multi-scale dusty plasmas in radio frequency discharges under micro-gravity. We show that moderate non-linear scattering of ions by the dust particles is the most important aspect in the calculation of the ion drag force. This force is also responsible for the formation of a dust-free 'void' in dusty plasma under micro-gravity, caused by ions moving from the centre of the void towards the outside of the discharge. The void thus requires electron-impact ionizations inside the void. The electrons gain the energy for these ionizations inside the dust cloud surrounding the void, however. We show that a growing electron temperature gradient is responsible for the transport of electron energy from the surrounding dust cloud into the void. An axial magnetic field in the discharge magnetizes the electrons. This changes the ambipolar flux of ions through the bulk of the discharge. The ion drag force changes, resulting in a differently shaped void and faster void formation. Experiments in a direct current discharge, show a response of both dust and plasma in the E?B direction, when a magnetic field is applied. The dust response consists of two phases: an initial fast phase, and a later, slow phase. Using a Particle-In-Cell plus Monte Carlo model, we show that the dust charge can be reduced by adding a flux of ultraviolet radiation. A source of ultraviolet light can thus serve as a tool to manipulate dusty plasmas, but might also be important for the coagulation of dust particles around young stars and planet formation in general.

New insight into the promoting role of process on the CeO₂-WO₃/TiO₂ catalyst for NO reduction with NH₃ at low-temperature.

PubMed

Zhang, Shule; Zhong, Qin; Shen, Yuge; Zhu, Li; Ding, Jie

2015-06-15

This study aimed at investigating the reason of high catalytic activity for CeO2-WO3/TiO2 catalyst from the aspects of WO3 interaction with other species and the NO oxidation process. Analysis by X-ray diffractometry, photoluminescence spectra, diffuse reflectance UV-visible, X-ray photoelectron spectroscopy, density functional theory calculations, electron paramagnetic resonance spectroscopy, temperature-programmed-desorption of NO and in situ diffuse reflectance infrared transform spectroscopy showed that WO3 could interact with CeO2 to improve the electron gaining capability of CeO2 species. In addition, WO3 species acted as electron donating groups to transfer the electrons to CeO2 species. The two aspects enhanced the formation of reduced CeO2 species to improve the formation of superoxide ions. Furthermore, the Ce species were the active sites for the NO adsorption and the superoxide ions over the catalyst needed oxidizing the adsorbed NO to improve the NO oxidation. This process was responsible for the high catalytic activity of CeO2-WO3/TiO2 catalyst. Copyright © 2015 Elsevier Inc. All rights reserved.

A comparison between the processing of Titan aerosols analogs by ionizing photons and energetic cosmic rays.

NASA Astrophysics Data System (ADS)

De Araujo Vasconcelos, Fredson; Pilling, Sergio; Boduch, Philippe; Alexandre Souza Bergantini, M.; Ding, M. Jingjie J.; Rothard, Hermann; Robson Rocha, Will

Titan, the largest satellite of Saturn, has an atmosphere mainly made of N_{2} and CH_{4} and includes traces of several simple organic compounds. This atmosphere also partly consists of haze and erosol particles which during the last 4.5 gigayears have been processed by electric discharges, ions, and ionizing photons, being slowly deposited over Titańs surface. In this work, we investigate the possible effects produced by ionizing photons (vacuum ultraviolet and soft X-rays) and cosmic ray analogs (15.7 MeV (16) O (+5) ) on Titan aerosol analogs in an attempt to simulate some prebiotic photochemistry. For photons, the experiments have been performed using a high vacuum portable chamber from the Laboratorio de Astroquimica e Astrobiologia (LASA/UNIVAP) coupled to the the Brazilian Synchrotron Light Source (LNLS) in Campinas, Brazil. For ions, the investigation was performed at the Grand Accelerateur National d’Ions Lourds (GANIL) Caen, France. In-situ sample analyses were performed by a Fourier transform infrared spectrometer at different fluences. During the sample processing, the infrared spectra have presented several new organic molecules, including nitriles, HCN and aromatic CN compounds. The processing of the sample by fast ions has enhanced the formation of daughter species in the Titan aerosol sample when compared with the products from the employing VUV and soft X-rays photons. The destruction cross section of the parent species was determined, as well as, the formation cross section for some selected daughter species. Molecular Half-lives were extrapolated to the Titańs environment. This investigation confirms previous results which showed that the organic chemistry on frozen moons inside Solar system can be very complex and extremely rich in prebiotic compounds. Authors would like to tanks the agencies FAPESP (JP-2009/18304-0), CAPES-Cofecub (569/2007), INCT-A and CNPq for the financial support.

Atmospheric Solid Analysis Probe Coupled to Ion Mobility Spectrometry-Mass Spectrometry, a Fast and Simple Method for Polyalphaolefin Characterization

NASA Astrophysics Data System (ADS)

Mendes Siqueira, Anna Luiza; Beaumesnil, Mathieu; Hubert-Roux, Marie; Loutelier-Bourhis, Corinne; Afonso, Carlos; Bai, Yang; Courtiade, Marion; Racaud, Amandine

2018-05-01

Polyalphaolefins (PAOs) are polymers produced from linear alpha olefins through catalytic oligomerization processes. The PAOs are known as synthetic high-performance base stock fluids used to improve the efficiency of many other synthetic products. In this study, we report the direct characterization of PAOs using atmospheric solid analysis probe (ASAP) coupled with ion mobility spectrometry-mass spectrometry (IMS-MS). We studied different PAOs grades exhibiting low- and high-viscosity index. Specific adjustments of the ASAP source parameters permitted the monitoring of ionization processes as three mechanisms could occur for these compounds: hydride abstraction, nitrogen addition, and/or the formation of [M-2H]+• ions. Several series of fragment ions were obtained, which allowed the identification of the alpha olefin used to synthesize the PAO. The use of the ion mobility separation dimension provides information on isomeric species. In addition, the drift time versus m/z plots permitted rapid comparison between PAO samples and to evidence their complexity. These 2D plots appear as fingerprints of PAO samples. To conclude, the resort to ASAP-IMS-MS provides a rapid characterization of the PAO samples in a direct analysis approach, without any sample preparation.

Influence of California-style black ripe olive processing on the formation of acrylamide.

PubMed

Charoenprasert, Suthawan; Mitchell, Alyson

2014-08-27

Methods used in processing California-style black ripe olives generate acrylamide. California-style black ripe olives contain higher levels of acrylamide (409.67 ± 42.60-511.91 ± 34.08 μg kg(-1)) as compared to California-style green ripe olives (44.02 ± 3.55-105.79 ± 22.01 μg kg(-1)), Greek olives (<1.42 μg kg(-1)), and Spanish olives (not detected), indicating that the higher temperatures used to sterilize the California-style green ripe and black ripe olives are required for acrylamide formation. Preprocessing brine storage influenced the formation of acrylamide in a time-dependent manner. Acrylamide increased during the first 30 days of storage. Longer brine storage times (>30 days) result in lower acrylamide levels in the finished product. The presence of calcium ions in the preprocessing brining solution results in higher levels of acrylamide in finished products. Air oxidation during lye processing and the neutralization of olives prior to sterilization significantly increase the formation of acrylamide in the finished products. Conversely, lye-processing decreases the levels of acrylamide in the final product. These results indicate that specific steps in the California-style black ripe olive processing may be manipulated to mitigate the formation of acrylamide in finished products.

Ion formation upon electron collisions with valine embedded in helium nanodroplets

NASA Astrophysics Data System (ADS)

Weinberger, Nikolaus; Ralser, Stefan; Renzler, Michael; Harnisch, Martina; Kaiser, Alexander; Denifl, Stefan; Böhme, Diethard K.; Scheier, Paul

2016-04-01

We report here experimental results for the electron ionization of large superfluid helium nanodroplets with sizes of about 105 atoms that are doped with valine and clusters of valine. Spectra of both cations and anions were monitored with high-resolution time-of-flight mass spectrometry (mass resolution >4000). Clear series of peaks with valine cluster sizes up to at least 40 and spaced by the mass of a valine molecule are visible in both the cation and anion spectra. Ion efficiency curves are presented for selected cations and anions at electron energies up to about 40 eV and these provide insight into the mode of ion formation. The measured onset of 24.59 eV for cations is indicative of valine ionization by He+ whereas broad resonances at 2, 10 and 22 eV (and beyond) in the formation of anions speak to the occurrence of various modes of dissociative electron attachment by collisions with electrons or He*- and the influence of droplet size on the relative importance of these processes. Comparisons are also made with gas phase results and these provide insight into a matrix effect within the superfluid helium nanodroplet. Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.

Interaction of metal ions and amino acids - Possible mechanisms for the adsorption of amino acids on homoionic smectite clays

NASA Technical Reports Server (NTRS)

Gupta, A.; Loew, G. H.; Lawless, J.

1983-01-01

A semiempirical molecular orbital method is used to characterize the binding of amino acids to hexahydrated Cu(2+) and Ni(2+), a process presumed to occur when they are adsorbed in the interlamellar space of homoionic smectite clays. Five alpha-amino acids, beta-alanine, and gamma-aminobutyric acid were used to investigate the metal ion and amino acid specificity in binding. It was assumed that the alpha, beta, and gamma-amino acids would bind as bidentate anionic ligands, forming either 1:1 or 1:2 six-coordinated five, six, and seven-membered-ring chelate complexes, respectively. Energies of complex formation, optimized geometries, and electron and spin distribution were determined; and steric constraints of binding of the amino acids to the ion-exchanged cations in the interlamellar spacing of a clay were examined. Results indicate that hexahydrated Cu(2+) forms more stable complexes than hexahydrated Ni(2+) with all the amino acids studied. However, among these amino acids, complex formation does not favor the adsorption of the biological subset. Calculated energetics of complex formation and steric constraints are shown to predict that 1:1 rather than 1:2 metal-amino acid complexes are generally favored in the clay.

Vacancies and Vacancy-Mediated Self Diffusion in Cr 2 O 3 : A First-Principles Study

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

Medasani, Bharat; Sushko, Maria L.; Rosso, Kevin M.

Charged and neutral vacancies and vacancy mediated self diffusion in alpha-Cr2O3 were investigated using first principles density functional theory (DFT) and periodic supercell formalism. The vacancy formation energies of charged defects were calculated using the electrostatic finite-size corrections to account for electrostatic interactions between supercells and the corrections for the bandgap underestimation in DFT. Calculations predict that neutral oxygen (O) vacancies are predominant in chromium (Cr)-rich conditions and Cr vacancies with -2 charge state are the dominant defects in O-rich conditions. The charge transition levels of both O and Cr vacancies are deep within the bandgap indicating the stability ofmore » these defects. Transport calculations indicate that vacancy mediated diffusion along the basal plane has lower energy barriers for both O and Cr ions. The most favorable vacancy mediated self diffusion processes correspond to the diffusion of Cr ion in 3+ charge state and O ion in 2- state, respectively. Our calculations reveal that Cr triple defects comprised of Cr in octahedral interstitial sites with two adjacent Cr vacancies along the c-axis have a lower formation energy compared to that of charged Cr vacancies. The formation of such triple defects facilitate Cr self diffusion along the c-axis.« less

Monitoring Ion Track Formation Using In Situ RBS/c, ToF-ERDA, and HR-PIXE

NASA Astrophysics Data System (ADS)

Karlušić, Marko; Fazinić, Stjepko; Siketić, Zdravko; Tadić, Tonči; Cosic, Donny; Božičević-Mihalić, Iva; Zamboni, Ivana; Jakšić, Milko; Schleberger, Marika

2017-09-01

The aim of this work is to investigate feasibility of the ion beam analysis techniques for monitoring swift heavy ion track formation. First, use of the in situ Rutherford backscattering spectroscopy in channeling mode to observe damage build-up in quartz SiO2 after MeV heavy ion irradiation is demonstrated. Second, new results of the in situ grazing incidence time-of-flight elastic recoil detection analysis used for monitoring the surface elemental composition during ion tracks formation in various materials are presented. Ion tracks were found on SrTiO3, quartz SiO2, a-SiO2 and muscovite mica surfaces by atomic force microscopy, but in contrast to our previous studies on GaN and TiO2, surface stoichiometry remained unchanged.

Noble gas cluster ions

NASA Astrophysics Data System (ADS)

Kaya, Yunus; Kalkan, Yalçin; Veenhof, Rob

2018-02-01

In this work, a reaction mechanism of formation of noble gas (Ng) cluster ions has been theoretically investigated in detail. The kinetic studies of formation of Xe+Xe cluster in Xe, Ar+Ar cluster ions in Ar, and Ne+Ne cluster ions in Ne have been made as theoretically. The optimized structures in the ground state were calculated using the density functional theory (DFT) by the B3LYP method combined with the Stuttgart/Dresden effective core potential basis set (SDD). In addition, we calculated the rate constants of all cluster formations. The results are 1.15 × 10-31, 3.58 × 10-31, 0.23 × 10-31cm6/s, respectively for Neon, Argon, Xenon cluster ions.

Chemical sporulation and germination: cytoprotective nanocoating of individual mammalian cells with a degradable tannic acid-FeIII complex

NASA Astrophysics Data System (ADS)

Lee, Juno; Cho, Hyeoncheol; Choi, Jinsu; Kim, Doyeon; Hong, Daewha; Park, Ji Hun; Yang, Sung Ho; Choi, Insung S.

2015-11-01

Individual mammalian cells were coated with cytoprotective and degradable films by cytocompatible processes maintaining the cell viability. Three types of mammalian cells (HeLa, NIH 3T3, and Jurkat cells) were coated with a metal-organic complex of tannic acid (TA) and ferric ion, and the TA-FeIII nanocoat effectively protected the coated mammalian cells against UV-C irradiation and a toxic compound. More importantly, the cell proliferation was controlled by programmed formation and degradation of the TA-FeIII nanocoat, mimicking the sporulation and germination processes found in nature.Individual mammalian cells were coated with cytoprotective and degradable films by cytocompatible processes maintaining the cell viability. Three types of mammalian cells (HeLa, NIH 3T3, and Jurkat cells) were coated with a metal-organic complex of tannic acid (TA) and ferric ion, and the TA-FeIII nanocoat effectively protected the coated mammalian cells against UV-C irradiation and a toxic compound. More importantly, the cell proliferation was controlled by programmed formation and degradation of the TA-FeIII nanocoat, mimicking the sporulation and germination processes found in nature. Electronic supplementary information (ESI) available: Experimental details, LSCM images, and SEM and TEM images. See DOI: 10.1039/c5nr05573c

Lunar Ion Transport Near Magnetic Anomalies: Possible Implications for Swirl Formation

NASA Technical Reports Server (NTRS)

Keller, J. W.; Killen, R. M.; Stubbs, T. J.; Farrell, W. M.; Halekas, J. S.

2011-01-01

The bright swirling features on the lunar surface in areas around the Moon but most prominently at Reiner Gamma, have intrigued scientists for many years. After Apollo and later Lunar Prospector (LP} mapped the Lunar magnetic fields from orbit, it was observed that these features are generally associated with crustal magnetic anomalies. This led researchers to propose a number of explanations for the swirls that invoke these fields. Prominent among these include magnetic shielding in the form of a mini-magnetosphere which impedes space weathering by the solar wind, magnetically controlled dust transport, and cometary or asteroidal impacts that would result in shock magnetization with concomitant formation ofthe swirls. In this presentation, we will consider another possibility, that the ambient magnetic and electric fields can transport and channel secondary ions produced by micrometeorite or solar wind ion impacts. In this scenario, ions that are created in these impacts are under the influence of these fields and can drift for significant distances before encountering the magnetic anomalies when their trajectories are disrupted and concentrated onto nearby areas. These ions may then be responsible for chemical alteration of the surface leading either to a brightening effect or a disruption of space weathering processes. To test this hypothesis we have run ion trajectory simulations that show ions from regions about the magnetic anomalies can be channeled into very small areas near the anomalies and although questions remain as to nature of the mechanisms that could lead to brightening of the surface it appears that the channeling effect is consistent with the existence of the swirls.

Nonlinear ion dynamics in Hall thruster plasma source by ion transit-time instability

NASA Astrophysics Data System (ADS)

Lim, Youbong; Choe, Wonho; Mazouffre, Stéphane; Park, Jae Sun; Kim, Holak; Seon, Jongho; Garrigues, L.

2017-03-01

High-energy tail formation in an ion energy distribution function (IEDF) is explained in a Hall thruster plasma with the stationary crossed electric and magnetic fields whose discharge current is oscillated at the ion transit-time scale with a frequency of 360 kHz. Among ions in different charge states, singly charged Xe ions (Xe+) have an IEDF that is significantly broadened and shifted toward the high-energy side, which contributes to tail formation in the entire IEDF. Analytical and numerical investigations confirm that the IEDF tail is due to nonlinear ion dynamics in the ion transit-time oscillation.

Density functional theory and RRKM calculations of decompositions of the metastable E-2,4-pentadienal molecular ions.

PubMed

Solano Espinoza, Eduardo A; Vallejo Narváez, Wilmer E

2010-07-01

The potential energy profiles for the fragmentations that lead to [C(5)H(5)O](+) and [C(4)H(6)](+*) ions from the molecular ions [C(5)H(6)O](+*) of E-2,4-pentadienal were obtained from calculations at the UB3LYP/6-311G + + (3df,3pd)//UB3LYP/6-31G(d,p) level of theory. Kinetic barriers and harmonic frequencies obtained by the density functional method were then employed in Rice-Ramsperger-Kassel-Marcus calculations of individual rate coefficients for a large number of reaction steps. The pre-equilibrium and rate-controlling step approximations were applied to different regions of the complex potential energy surface, allowing the overall rate of decomposition to be calculated and discriminated between three rival pathways: C-H bond cleavage, decarbonylation and cyclization. These processes should have to compete for an equilibrated mixture of four conformers of the E-2,4-pentadienal ions. The direct dissociation, however, can only become important in the high-energy regime. In contrast, loss of CO and cyclization are observable processes in the metastable kinetic window. The former involves a slow 1,2-hydrogen shift from the carbonyl group that is immediately followed by the formation of an ion-neutral complex which, in turn, decomposes rapidly to the s-trans-1,3-butadiene ion [C(4)H(6)](+*). The predominating metastable channel is the second one, that is, a multi-step ring closure which starts with a rate-limiting cis-trans isomerization. This process yields a mixture of interconverting pyran ions that dissociates to the pyrylium ions [C(5)H(5)O](+). These results can be used to rationalize the CID mass spectrum of E-2,4-pentadienal in a low-energy regime. 2010 John Wiley & Sons, Ltd.

Titan's Complex Chemistry: Insights from the Lab

NASA Astrophysics Data System (ADS)

Horst, Sarah

2018-06-01

The Cassini-Huygens mission revealed Titan to be a complex world with physical processes reminiscent of other terrestrial planets, but chemistry that is unlike anywhere else in the Solar System. Titan's complex atmospheric chemistry converts N2 and CH4 into numerous, abundant organic molecules ranging from relatively simple hydrocarbons to ions with mass to charge ratios up to 10,000 amu/q. The molecules eventually settle to the surface where they can participate in and be modified by geological processes such as aeolian and fluvial erosion or undergo subsequent chemistry in Titan's lakes and seas or impact craters and potential cryovolcanic flows. From the processes leading to massive ion formation in the atmosphere to the behavior of saltating organic sands on the surface, laboratory experiments are playing a pivotal role in understanding Titan and expanding our understanding of planetary processes into new, exciting phase space.

Spontaneous Hot Flow Anomalies at Quasi-Parallel Shocks: 2. Hybrid Simulations

NASA Technical Reports Server (NTRS)

Omidi, N.; Zhang, H.; Sibeck, D.; Turner, D.

2013-01-01

Motivated by recent THEMIS observations, this paper uses 2.5-D electromagnetic hybrid simulations to investigate the formation of Spontaneous Hot Flow Anomalies (SHFA) upstream of quasi-parallel bow shocks during steady solar wind conditions and in the absence of discontinuities. The results show the formation of a large number of structures along and upstream of the quasi-parallel bow shock. Their outer edges exhibit density and magnetic field enhancements, while their cores exhibit drops in density, magnetic field, solar wind velocity and enhancements in ion temperature. Using virtual spacecraft in the simulation, we show that the signatures of these structures in the time series data are very similar to those of SHFAs seen in THEMIS data and conclude that they correspond to SHFAs. Examination of the simulation data shows that SHFAs form as the result of foreshock cavitons interacting with the bow shock. Foreshock cavitons in turn form due to the nonlinear evolution of ULF waves generated by the interaction of the solar wind with the backstreaming ions. Because foreshock cavitons are an inherent part of the shock dissipation process, the formation of SHFAs is also an inherent part of the dissipation process leading to a highly non-uniform plasma in the quasi-parallel magnetosheath including large scale density and magnetic field cavities.

Solar Ion Sputter Deposition in the Lunar Regolith: Experimental Simulation Using Focused-Ion Beam Techniques

NASA Technical Reports Server (NTRS)

Christoffersen, R.; Rahman, Z.; Keller, L. P.

2012-01-01

As regions of the lunar regolith undergo space weathering, their component grains develop compositionally and microstructurally complex outer coatings or "rims" ranging in thickness from a few 10 s to a few 100's of nm. Rims on grains in the finest size fractions (e.g., <20 m) of mature lunar regoliths contain optically-active concentrations of nm size metallic Fe spherules, or "nanophase Fe(sup o)" that redden and attenuate optical reflectance spectral features important in lunar remote sensing. Understanding the mechanisms for rim formation is therefore a key part of connecting the drivers of mineralogical and chemical changes in the lunar regolith with how lunar terrains are observed to become space weathered from a remotely-sensed point of view. As interpreted based on analytical transmission electron microscope (TEM) studies, rims are produced from varying relative contributions from: 1) direct solar ion irradiation effects that amorphize or otherwise modify the outer surface of the original host grain, and 2) nanoscale, layer-like, deposition of extrinsic material processed from the surrounding soil. This extrinsic/deposited material is the dominant physical host for nanophase Fe(sup o) in the rims. An important lingering uncertainty is whether this deposited material condensed from regolith components locally vaporized in micrometeorite or larger impacts, or whether it formed as solar wind ions sputtered exposed soil and re-deposited the sputtered ions on less exposed areas. Deciding which of these mechanisms is dominant, or possibility exclusive, has been hampered because there is an insufficient library of chemical and microstructural "fingerprints" to distinguish deposits produced by the two processes. Experimental sputter deposition / characterization studies relevant to rim formation have particularly lagged since the early post-Apollo experiments of Hapke and others, especially with regard to application of TEM-based characterization techniques. Here we report on a novel design for simulating solar ion sputter deposition in the lunar regolith, with characterization of the resulting sputter deposits by an array of advanced analytical TEM techniques.

Kinetics of color center formation in silica irradiated with swift heavy ions: Thresholding and formation efficiency

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

Manzano-Santamaria, J.; Euratom/CIEMAT Fusion Association, Madrid; Olivares, J.

2012-10-08

We have determined the cross-section {sigma} for color center generation under single Br ion impacts on amorphous SiO{sub 2}. The evolution of the cross-sections, {sigma}(E) and {sigma}(S{sub e}), show an initial flat stage that we associate to atomic collision mechanisms. Above a certain threshold value (S{sub e} > 2 keV/nm), roughly coinciding with that reported for the onset of macroscopic disorder (compaction), {sigma} shows a marked increase due to electronic processes. In this regime, a energetic cost of around 7.5 keV is necessary to create a non bridging oxygen hole center-E Prime (NBOHC/E Prime ) pair, whatever the input energy.more » The data appear consistent with a non-radiative decay of self-trapped excitons.« less

Neon ion beam induced pattern formation on amorphous carbon surfaces

NASA Astrophysics Data System (ADS)

Bobes, Omar; Hofsäss, Hans; Zhang, Kun

2018-02-01

We investigate the ripple pattern formation on amorphous carbon surfaces at room temperature during low energy Ne ion irradiation as a function of the ion incidence angle. Monte Carlo simulations of the curvature coefficients applied to the Bradley-Harper and Cater-Vishnyakov models, including the recent extensions by Harrison-Bradley and Hofsäss predict that pattern formation on amorphous carbon thin films should be possible for low energy Ne ions from 250 eV up to 1500 eV. Moreover, simulations are able to explain the absence of pattern formation in certain cases. Our experimental results are compared with prediction using current linear theoretical models and applying the crater function formalism, as well as Monte Carlo simulations to calculate curvature coefficients using the SDTrimSP program. Calculations indicate that no patterns should be generated up to 45° incidence angle if the dynamic behavior of the thickness of the ion irradiated layer introduced by Hofsäss is taken into account, while pattern formation most pronounced from 50° for ion energy between 250 eV and 1500 eV, which are in good agreement with our experimental data.

Understanding glass formation and ion transport in polymeric ionic liquids using computer simulations

NASA Astrophysics Data System (ADS)

Patra, Tarak; Yang, Junhong; Cheng, Yiz; Simmons, David

Polymeric ionic liquids (PILs) are very promising materials to enable more environmentally stable high density energy storage devices. Realization of PILs providing high environmental and mechanical stability while maximizing ion conductivity would be accelerated by an improved molecular level understanding of their structure and dynamics. Extensive evidence suggests that both mechanical properties and ion conductivity in anhydrous PILs are intimately related to the PIL's glass formation behavior. This represents a major challenge to the rational design of these materials, given that the basic nature of glass formation and its connection to molecular properties remains a substantial open question in polymer and condensed matter physics. Here we describe coarse-grained and atomistic molecular dynamics simulations probing the relationship between PIL architecture and interactions, glass formation behavior, and ion transport characteristics. These studies provide guidance towards the design of PILs with improved stability and ion conductivity for future energy applications.

Atmospheric pressure chemical ionization of explosives using alternating current corona discharge ion source.

PubMed

Usmanov, D T; Chen, L C; Yu, Z; Yamabe, S; Sakaki, S; Hiraoka, K

2015-04-01

The high-sensitive detection of explosives is of great importance for social security and safety. In this work, the ion source for atmospheric pressure chemical ionization/mass spectrometry using alternating current corona discharge was newly designed for the analysis of explosives. An electromolded fine capillary with 115 µm inner diameter and 12 mm long was used for the inlet of the mass spectrometer. The flow rate of air through this capillary was 41 ml/min. Stable corona discharge could be maintained with the position of the discharge needle tip as close as 1 mm to the inlet capillary without causing the arc discharge. Explosives dissolved in 0.5 µl methanol were injected to the ion source. The limits of detection for five explosives with 50 pg or lower were achieved. In the ion/molecule reactions of trinitrotoluene (TNT), the discharge products of NOx (-) (x = 2,3), O3 and HNO3 originating from plasma-excited air were suggested to contribute to the formation of [TNT - H](-) (m/z 226), [TNT - NO](-) (m/z 197) and [TNT - NO + HNO3 ](-) (m/z 260), respectively. Formation processes of these ions were traced by density functional theory calculations. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

Increased size selectivity of Si quantum dots on SiC at low substrate temperatures: An ion-assisted self-organization approach

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

Seo, D. H.; Das Arulsamy, A.; Rider, A. E.

A simple, effective, and innovative approach based on ion-assisted self-organization is proposed to synthesize size-selected Si quantum dots (QDs) on SiC substrates at low substrate temperatures. Using hybrid numerical simulations, the formation of Si QDs through a self-organization approach is investigated by taking into account two distinct cases of Si QD formation using the ionization energy approximation theory, which considers ionized in-fluxes containing Si{sup 3+} and Si{sup 1+} ions in the presence of a microscopic nonuniform electric field induced by a variable surface bias. The results show that the highest percentage of the surface coverage by 1 and 2 nmmore » size-selected QDs was achieved using a bias of -20 V and ions in the lowest charge state, namely, Si{sup 1+} ions in a low substrate temperature range (227-327 deg. C). As low substrate temperatures ({<=}500 deg. C) are desirable from a technological point of view, because (i) low-temperature deposition techniques are compatible with current thin-film Si-based solar cell fabrication and (ii) high processing temperatures can frequently cause damage to other components in electronic devices and destroy the tandem structure of Si QD-based third-generation solar cells, our results are highly relevant to the development of the third-generation all-Si tandem photovoltaic solar cells.« less

Carbon Ion Radiation Inhibits Glioma and Endothelial Cell Migration Induced by Secreted VEGF

PubMed Central

Liu, Yang; Liu, Yuanyuan; Sun, Chao; Gan, Lu; Zhang, Luwei; Mao, Aihong; Du, Yuting; Zhou, Rong; Zhang, Hong

2014-01-01

This study evaluated the effects of carbon ion and X-ray radiation and the tumor microenvironment on the migration of glioma and endothelial cells, a key process in tumorigenesis and angiogenesis during cancer progression. C6 glioma and human microvascular endothelial cells were treated with conditioned medium from cultures of glioma cells irradiated at a range of doses and the migration of both cell types, tube formation by endothelial cells, as well as the expression and secretion of migration-related proteins were evaluated. Exposure to X-ray radiation-conditioned medium induced dose-dependent increases in cell migration and tube formation, which were accompanied by an upregulation of vascular endothelial growth factor (VEGF) and matrix metalloproteinase (MMP)-2 and -9 expression. However, glioma cells treated with conditioned medium of cells irradiated at a carbon ion dose of 4.0 Gy showed a marked decrease in migratory potential and VEGF secretion relative to non-irradiated cells. The application of recombinant VEGF165 stimulated migration in glioma and endothelial cells, which was associated with increased FAK phosphorylation at Tyr861, suggesting that the suppression of cell migration by carbon ion radiation could be via VEGF-activated FAK signaling. Taken together, these findings indicate that carbon ion may be superior to X-ray radiation for inhibiting tumorigenesis and angiogenesis through modulation of VEGF level in the glioma microenvironment. PMID:24893038

A classical view on nonclassical nucleation.

PubMed

Smeets, Paul J M; Finney, Aaron R; Habraken, Wouter J E M; Nudelman, Fabio; Friedrich, Heiner; Laven, Jozua; De Yoreo, James J; Rodger, P Mark; Sommerdijk, Nico A J M

2017-09-19

Understanding and controlling nucleation is important for many crystallization applications. Calcium carbonate (CaCO 3 ) is often used as a model system to investigate nucleation mechanisms. Despite its great importance in geology, biology, and many industrial applications, CaCO 3 nucleation is still a topic of intense discussion, with new pathways for its growth from ions in solution proposed in recent years. These new pathways include the so-called nonclassical nucleation mechanism via the assembly of thermodynamically stable prenucleation clusters, as well as the formation of a dense liquid precursor phase via liquid-liquid phase separation. Here, we present results from a combined experimental and computational investigation on the precipitation of CaCO 3 in dilute aqueous solutions. We propose that a dense liquid phase (containing 4-7 H 2 O per CaCO 3 unit) forms in supersaturated solutions through the association of ions and ion pairs without significant participation of larger ion clusters. This liquid acts as the precursor for the formation of solid CaCO 3 in the form of vaterite, which grows via a net transfer of ions from solution according to z Ca 2+ + z CO 3 2- → z CaCO 3 The results show that all steps in this process can be explained according to classical concepts of crystal nucleation and growth, and that long-standing physical concepts of nucleation can describe multistep, multiphase growth mechanisms.

Increased size selectivity of Si quantum dots on SiC at low substrate temperatures: An ion-assisted self-organization approach

NASA Astrophysics Data System (ADS)

Seo, D. H.; Rider, A. E.; Das Arulsamy, A.; Levchenko, I.; Ostrikov, K.

2010-01-01

A simple, effective, and innovative approach based on ion-assisted self-organization is proposed to synthesize size-selected Si quantum dots (QDs) on SiC substrates at low substrate temperatures. Using hybrid numerical simulations, the formation of Si QDs through a self-organization approach is investigated by taking into account two distinct cases of Si QD formation using the ionization energy approximation theory, which considers ionized in-fluxes containing Si3+ and Si1+ ions in the presence of a microscopic nonuniform electric field induced by a variable surface bias. The results show that the highest percentage of the surface coverage by 1 and 2 nm size-selected QDs was achieved using a bias of -20 V and ions in the lowest charge state, namely, Si1+ ions in a low substrate temperature range (227-327 °C). As low substrate temperatures (≤500 °C) are desirable from a technological point of view, because (i) low-temperature deposition techniques are compatible with current thin-film Si-based solar cell fabrication and (ii) high processing temperatures can frequently cause damage to other components in electronic devices and destroy the tandem structure of Si QD-based third-generation solar cells, our results are highly relevant to the development of the third-generation all-Si tandem photovoltaic solar cells.

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

Tan Lin; Liu Fuyi; Armentrout, P.B.

The kinetic energy dependences of the reactions of Fe{sub n}{sup +} (n=1-19) with N{sub 2} are studied in a guided ion beam tandem mass spectrometer over the energy range of 0-15 eV. In addition to collision-induced dissociation forming Fe{sub m}{sup +} ions, which dominate the product spectra, a variety of Fe{sub m}N{sub 2}{sup +} and Fe{sub m}N{sup +} product ions, where m{<=}n, is observed. All processes are observed to exhibit thresholds. Fe{sub m}{sup +}-N and Fe{sub m}{sup +}-2N bond energies as a function of cluster size are derived from the threshold analysis of the kinetic energy dependences of the endothermicmore » reactions. The trends in this thermochemistry are compared to the isoelectronic D{sub 0}(Fe{sub n}{sup +}-CH), and to bulk phase values. A fairly uniform barrier of 0.48{+-}0.03 eV at 0 K is observed for formation of the Fe{sub n}N{sub 2}{sup +} product ions (n=12, 15-19) and can be related to the rate-limiting step in the Haber process for catalytic ammonia production.« less

K-shell excitation studied for H- and He-like bismuth ions in collisions with low-Z target atoms

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

Stoehlker, T.; Ionescu, D.C.; Rymuza, P.

1998-02-01

The formation of excited projectile states via Coulomb excitation is investigated for hydrogenlike and heliumlike bismuth projectiles (Z=83) in relativistic ion-atom collisions. The excitation process was unambiguously identified by observing the radiative decay of the excited levels to the vacant 1s shell in coincidence with ions that did not undergo charge exchange in the reaction target. In particular, owing to the large fine-structure splitting of Bi, the excitation cross sections to the various L-shell sublevels are determined separately. The results are compared with detailed relativistic calculations, showing that both the relativistic character of the bound-state wave functions and the magneticmore » interaction are of considerable importance for the K-shell excitation process in high-Z ions such as Bi. The experimental data confirm the result of the complete relativistic calculations, namely, that the magnetic part of the Li{acute e}nard-Wiechert interaction leads to a significant reduction of the K-shell excitation cross section. {copyright} {ital 1998} {ital The American Physical Society}« less

The nature of chlorine-inhibition of photocatalytic degradation of dichloroacetic acid in a TiO2-based microreactor.

PubMed

Krivec, M; Dillert, R; Bahnemann, D W; Mehle, A; Štrancar, J; Dražić, G

2014-07-28

Photocatalytic degradation of dichloroacetic acid (DCA) was studied in a continuous-flow set-up using a titanium microreactor with an immobilized double-layered TiO2 nanoparticle/nanotube film. Chloride ions, formed during the degradation process, negatively affect the photocatalytic efficiency and at a certain concentration (approximately 0.5 mM) completely stop the reaction in the microreactor. Two proposed mechanisms of inhibition with chloride ions, competitive adsorption and photogenerated-hole scavenging, have been proposed and investigated by adsorption isotherms and electron paramagnetic resonance (EPR) measurements. The results show that chloride ions block the DCA adsorption sites on the titania surface and reduce the amount of adsorbed DCA molecules. The scavenging effect of chloride ions during photocatalysis through the formation of chlorine radicals was not detected.

Flux threshold determination for tungsten nano-fuzz formation using an 80 eV He-ion beam

NASA Astrophysics Data System (ADS)

Meyer, Fred W.; Bannister, Mark E.; Parish, Chad M.

2017-10-01

At the ORNL Multicharged Ion Research Facility (MIRF), we have extended our investigation of flux thresholds for He-ion induced nano-fuzz formation on hot tungsten surfaces down to plasma-edge-relevant energies of 80 eV. We measured the size of the incident ion beam by accurate flux-profile measurements, and the size of the region where tungsten nano-fuzz was formed by post-exposure SEM surface analysis and real-time monitoring of the hot W surface-emissivity change throughout the beam exposure. If tungsten nano-fuzz formation had a fluence threshold, the size of the observed nano-fuzz region would be expected to increase with exposure time, eventually filling the entire ion beam spot. Instead, we found that the region of nano-fuzz formation (1) was always smaller than the beam spot itself and (2) did not increase in size with time, i.e. with accumulated He ion fluence. By comparison of the flux profile and the spatial extent of the fuzz region we determined a flux threshold of 9.5 +-3×1019/m2s at 80 eV He ion impact energy. We show that the observed flux-threshold energy dependence for nano-fuzz formation, which we have now mapped out from 80 eV to 8.5 keV, is well reproduced by the combined energy dependences of He-ion reflection, He-ion range and target-damage creation, determined using SRIM. Research sponsored by the LDRD program at ORNL, managed by UT-Battelle for the USDOE, and by the DOE OFES.

Thermodynamics and Kinetics of Na+/K+-Formate Ion Pairs Association in Polarizable Water: A Molecular Dynamics Study

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

Nguyen, Phuong T.; Nguyen, Van T.; Annapureddy, Harsha V.

2012-12-03

To elevate our understanding of ion specific activity in biological systems, the potential of mean force approach was utilized to study solvent effects on interactions between two alkali cations (Na+ and K+) with a formate anion in water. A very complex free energy landscape was observed, much more so than alkali-halide ion pairs. Furthermore, stronger binding between the Na+-formate pair was found in comparison to the K+-formate pair in water, a finding that agrees with experimental and theoretical studies of these systems. The kinetics of ion-pair interconversions were studied using transition rate theory, along with a variety of theoretical approachesmore » such as the Kramers and Grote Hynes theories. These rate results were used to predict solvent effects on dynamical features of contact ion-pair association, in which faster dynamics were found for K+-formate pairs than for Na+-formate pairs. This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for DOE by Battelle.« less

BRIEF COMMUNICATION: The negative ion flux across a double sheath at the formation of a virtual cathode

NASA Astrophysics Data System (ADS)

McAdams, R.; Bacal, M.

2010-08-01

For the case of negative ions from a cathode entering a plasma, the maximum negative ion flux and the positive ion flux before the formation of a virtual cathode have been calculated for particular plasma conditions. The calculation is based on a simple modification of an analysis of electron emission into a plasma containing negative ions. The results are in good agreement with a 1d3v PIC code model.

Low-Energy Collisions of Protonated Enantiopure Amino Acids with Chiral Target Gases

NASA Astrophysics Data System (ADS)

Kulyk, K.; Rebrov, O.; Ryding, M.; Thomas, R. D.; Uggerud, E.; Larsson, M.

2017-12-01

Here we report on the gas-phase interactions between protonated enantiopure amino acids ( l- and d-enantiomers of Met, Phe, and Trp) and chiral target gases [( R)- and ( S)-2-butanol, and ( S)-1-phenylethanol] in 0.1-10.0 eV low-energy collisions. Two major processes are seen to occur over this collision energy regime, collision-induced dissociation and ion-molecule complex formation. Both processes were found to be independent of the stereo-chemical composition of the interacting ions and targets. These data shed light on the currently debated mechanisms of gas-phase chiral selectivity by demonstrating the inapplicability of the three-point model to these interactions, at least under single collision conditions. [Figure not available: see fulltext.

Advanced Sulfur-Silicon Full Cell Architecture for Lithium Ion Batteries.

PubMed

Ye, Rachel; Bell, Jeffrey; Patino, Daisy; Ahmed, Kazi; Ozkan, Mihri; Ozkan, Cengiz S

2017-12-08

Lithium-ion batteries are crucial to the future of energy storage. However, the energy density of current lithium-ion batteries is insufficient for future applications. Sulfur cathodes and silicon anodes have garnered a lot of attention in the field due their high capacity potential. Although recent developments in sulfur and silicon electrodes show exciting results in half cell formats, neither electrode can act as a lithium source when put together into a full cell format. Current methods toward incorporating lithium in sulfur-silicon full cells involves prelithiating silicon or using lithium sulfide. These methods however, complicate material processing and creates safety hazards. Herein, we present a novel full cell battery architecture that bypasses the issues associated with current methods. This battery architecture gradually integrates controlled amounts of pure lithium into the system by allowing lithium the access to external circuit. A high specific energy density of 350 Wh/kg after 250 cycles at C/10 was achieved using this method. This work should pave the way for future researches into sulfur-silicon full cells.

Formation of long-lived CDn2+ and CHn2+ dications

NASA Astrophysics Data System (ADS)

Levy, Y.; Bar-David, A.; Ben-Itzhak, I.; Gertner, I.; Rosner, B.

1999-08-01

A systematic study of the formation of CDn2+ and CHn2+ dications in fast charge-stripping collisions with Ar atoms was conducted. The experimental method was based on the detection of the D (or H) fragments of the molecular ion of interest, and thus reducing the effect of the fraction of molecular ions containing the 13C isotope and other beam impurities. We observed long-lived CD22+, CD42+, and CD52+ dications. In the same process neither long-lived CD2+ nor CD32+ were observed. The mean lifetime of CD22+ was determined to be 4.0±1.11.3 µs, and those of CD42+ and CD52+ were longer than 2.1 and 3.3 µs, respectively. The production cross sections of CDn2+ from different CDm+ beams were measured. Long-lived CD22+ was formed from all CDm+ beams (micons/Journals/Common/geq" ALT="geq" ALIGN="TOP"/>2) and also directly from the rf ion source. In contrast, CD42+ and CD52+ were formed only from CD4+ and CD5+, respectively.

Radiobiological study by using laser-driven proton beams

NASA Astrophysics Data System (ADS)

Yogo, A.; Sato, K.; Nishikino, M.; Mori, M.; Teshima, T.; Numasaki, H.; Murakami, M.; Demizu, Y.; Akagi, S.; Nagayama, S.; Ogura, K.; Sagisaka, A.; Orimo, S.; Nishiuchi, M.; Pirozhkov, A. S.; Ikegami, M.; Tampo, M.; Sakaki, H.; Suzuki, M.; Daito, I.; Oishi, Y.; Sugiyama, H.; Kiriyama, H.; Okada, H.; Kanazawa, S.; Kondo, S.; Shimomura, T.; Nakai, Y.; Tanoue, M.; Sugiyama, H.; Sasao, H.; Wakai, D.; Kawachi, T.; Nishimura, H.; Bolton, P. R.; Daido, H.

2009-07-01

Particle acceleration driven by high-intensity laser systems is widely attracting interest as a potential alternative to conventional ion acceleration, including ion accelerator applications to tumor therapy. Recent works have shown that a high intensity laser pulse can produce single proton bunches of a high current and a short pulse duration. This unique feature of laser-ion acceleration can lead to progress in the development of novel ion sources. However, there has been no experimental study of the biological effects of laser-driven ion beams. We describe in this report the first demonstrated irradiation effect of laser-accelerated protons on human lung cancer cells. In-vitro A549 cells are irradiated with a proton dose of 20 Gy, resulting in a distinct formation of γ-H2AX foci as an indicator of DNA double-strand breaks. This is a pioneering result that points to future investigations of the radiobiological effects of laser-driven ion beams. The laser-driven ion beam is apotential excitation source for time-resolved determination of hydroxyl (OH) radical yield, which will explore relationship between the fundamental chemical reactions of radiation effects and consequent biological processes.

Nanocrystalline SnO2 formation using energetic ion beam.

PubMed

Mohanty, T; Batra, Y; Tripathi, A; Kanjilal, D

2007-06-01

Nanocrystalline tin oxide (SnO2) thin films grown by RF magnetron sputtering technique were characterized by UV-Visible absorption spectroscopy and Photoluminescence spectroscopy. From atomic force microscopic (AFM) and Glancing angle X-ray diffraction (GAXRD) measurements, the radius of grains was found to be approximately 6+/-2 nm. The thin films were bombarded with 250 keV Xe2+ ion beam to observe the stability of nanophases against radiation. For ion bombarded films, optical absorption band edge is shifted towards red region. Atomic force microscopy studies show that the radius of the grains was increased to approximately 8 +/- 1 nm and the grains were nearly uniform in size. The size of the grains has been reduced after ion bombardment in the case of films grown on Si. During this process, defects such as vacancies, voids were generated in the films as well as in the substrates. Ion bombardment induces local temperature increase of thin films causing melting of films. Ion beam induced defects enhances the diffusion of atoms leading to uniformity in size of grains. The role of matrix on ion beam induced grain growth is discussed.

Effects of Al3+ and La3+ trivalent metal ions on tomato fruit proteomes

USDA-ARS?s Scientific Manuscript database

The tomato (Solanum lycopersicum) ripening process from mature green (MG) to turning and then to red stages is accompanied by the occurrences of physiological and biochemical reactions, which ultimately result in the formation of the flavor, color and texture of ripe fruits. The two trivalent metal ...

Radiochemical study of reactions of alkyl cations with amines. I. Reactions of methyl and sec-butyl cations with diethylamine

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

Ignat`ev, I.S.; Kochina, T.A.; Nefedov, V.D.

1995-08-10

Ion-molecular gas-phase reactions of free methyl and sec-butyl cations with diethylamine were studied. These reactions proceed via two competing pathways involving formation of a condensation complex or a proton-transfer complex, the latter process predominating. 32 refs., 1 tab.

Investigation of the mechanism of impurity assisted nanoripple formation on Si induced by low energy ion beam erosion

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

Koyiloth Vayalil, Sarathlal, E-mail: sarathlal.koyilothvayalil@desy.de; UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452017; Gupta, Ajay

A detailed mechanism of the nanoripple pattern formation on Si substrates generated by the simultaneous incorporation of pure Fe impurities at low energy (1 keV) ion beam erosion has been studied. To understand and clarify the mechanism of the pattern formation, a comparative analysis of the samples prepared for various ion fluence values using two complimentary methods for nanostructure analysis, atomic force microscopy, and grazing incidence small angle x-ray scattering has been done. We observed that phase separation of the metal silicide formed during the erosion does not precede the ripple formation. It rather concurrently develops along with the ripple structure.more » Our work is able to differentiate among various models existing in the literature and provides an insight into the mechanism of pattern formation under ion beam erosion with impurity incorporation.« less

Ion beam enhancement in magnetically insulated ion diodes for high-intensity pulsed ion beam generation in non-relativistic mode

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

Zhu, X. P.; Surface Engineering Laboratory, School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024; Zhang, Z. C.

High-intensity pulsed ion beam (HIPIB) with ion current density above Child-Langmuir limit is achieved by extracting ion beam from anode plasma of ion diodes with suppressing electron flow under magnetic field insulation. It was theoretically estimated that with increasing the magnetic field, a maximal value of ion current density may reach nearly 3 times that of Child-Langmuir limit in a non-relativistic mode and close to 6 times in a highly relativistic mode. In this study, the behavior of ion beam enhancement by magnetic insulation is systematically investigated in three types of magnetically insulated ion diodes (MIDs) with passive anode, takingmore » into account the anode plasma generation process on the anode surface. A maximal enhancement factor higher than 6 over the Child-Langmuir limit can be obtained in the non-relativistic mode with accelerating voltage of 200–300 kV. The MIDs differ in two anode plasma formation mechanisms, i.e., surface flashover of a dielectric coating on the anode and explosive emission of electrons from the anode, as well as in two insulation modes of external-magnetic field and self-magnetic field with either non-closed or closed drift of electrons in the anode-cathode (A-K) gap, respectively. Combined with ion current density measurement, energy density characterization is employed to resolve the spatial distribution of energy density before focusing for exploring the ion beam generation process. Consistent results are obtained on three types of MIDs concerning control of neutralizing electron flows for the space charge of ions where the high ion beam enhancement is determined by effective electron neutralization in the A-K gap, while the HIPIB composition of different ion species downstream from the diode may be considerably affected by the ion beam neutralization during propagation.« less

Static time-of-flight secondary ion mass spectrometry analysis of microelectronics related substrates using a polyatomic ion source

NASA Astrophysics Data System (ADS)

Ravanel, X.; Trouiller, C.; Juhel, M.; Wyon, C.; Kwakman, L. F. Tz.; Léonard, D.

2008-12-01

Recent time-of-flight secondary ion mass spectrometry studies using primary ion cluster sources such as Au n+, SF 5+, Bi n+ or C 60+ have shown the great advantages in terms of secondary ion yield enhancement and ion formation efficiency of polyatomic ion sources as compared to monoatomic ion sources like the commonly used Ga +. In this work, the effective gains provided by such a source in the static ToF-SIMS analysis of microelectronics devices were investigated. Firstly, the influence of the number of atoms in the primary cluster ion on secondary ion formation was studied for physically adsorbed di-isononyl phthalate (DNP) (plasticizer) and perfluoropolyether (PFPE). A drastic increase in secondary ion formation efficiency and a much lower detection limit were observed when using a polyatomic primary ion. Moreover, the yield of the higher mass species was much enhanced indicating a lower degree of fragmentation that can be explained by the fact that the primary ion energy is spread out more widely, or that there is a lower energy per incoming ion. Secondly, the influence of the number of Bi atoms in the Bi n primary ion on the information depth was studied using reference thermally grown silicon oxide samples. The information depth provided by a Bi n cluster was shown to be lowered when the number of atoms in the aggregate was increased.

Ion-beam-induced nanodots formation from Au/Si thin films on quartz surface

NASA Astrophysics Data System (ADS)

Datta, D. P.; Siva, V.; Singh, A.; Joshi, S. R.; Kanjilal, D.; Sahoo, P. K.

2016-07-01

We report the synthesis of Si nanodots on quartz surface using ion irradiation. When a bi-layer of ultrathin Au and Si on quartz surface is irradiated by 500 keV Xe-ion beam, the bi-layer spontaneously transforms into nanodots at a fluence of 5 × 1014 ions cm-2. The spatial density and diameter of the nanodots are reduced with increase in applied ion fluence. The nanostructures exhibit photoluminescence in the visible range at room temperature where the intensity and wavelength depends upon ion fluence. The observed evolution seems to be correlated to ion beam mixing induced silicide formation at Au-Si interface.

An Improved Process for Precipitating Cyanide Ions from the Barren Solution at Different pHs

NASA Astrophysics Data System (ADS)

Figueroa, Gabriela V.; Parga, José R.; Valenzuela, Jesus L.; Vázquez, Victor; Valenzuela, Alejandro; Rodriguez, Mario

2016-02-01

In recent decades, the use of metal sulfides instead of hydroxide precipitation in hydrometallurgical processes has gained prominence. Some arguments for its preferential use are as follows: a high degree of metal removal at relatively low pH values, the sparingly soluble nature of sulfide precipitates, favorable dewatering characteristics, and the stability of the formed metal sulfides. The Merrill-Crowe zinc-precipitation process has been applied worldwide in a large number of operations for the recovery of gold and silver from cyanide solutions. However, in some larger plants, the quality of this precious precipitate is low because copper, zinc and especially lead are precipitated along with gold and silver. This results in higher consumption of zinc dust and flux during the smelting of the precipitate, the formation of the matte, and a shorter crucible life. The results show that pH has a significant effect on the removal efficiency of zinc and copper cyanide ions. The optimal pH range was determined to be 3-4, and the removal efficiency of zinc and copper cyanide ions was up to 99%.

Non-Destructive Monitoring of Charge-Discharge Cycles on Lithium Ion Batteries using 7Li Stray-Field Imaging

PubMed Central

Tang, Joel A.; Dugar, Sneha; Zhong, Guiming; Dalal, Naresh S.; Zheng, Jim P.; Yang, Yong; Fu, Riqiang

2013-01-01

Magnetic resonance imaging provides a noninvasive method for in situ monitoring of electrochemical processes involved in charge/discharge cycling of batteries. Determining how the electrochemical processes become irreversible, ultimately resulting in degraded battery performance, will aid in developing new battery materials and designing better batteries. Here we introduce the use of an alternative in situ diagnostic tool to monitor the electrochemical processes. Utilizing a very large field-gradient in the fringe field of a magnet, stray-field-imaging (STRAFI) technique significantly improves the image resolution. These STRAFI images enable the real time monitoring of the electrodes at a micron level. It is demonstrated by two prototype half-cells, graphite∥Li and LiFePO4∥Li, that the high-resolution 7Li STRAFI profiles allow one to visualize in situ Li-ions transfer between the electrodes during charge/discharge cyclings as well as the formation and changes of irreversible microstructures of the Li components, and particularly reveal a non-uniform Li-ion distribution in the graphite. PMID:24005580

A 3D-analysis of cluster formation and dynamics of the X(-)-benzene (X = F, Cl, Br, I) ionic dimer solvated by Ar atoms.

PubMed

Albertí, Margarita; Huarte-Larrañaga, Fermín; Aguilar, Antonio; Lucas, José M; Pirani, Fernando

2011-05-14

The specific influence of X(-) ions (X = F,Cl, Br, I) in the solvation process of halide-benzene (X(-)-Bz) ionic heterodimers by Ar atoms is investigated by means of molecular dynamic (MD) simulations. The gradual evolution from cluster rearrangement to solvation dynamics is discussed by considering ensembles of n (n = 1-15 and n = 30) Ar atoms around the X(-)-Bz stable ionic dimers. The potential energy surfaces employed are based on an atom/ion-atom and atom/ion-bond decomposition, which has been developed previously by some of the authors. The outcome of the dynamics is analyzed by employing radial distribution functions (RDF) and tridimensional (3D) probability densities.

Rheological properties and formation mechanism of DC electric fields induced konjac glucomannan-tungsten gels.

PubMed

Wang, Lixia; Jiang, Yaoping; Lin, Youhui; Pang, Jie; Liu, Xiang Yang

2016-05-20

Konjac glucomannan-tungsten (KGM-T) hydrogel of electrochemical reversibility was successfully produced under DC electric fields in the presence of sodium tungstate. The structure and the effects of sodium tungstate concentration, KGM concentration, voltage and electric processing time on the rheological properties of the gels were investigated. pH experiments showed that KGM sol containing Na2WO4·2H2O in the vicinity of the positive electrode became acidic and the negative electrode basic after the application of DC electric fields. Under acid conditions, WO4(2-) ions transformed into isopoly-tungstic acid ions. FTIR and Raman studies indicated that isopoly-tungstic acid ions absorbed on KGM molecular chain and cross-linked with -OH groups at C-6 position on sugar units of KGM. Frequency sweep data showed with increasing sodium tungstate concentration, voltage, and electric processing time, the viscoelastic moduli, i.e., the storage and the loss moduli of the gel increased, whereas an increase in KGM concentration led to a decrease in gel viscoelastic moduli. The temperature sweep measurements indicated the obtained gel exhibited high thermal stability. Finally, the mechanism of gel formation was proposed. Our work may pave the way to use DC electric fields for the design and development of KGM gels as well as polysaccharide gels. Copyright © 2016 Elsevier Ltd. All rights reserved.

Artificial Solid Electrolyte Interphase-Protected LixSi Nanoparticles: An Efficient and Stable Prelithiation Reagent for Lithium-Ion Batteries.

PubMed

Zhao, Jie; Lu, Zhenda; Wang, Haotian; Liu, Wei; Lee, Hyun-Wook; Yan, Kai; Zhuo, Denys; Lin, Dingchang; Liu, Nian; Cui, Yi

2015-07-08

Prelithiation is an important strategy to compensate for lithium loss in lithium-ion batteries, particularly during the formation of the solid electrolyte interphase (SEI) from reduced electrolytes in the first charging cycle. We recently demonstrated that LixSi nanoparticles (NPs) synthesized by thermal alloying can serve as a high-capacity prelithiation reagent, although their chemical stability in the battery processing environment remained to be improved. Here we successfully developed a surface modification method to enhance the stability of LixSi NPs by exploiting the reduction of 1-fluorodecane on the LixSi surface to form a continuous and dense coating through a reaction process similar to SEI formation. The coating, consisting of LiF and lithium alkyl carbonate with long hydrophobic carbon chains, serves as an effective passivation layer in the ambient environment. Remarkably, artificial-SEI-protected LixSi NPs show a high prelithiation capacity of 2100 mA h g(-1) with negligible capacity decay in dry air after 5 days and maintain a high capacity of 1600 mA h g(-1) in humid air (∼10% relative humidity). Silicon, tin, and graphite were successfully prelithiated with these NPs to eliminate the irreversible first-cycle capacity loss. The use of prelithiation reagents offers a new approach to realize next-generation high-energy-density lithium-ion batteries.

Importance of bicarbonate transport in pH control during amelogenesis - need for functional studies.

PubMed

Varga, G; DenBesten, P; Rácz, R; Zsembery, Á

2017-08-18

Dental enamel, the hardest mammalian tissue, is produced by ameloblasts. Ameloblasts show many similarities to other transporting epithelia although their secretory product, the enamel matrix, is quite different. Ameloblasts direct the formation of hydroxyapatite crystals, which liberate large quantities of protons that then need to be buffered to allow mineralization to proceed. Buffering requires a tight pH regulation and secretion of bicarbonate by ameloblasts. Many investigations have used immunohistochemical and knockout studies to determine the effects of these genes on enamel formation, but up till recently very little functional data were available for mineral ion transport. To address this, we developed a novel 2D in vitro model using HAT-7 ameloblast cells. HAT-7 cells can be polarized and develop functional tight junctions. Furthermore, they are able to accumulate bicarbonate ions from the basolateral to the apical fluid spaces. We propose that in the future, the HAT-7 2D system along with similar cellular models will be useful to functionally model ion transport processes during amelogenesis. Additionally, we also suggest that similar approaches will allow a better understanding of the regulation of the cycling process in maturation-stage ameloblasts, and the pH sensory mechanisms, which are required to develop sound, healthy enamel. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd. All rights reserved.

Influence of thermal annealing and radiation enhanced diffusion processes on surface plasmon resonance of gold implanted dielectric matrices

NASA Astrophysics Data System (ADS)

Devi, Ksh. Devarani; Ojha, Sunil; Singh, Fouran

2018-03-01

Gold nanoparticles (AuNPs) embedded in fused silica and sapphire dielectric matrices were synthesized by Au ion implantation. Systematic investigations were carried out to study the influence of implantation dose, post annealing temperature, swift heavy ion (SHI) irradiation and radiation enhanced diffusion (RED). Rutherford Backscattering Spectrometry (RBS) measurements were carried out to quantify concentration and depth profile of Au present in the host matrices. X-ray diffraction (XRD) was employed to characterize AuNPs formation. As-implanted and post-annealed films were irradiated using 100 MeV Ag ions to investigate the effect of electronic energy deposition on size and shape of NPs, which is estimated indirectly by the peak shape analysis of surface plasmon resonance (SPR). The effect of volume fraction of Au and their redistribution is also reported. A strong absorption in near infra red region is also noticed and understood by the formation of percolated NPs in dielectric matrices. It is quite clear from these results that the effect of RED assisted Oswald ripening is much more pronounced than the conventional Oswald ripening for the growth of NPs in the case of silica host matrices. However for sapphire matrices, it seems that growth of NPs already completed during implantation and it may be attributed to the high diffusivity of Au in sapphire matrices during implantation process.

Facile preparation of a zinc-based alloy composite as a novel anode material for rechargeable lithium-ion batteries

NASA Astrophysics Data System (ADS)

Hung, Nguyen Thanh; Bae, Joonwon; Kim, Ji Hyeon; Son, Hyung Bin; Kim, Il Tae; Hur, Jaehyun

2018-01-01

We report a new Zn-based nanocomposite anode material (Zn-Ti-C) for lithium-ion batteries synthesized by thermal treatment and a high energy mechanical milling process. X-ray diffraction and high-resolution transmission electron microscopy revealed the formation of active Zn nanoparticles finely dispersed in the hybrid titanium carbide (TiC) and carbon matrix. Electrochemical analyses show that the formation of the TiC and carbon buffer matrix significantly contributed to the improved performance of the Zn-based electrode by mitigating the volume changes of the Zn nanoparticles during the charge/discharge processes. Furthermore, we optimized the stoichiometric ratio of Zn and Ti in terms of specific capacity, cycling performance, and rate capability in the presence of carbon. The material with a 2:1 atomic ratio (ZnTi(2:1)-C) exhibited the best cycle life, with a gravimetric capacity of 363.6 mAh g-1 and a volumetric capacity of 472.7 mAh cm-3 after 300 charge/discharge cycles (78.1% retention). At this ratio, Zn-Ti-C consistently showed the best rate capability measurements up to 3000 mA g-1 (85% of its capacity at 100 mA g-1). Therefore, our Zn-Ti-C composite is a promising alternative negative electrode material for lithium-ion batteries.

Deuterium and 15N fractionation in N2H+ during the formation of a Sun-like star

NASA Astrophysics Data System (ADS)

De Simone, M.; Fontani, F.; Codella, C.; Ceccarelli, C.; Lefloch, B.; Bachiller, R.; López-Sepulcre, A.; Caux, E.; Vastel, C.; Soldateschi, J.

2018-05-01

Although chemical models predict that the deuterium fractionation in N2H+ is a good evolutionary tracer in the star formation process, the fractionation of nitrogen is still a poorly understood process. Recent models have questioned the similar evolutionary trend expected for the two fractionation mechanisms in N2H+, based on a classical scenario in which ion-neutral reactions occurring in cold gas should have caused an enhancement of the abundance of N2D+, 15NNH+, and N15NH+. In the framework of the ASAI IRAM-30m large program, we have investigated the fractionation of deuterium and 15N in N2H+ in the best known representatives of the different evolutionary stages of the Sun-like star formation process. The goal is to ultimately confirm (or deny) the classical `ion-neutral reactions' scenario that predicts a similar trend for D and 15N fractionation. We do not find any evolutionary trend of the 14N/15N ratio from both the 15NNH+ and N15NH+ isotopologues. Therefore, our findings confirm that, during the formation of a Sun-like star, the core evolution is irrelevant in the fractionation of 15N. The independence of the 14N/15N ratio with time, found also in high-mass star-forming cores, indicates that the enrichment in 15N revealed in comets and protoplanetary discs is unlikely to happen at core scales. Nevertheless, we have firmly confirmed the evolutionary trend expected for the H/D ratio, with the N2H+/N2D+ ratio decreasing before the pre-stellar core phase, and increasing monotonically during the protostellar phase. We have also confirmed clearly that the two fractionation mechanisms are not related.

Method of controlling scale in oil recovery operations

DOEpatents

Krajicek, Richard W.

1981-01-01

Disclosed is a method of producing highly viscous minerals from a subterranean formation by injection of an acidic, thermal vapor stream without substantial scale buildup in downstream piping, pumps and well bore. The process comprises heating the formation by injection of heat, preferably in the form of a thermal vapor stream composed of combustion gases and steam and injecting an acidic compound simultaneously with the thermal vapor stream into the formation at a temperature above the dew point of the thermal vapor stream. The acidic, thermal vapor stream increases the solubility of metal ions in connate water and thus reduces scaling in the downstream equipment during the production of viscous hydrocarbons.

Dynamics of inhomogeneous chiral condensates

NASA Astrophysics Data System (ADS)

Carlomagno, Juan Pablo; Krein, Gastão; Kroff, Daniel; Peixoto, Thiago

2018-01-01

We study the dynamics of the formation of inhomogeneous chirally broken phases in the final stages of a heavy-ion collision, with particular interest on the time scales involved in the formation process. The study is conducted within the framework of a Ginzburg-Landau time evolution, driven by a free energy functional motivated by the Nambu-Jona-Lasinio model. Expansion of the medium is modeled by one-dimensional Bjorken flow and its effect on the formation of inhomogeneous condensates is investigated. We also use a free energy functional from a nonlocal Nambu-Jona-Lasinio model which predicts metastable phases that lead to long-lived inhomogeneous condensates before reaching an equilibrium phase with homogeneous condensates.

One-Step Formation of Silicon-Graphene Composites from Silicon Sludge Waste and Graphene Oxide via Aerosol Process for Lithium Ion Batteries

PubMed Central

Kim, Sun Kyung; Kim, Hyekyoung; Chang, Hankwon; Cho, Bong-Gyoo; Huang, Jiaxing; Yoo, Hyundong; Kim, Hansu; Jang, Hee Dong

2016-01-01

Over 40% of high-purity silicon (Si) is consumed as sludge waste consisting of Si, silicon carbide (SiC) particles and metal impurities from the fragments of cutting wire mixed in ethylene glycol based cutting fluid during Si wafer slicing in semiconductor fabrication. Recovery of Si from the waste Si sludge has been a great concern because Si particles are promising high-capacity anode materials for Li ion batteries. In this study, we report a novel one-step aerosol process that not only extracts Si particles but also generates Si-graphene (GR) composites from the colloidal mixture of waste Si sludge and graphene oxide (GO) at the same time by ultrasonic atomization-assisted spray pyrolysis. This process supports many advantages such as eco-friendly, low-energy, rapid, and simple method for forming Si-GR composite. The morphology of the as-formed Si-GR composites looked like a crumpled paper ball and the average size of the composites varied from 0.6 to 0.8 μm with variation of the process variables. The electrochemical performance was then conducted with the Si-GR composites for Lithium Ion Batteries (LIBs). The Si-GR composites exhibited very high performance as Li ion battery anodes in terms of capacity, cycling stability, and Coulombic efficiency. PMID:27646853

Femtosecond-picosecond laser photolysis studies on the dynamics of excited charge-transfer complexes: Aromatic hydrocarbon-acid anhydride, -tetracyanoethylene, and -tetracyanoquinodimethane systems in acetonitrile solutions

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

Asahi, Tsuyoshi; Mataga, Noboru

1991-03-07

Formation processes of contact ion pairs (CIP) from the excited Franck-Condon (FC) state of charge-transfer (CT) complexes of aromatic hydrocarbons with acid anhydride as well as cyano compound acceptors in acetonitrile solution and charge recombination (CR) rates (k{sub CR}{sup CIP}) of produced CIP states have been investigated by femtosecond and picosecond laser phototlysis and time-resolved absorption spectral measurements covering a wide range of free energy gap-{Delta}G{degree}{sub ip} between the ion pair and the ground state. It has been confirmed that the CIP formation becomes faster and k{sub CR}{sup CIP} of the produced CIP increases with increase of the strengths ofmore » the electron donor (D) and acceptor (A) in the complex, i.e., with decrease of the {minus}{Delta}G{degree}{sub ip} value. This peculiar energy gap dependence of k{sub CR}{sup CIP}, quite different from the bell-shaped one observed in the case of the solvent-separated ion pairs (SSIP) or loose ion pairs (LIP) formed by encounter between fluorescer and quencher in the fluoresence quenching reaction, has been interpreted by assuming the change of electronic and geometrical structures of CIP depending on the strengths of D and A.« less

Ion pair particles at the air–water interface

NASA Astrophysics Data System (ADS)

Kumar, Manoj; Francisco, Joseph S.

2017-11-01

Although the role of methanesulfonic acid (HMSA) in particle formation in the gas phase has been extensively studied, the details of the HMSA-induced ion pair particle formation at the air–water interface are yet to be examined. In this work, we have performed Born–Oppenheimer molecular dynamics simulations and density functional theory calculations to investigate the ion pair particle formation from HMSA and (R1)(R2)NH (for NH3, R1 = R2 = H; for CH3NH2, R1 = H and R2 = CH3; and for CH3NH2, R1 = R2 = CH3) at the air–water interface. The results show that, at the air–water interface, HMSA deprotonates within a few picoseconds and results in the formation of methanesulfonate ion (MSA‑)ṡṡH3O+ ion pair. However, this ion pair decomposes immediately, explaining why HMSA and water alone are not sufficient for forming stable particles in atmosphere. Interestingly, the particle formation from the gas-phase hydrogen-bonded complexes of HMSA with (R1)(R2)NH on the water droplet is observed with a few femtoseconds, suggesting a mechanism for the gas to particle conversion in aqueous environments. The reaction involves a direct proton transfer between HMSA and (R1)(R2)NH, and the resulting MSA‑ṡṡ(R1)(R2)NH2+ complex is bound by one to four interfacial water molecules. The mechanistic insights gained from this study may serve as useful leads for understanding about the ion pair particle formation from other precursors in forested and polluted urban environments.

Formation mechanism of the photomask blanks material related haze

NASA Astrophysics Data System (ADS)

Kim, Jung-Jin; Choi, Junyoul; Koh, Soowan; Kim, Minho; Lee, Jiyoung; Lee, Han-Shin; Kim, Byung Gook; Jeon, Chan-uk

2016-05-01

We have observed a new type haze of which formation deviates from the generally accepted models with respect to the size, shape, and removability by chemicals. It has very small size of 50~100nm and are crowded around the cell boundary, while the typical haze doesn't prefer a special region on mask in the majority of cases. It is hard to remove by general cleaning, while the typical haze is easily removed by general cleaning process and even de-ionized water. It is confirmed that the source of the haze is blank material related ions which are formed by chemical etching of blanks during mask cleaning process or the photomask blanks itself.

Non-aqueous Electrode Processing and Construction of Lithium-ion Coin Cells.

PubMed

Stein, Malcolm; Chen, Chien-Fan; Robles, Daniel J; Rhodes, Christopher; Mukherjee, Partha P

2016-02-01

Research into new and improved materials to be utilized in lithium-ion batteries (LIB) necessitates an experimental counterpart to any computational analysis. Testing of lithium-ion batteries in an academic setting has taken on several forms, but at the most basic level lies the coin cell construction. In traditional LIB electrode preparation, a multi-phase slurry composed of active material, binder, and conductive additive is cast out onto a substrate. An electrode disc can then be punched from the dried sheet and used in the construction of a coin cell for electrochemical evaluation. Utilization of the potential of the active material in a battery is critically dependent on the microstructure of the electrode, as an appropriate distribution of the primary components are crucial to ensuring optimal electrical conductivity, porosity, and tortuosity, such that electrochemical and transport interaction is optimized. Processing steps ranging from the combination of dry powder, wet mixing, and drying can all critically affect multi-phase interactions that influence the microstructure formation. Electrochemical probing necessitates the construction of electrodes and coin cells with the utmost care and precision. This paper aims at providing a step-by-step guide of non-aqueous electrode processing and coin cell construction for lithium-ion batteries within an academic setting and with emphasis on deciphering the influence of drying and calendaring.

Non-aqueous Electrode Processing and Construction of Lithium-ion Coin Cells

PubMed Central

Stein, Malcolm; Chen, Chien-Fan; Robles, Daniel J.; Rhodes, Christopher; Mukherjee, Partha P.

2016-01-01

Research into new and improved materials to be utilized in lithium-ion batteries (LIB) necessitates an experimental counterpart to any computational analysis. Testing of lithium-ion batteries in an academic setting has taken on several forms, but at the most basic level lies the coin cell construction. In traditional LIB electrode preparation, a multi-phase slurry composed of active material, binder, and conductive additive is cast out onto a substrate. An electrode disc can then be punched from the dried sheet and used in the construction of a coin cell for electrochemical evaluation. Utilization of the potential of the active material in a battery is critically dependent on the microstructure of the electrode, as an appropriate distribution of the primary components are crucial to ensuring optimal electrical conductivity, porosity, and tortuosity, such that electrochemical and transport interaction is optimized. Processing steps ranging from the combination of dry powder, wet mixing, and drying can all critically affect multi-phase interactions that influence the microstructure formation. Electrochemical probing necessitates the construction of electrodes and coin cells with the utmost care and precision. This paper aims at providing a step-by-step guide of non-aqueous electrode processing and coin cell construction for lithium-ion batteries within an academic setting and with emphasis on deciphering the influence of drying and calendaring. PMID:26863503

Isotopic Measurements in CAIs with the Nanosims: Implications to the understanding of the Formation process of Ca, Al-Rich Inclusions

NASA Technical Reports Server (NTRS)

Ito, M.; Messenger, S.; Walker, Robert M.

2007-01-01

Ca, Al-rich Inclusions (CAIs) preserve evidence of thermal events that they experienced during their formation in the early solar system. Most CAIs from CV and CO chondrites are characterized by large variations in O-isotopic compositions of primary minerals, with spinel, hibonite, and pyroxene being more O-16-rich than melilite and anorthite, with delta 17, O-18 = approx. -40%o (DELTA O-17 = delta O-17 - 0.52 x delta O-18 = approx. - 20%o ). These anomalous compositions cannot be accounted for by standard mass dependent fractionation and diffusive process of those minerals. It requires the presence of an anomalous oxygen reservoir of nucleosynthetic origin or mass independent fractionations before the formation of CAIs in the early solar system. The CAMECA NanoSIMS is a new generation ion microprobe that offers high sensitivity isotopic measurements with sub 100 nm spatial resolution. The NanoSIMS has significantly improved abilities in the study of presolar grains in various kind of meteorites and the decay products of extinct nuclides in ancient solar system matter. This instrument promises significant improvements over other conventional ion probes in the precision isotopic characterization of sub-micron scales. We report the results of our first O isotopic measurements of various CAI minerals from EK1-6-3 and 7R19-1(a) utilizing the JSC NanoSIMS 50L ion microprobe. We evaluate the measurement conditions, the instrumental mass fractionation factor (IMF) for O isotopic measurement and the accuracy of the isotopic ratio through the analysis of a San Carlos olivine standard and CAI sample of 7R19-1(a).

Anisotropic Electron Tail Generation during Tearing Mode Magnetic Reconnection

NASA Astrophysics Data System (ADS)

Dubois, Ami

2017-10-01

Magnetic reconnection (MR) plays an important role in particle transport, energization, and acceleration in space, astrophysical, and laboratory plasmas. In the MST RFP, discrete MR events release large amounts of energy from the equilibrium magnetic field, a large fraction of which is transferred to the ions in a non-collisional process. Key features are anisotropic heating, mass and charge dependence, and energetic ion tail formation. Unlike the ions, the thermal electron temperature decreases at MR events, which is consistent with enhanced electron heat transport due to increased magnetic stochasticity. However, new high-speed x-ray spectrum measurements reveal transient formation of a non-Maxwellian energetic electron tail during MR. The energetic tail is characterized by a power-law, E-γ, with the spectral index (γ) decreasing from 4.2 to 2.2 at MR, and then increasing rapidly to 6.8 due to increased stochastic transport. The x-ray emission peaks in a radial view and is symmetric in the toroidal direction, indicating an anisotropic electron tail is generated. The toroidal symmetry of the electron tail implies runaway acceleration is not a dominant process, consistent with the net emf, ηJll, being smaller than the Dreicer field. Modeling of bremsstrahlung emission shows that a power-law electron tail distribution that is localized near the magnetic axis will yield strong perpendicular anisotropy, consistent with x-ray measurements in the radial and toroidal views. A strong correlation between high energy x-ray flux and tearing mode dynamics suggests a turbulent mechanism is active. This implies that the electron tail formation most likely results from a turbulent wave-particle interaction. This work is supported by the US DOE and NSF.

International Symposium on Dissociative Recombination: Theory, Experiment and Applications Held in Lake Louise, Alberta on 28 - 31 May 1988.

DTIC Science & Technology

1988-11-30

recombination research in recent years. An Important advantage of this technique is the fact that ion formation and decay occur in different regions of...It is generally accepted that the primary formation mechanism for H~ ions in a pure hydrogen discharge is the dissjjiative attachment of...review of antimatter cluster Ion formation principles. The impetus for this work is to produce antihydrogen in a condensed form for easy transportation

Effects of pCO2 stress on gene expression and biomineralization of developing larvae of the Pacific oyster Crassostrea gigas.

NASA Astrophysics Data System (ADS)

De Wit, P.; Durland, E.; Ventura, A.; Waldbusser, G. G.; Langdon, C. J.

2016-02-01

The high larval mortalities in oyster hatcheries on the US west coast have gotten large media coverage in the past few years, and the link has been made between occurrences of coastal upwelling of deep water with low carbonate ion availability and abnormal shell formation in hatchery larvae. However, the mechanism by which this happens is still not well understood. In the Pacific oyster, numerous genes are known to be involved in biomineralization but little is known about the timing of gene expression in relation to formation of the initial larval shell. In order to study this process, we scanned all expressed larval genes using an RNA-Seq approach over the time interval of initial shell formation in both control and pCO2-stressed conditions. Scanning the expression data for patterns matching observed shell formation rates (see Fig 1), we identified a number of genes potentially involved in shell nucleation, most of which are involved in transmembrane transport or protein binding. In addition, we also identified a set of co-expressed genes likely to be involved in the cellular early shell formation machinery. This study is the first to investigate the genes involved in the initial larval shell formation in the Pacific oyster. We discover a set of 149 genes that are likely involved in this process from a combination of CPL microscopy and RNA-Seq, most of which are involved in ion transport or protein binding. These are the two main processes involved in shell formation. Additionally, we observe an increase in the relative content of wax esters in control larvae after 18 hours, something not seen in the treatment larvae. The reason for this is not quite clear at this point, but it could be speculated that stressed larvae develop slower, thus consuming lipids at a slower rate. Thus, follow-up experiments that study the long-term effects of changed carbonate chemistry on the genetics of Pacific oysters will be critical for future aquaculture efforts.

Investigation of the influence of irradiation with Fe+7 ions on structural properties of AlN ceramics

NASA Astrophysics Data System (ADS)

Kozlovskiy, A.; Dukenbayev, K.; Ivanov, I.; Kozin, S.; Aleksandrenko, V.; Kurakhmedov, A.; Sambaev, E.; Kenzhina, I.; Tosi, D.; Loginov, V.; Zdorovets, M.

2018-06-01

The paper presents the results of investigation of defect formation in AlN ceramics under Fe+7 ion irradiation with a fluence from 1 × 1011 to 1 × 1014 ion cm‑2. The change in the main crystallographic characteristics, the decrease in the magnitude of Griffiths criterion, and the increase in the average voltage as a result of irradiation are caused by the appearance of additional defects in the structure and their further evolution leading to a change in the degree of crystallinity. For samples irradiated with Fe+7 ions to a dose of 1 × 1011 ion cm‑2, the formation of pyramidal hillocks is observed on the surface, whose average height is 17–20 nm. An increase in the irradiation dose leads to an increase in chillocks size and their density. At the same time, at large irradiation doses, the formation of conglomerates of chyllocks and grooves on the samples surface is observed. The change in surface morphology, the formation of chyllocks on the ceramic surface, and the dependence of the change in crystallographic characteristics during irradiation make it possible to unambiguously associate the formation of radiation defects in the structure of the ceramic with energy losses in elastic and inelastic interactions of iron ions with lattice atoms.

Analysis of glow discharges for understanding the process of film formation

NASA Technical Reports Server (NTRS)

Venugopalan, M.; Avni, R.

1984-01-01

The physical and chemical processes which occur during the formation of different types of films in a variety of glow discharge plasmas are discussed. Emphasis is placed on plasma diagnostic experiments using spectroscopic methods, probe analysis, mass spectrometric sampling and magnetic resonance techniques which are well suited to investigate the neutral and ionized gas phase species as well as some aspects of plasma surface interactions. The results on metallic, semi-conducting and insulating films are reviewed in conjunction with proposed models and the problem encountered under film deposition conditions. It is concluded that the understanding of film deposition process requires additional experimental information on plasma surface interactions of free radicals and the synergetic effects where photon, electron and ion bombardment change the reactivity of the incident radical with the surface.

A branching process model for the analysis of abortive colony size distributions in carbon ion-irradiated normal human fibroblasts.

PubMed

Sakashita, Tetsuya; Hamada, Nobuyuki; Kawaguchi, Isao; Hara, Takamitsu; Kobayashi, Yasuhiko; Saito, Kimiaki

2014-05-01

A single cell can form a colony, and ionizing irradiation has long been known to reduce such a cellular clonogenic potential. Analysis of abortive colonies unable to continue to grow should provide important information on the reproductive cell death (RCD) following irradiation. Our previous analysis with a branching process model showed that the RCD in normal human fibroblasts can persist over 16 generations following irradiation with low linear energy transfer (LET) γ-rays. Here we further set out to evaluate the RCD persistency in abortive colonies arising from normal human fibroblasts exposed to high-LET carbon ions (18.3 MeV/u, 108 keV/µm). We found that the abortive colony size distribution determined by biological experiments follows a linear relationship on the log-log plot, and that the Monte Carlo simulation using the RCD probability estimated from such a linear relationship well simulates the experimentally determined surviving fraction and the relative biological effectiveness (RBE). We identified the short-term phase and long-term phase for the persistent RCD following carbon-ion irradiation, which were similar to those previously identified following γ-irradiation. Taken together, our results suggest that subsequent secondary or tertiary colony formation would be invaluable for understanding the long-lasting RCD. All together, our framework for analysis with a branching process model and a colony formation assay is applicable to determination of cellular responses to low- and high-LET radiation, and suggests that the long-lasting RCD is a pivotal determinant of the surviving fraction and the RBE.

Metal ions differentially influence the aggregation and deposition of Alzheimer's beta-amyloid on a solid template.

PubMed

Ha, Chanki; Ryu, Jungki; Park, Chan Beum

2007-05-22

The abnormal deposition and aggregation of beta-amyloid (Abeta) on brain tissues are considered to be one of the characteristic neuropathological features of Alzheimer's disease (AD). Environmental conditions such as metal ions, pH, and cell membranes are associated with Abeta deposition and plaque formation. According to the amyloid cascade hypothesis of AD, the deposition of Abeta42 oligomers as diffuse plaques in vivo is an important earliest event, leading to the formation of fibrillar amyloid plaques by the further accumulation of soluble Abeta under certain environmental conditions. In order to characterize the effect of metal ions on amyloid deposition and plaque growth on a solid surface, we prepared a synthetic template by immobilizing Abeta oligomers onto a N-hydroxysuccinimide ester-activated solid surface. According to our study using ex situ atomic force microscopy (AFM), Fourier transform infrared spectroscopy (FT-IR), and thioflavin T (ThT) fluorescence spectroscopy, Cu2+ and Zn2+ ions accelerated both Abeta40 and Abeta42 deposition but resulted only in the formation of "amorphous" aggregates. In contrast, Fe3+ induced the deposition of "fibrillar" amyloid plaques at neutral pH. Under mildly acidic environments, the formation of fibrillar amyloid plaques was not induced by any metal ion tested in this work. Using secondary ion mass spectroscopy (SIMS) analysis, we found that binding Cu ions to Abeta deposits on a solid template occurred by the possible reduction of Cu ions during the interaction of Abeta with Cu2+. Our results may provide insights into the role of metal ions on the formation of fibrillar or amorphous amyloid plaques in AD.

TBI server: a web server for predicting ion effects in RNA folding.

PubMed

Zhu, Yuhong; He, Zhaojian; Chen, Shi-Jie

2015-01-01

Metal ions play a critical role in the stabilization of RNA structures. Therefore, accurate prediction of the ion effects in RNA folding can have a far-reaching impact on our understanding of RNA structure and function. Multivalent ions, especially Mg²⁺, are essential for RNA tertiary structure formation. These ions can possibly become strongly correlated in the close vicinity of RNA surface. Most of the currently available software packages, which have widespread success in predicting ion effects in biomolecular systems, however, do not explicitly account for the ion correlation effect. Therefore, it is important to develop a software package/web server for the prediction of ion electrostatics in RNA folding by including ion correlation effects. The TBI web server http://rna.physics.missouri.edu/tbi_index.html provides predictions for the total electrostatic free energy, the different free energy components, and the mean number and the most probable distributions of the bound ions. A novel feature of the TBI server is its ability to account for ion correlation and ion distribution fluctuation effects. By accounting for the ion correlation and fluctuation effects, the TBI server is a unique online tool for computing ion-mediated electrostatic properties for given RNA structures. The results can provide important data for in-depth analysis for ion effects in RNA folding including the ion-dependence of folding stability, ion uptake in the folding process, and the interplay between the different energetic components.

Slow positron beam study of hydrogen ion implanted ZnO thin films

NASA Astrophysics Data System (ADS)

Hu, Yi; Xue, Xudong; Wu, Yichu

2014-08-01

The effects of hydrogen related defect on the microstructure and optical property of ZnO thin films were investigated by slow positron beam, in combination with x-ray diffraction, infrared and photoluminescence spectroscopy. The defects were introduced by 90 keV proton irradiation with doses of 1×1015 and 1×1016 ions cm-2. Zn vacancy and OH bonding (VZn+OH) defect complex were identified in hydrogen implanted ZnO film by positron annihilation and infrared spectroscopy. The formation of these complexes led to lattice disorder in hydrogen implanted ZnO film and suppressed the luminescence process.

Interfacial solvation thermodynamics

NASA Astrophysics Data System (ADS)

Ben-Amotz, Dor

2016-10-01

Previous studies have reached conflicting conclusions regarding the interplay of cavity formation, polarizability, desolvation, and surface capillary waves in driving the interfacial adsorptions of ions and molecules at air-water interfaces. Here we revisit these questions by combining exact potential distribution results with linear response theory and other physically motivated approximations. The results highlight both exact and approximate compensation relations pertaining to direct (solute-solvent) and indirect (solvent-solvent) contributions to adsorption thermodynamics, of relevance to solvation at air-water interfaces, as well as a broader class of processes linked to the mean force potential between ions, molecules, nanoparticles, proteins, and biological assemblies.

Challenges of nickel silicidation in CMOS technologies

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

Breil, Nicolas; Lavoie, Christian; Ozcan, Ahmet

2015-04-01

In our paper, we review some of the key challenges associated with the Ni silicidation process in the most recent CMOS technologies. The introduction of new materials (e.g.SiGe), and of non-planar architectures bring some important changes that require fundamental investigation from a material engineering perspective. Following a discussion of the device architecture and silicide evolution through the last CMOS generations, we focus our study on a very peculiar defect, termed NiSi-Fangs. We describe a mechanism for the defect formation, and present a detailed material analysis that supports this mechanism. We highlight some of the possible metal enrichment processes of themore » nickel monosilicide such as oxidation or various RIE (Reactive Ion Etching) plasma process, leading to a metal source available for defect formation. Furthermore, we investigate the NiSi formation and re-formation silicidation differences between Si and SiGe materials, and between (1 0 0) and (1 1 1) orientations. Finally, we show that the thermal budgets post silicidation can lead to the formation of NiSi-Fangs if the structure and the processes are not optimized. Beyond the understanding of the defect and the discussion on the engineering solutions used to prevent its formation, the interest of this investigation also lies in the fundamental learning within the Ni–Pt–Si–Ge system and some additional perspective on Ni-based contacts to advanced microelectronic devices.« less

Active Mechanism of the Interphase Film-Forming Process for an Electrolyte Based on a Sulfolane Solvent and a Chelato-Borate Complexe.

PubMed

Li, Chunlei; Wang, Peng; Li, Shiyou; Zhao, Dongni; Zhao, Qiuping; Liu, Haining; Cui, Xiao-Ling

2018-06-14

Electrolytes based on sulfolane (SL) solvents and lithium bis(oxalato)borate (LiBOB) chelato-borate complexes have been reported many times for use in advanced lithium-ion batteries due to their many advantages. This study aims to clarify the active mechanism of the interphase film-forming process to optimize the properties of these batteries by experimental analysis and theoretical calculations. The results indicate that the self-repairing film-forming process during the first cycle is divided into three stages: the initial film formation with an electric field force of ~1.80 V, the further growth of the preformation solid electrolyte interface (SEI) film at ~1.73 V, and the final formation of a complete SEI film at a potential below 0.7 V. Additionally, we can deduce that the decomposition of LiBOB and SL occurs throughout nearly the entire process of the formation of the SEI film. The decomposition product of BOB- anions tends to form films with an irregular structure, while the decomposition product of SL is in favor of the formation of a uniform SEI film.

The Features of Condensate Water and Its Guide on Gas Proudction in upper Triassic Gas Reservoir of Western Sichuan Depression, China

NASA Astrophysics Data System (ADS)

Shang, C.; Lou, Z.

2012-12-01

In upper Triassic Xujiahe Formation of western Sichuan depression, China, there developed ultrathight sandstones reservoirs, of which the mean porosity is 4.02% and the permeability mode is less than 0.1×10-3μm2. Because of the ultrathight sandstones, thick gaseous- liquid phase transition develops in the upper Trassic Xujiahe Formation. The absolute quantity of gaseous water is lager. Due to the change of temperature and pressure at the wellhead, the gaseous water in gas reservoir becomes condensate water. Therefore, the condensate water of low salinity can be widely found at the original productive process in the Xujiahe Formation reservoir, such as wells named Lian 150, Xin 851, Xin 853, Xin 856, Dayi 101, Dayi 103. The main cations are K++Na+, while the anions are HCO3- and Cl-. The main water type is CaCl2, followed by NaHCO3, Na2SO4 and MgCl2. The PH of condensate water is 5.28-8.20 with mean value 6.40. The salinity of condensate water is lower than that of formation water. The milligram equivalent (mEq) percent of ion is used to study the features of condensate water. The anions (mEq) distribution of condensate water are scattered in ternary diagram, while that of formation water concentrate upon the SO42- and Cl- endpoints. The percent of HCO3-(mEq) in condensate water is higher than that of formation water. There is no obvious difference of cations mEq percent between condensate water and formation water, which indicates that condensate water strongly affected by formation water. Through this study, condensate water may originate from formation water and then be affected by complicated physical and chemical interactions. The condensate water is affected by gas and formation water. The relationship between condensate water and gas yield is very close. The variations of water yield, salinity and ions composition can reflect the change of gas yield. Taking well Xin 856 for example, which is located in Xinchang gas felid, there exist a relationship between the condensate water yield and the gas yield. The sequence of high- medial -low gas yield is in consistent with the variation of condensate water - mixture water- formation water, in well Xin 856. In addition, water-gas ratio increases gradually from 0.049 m3/104m3 to 258.54 m3/104m3, in the whole process. Based on water yield of well Xin 856, the transition from condensate water to formation water can be indicated by the increase of salinity and the decrease of mEq percent of HCO3-. The percent of ions (mEq) of condensate water and formation water in Xujiahe formation gas reservoir of western Sichuan depression. a the percent of cations (mEq); b the percent of anions (mEq)

Formation and ascent of nonisothermal ionospheric and chromospheric bubbles

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

Genkin, L.G.; Erukhimov, L.M.; Myasnikov, E.N.

1987-11-01

The influences of nonisothermicity on the dynamics of ionospheric and chromospheric bubbles is discussed. The possibility of the existence in the ionosphere of a recombination-thermal instability, arising from the temperature dependence of the coefficient of charge exchange between molecules and atomic ions, is shown, and its influence on the formation and evolution of equatorial bubbles is analyzed. It is shown that the formation and dynamics of bubbles may depend on recombination processes and gravity, while plasma heating (predominantly by vertical electric fields) leads to the deepening and preservation of bubbles as they move to greater altitudes. The hypothesis is advancedmore » that the formation of bubbles may be connected with the ascent of clumps of molecules in ionospheric tornados.« less

Study of beam optics and beam halo by integrated modeling of negative ion beams from plasma meniscus formation to beam acceleration

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

Miyamoto, K.; Okuda, S.; Hatayama, A.

2013-01-14

To understand the physical mechanism of the beam halo formation in negative ion beams, a two-dimensional particle-in-cell code for simulating the trajectories of negative ions created via surface production has been developed. The simulation code reproduces a beam halo observed in an actual negative ion beam. The negative ions extracted from the periphery of the plasma meniscus (an electro-static lens in a source plasma) are over-focused in the extractor due to large curvature of the meniscus.

Anomalously enhanced hydration of aqueous electrolyte solution in hydrophobic carbon nanotubes to maintain stability.

PubMed

Ohba, Tomonori

2014-02-24

An understanding of the structure and behavior of electrolyte solutions in nanoenvironements is crucial not only for a wide variety of applications, but also for the development of physical, chemical, and biological processes. We demonstrate the structure and stability of electrolyte in carbon nanotubes using hybrid reverse Monte Carlo simulations of X-ray diffraction patterns. Hydrogen bonds between water are adequately formed in carbon nanotubes, although some hydrogen bonds are restricted by the interfaces of carbon nanotubes. The hydrogen bonding network of water in electrolyte in the carbon nanotubes is further weakened. On the other hand, formation of the ion hydration shell is significantly enhanced in the electrolyte in the carbon nanotubes in comparison to ion hydration in bulk electrolyte. The significant hydrogen bond and hydration shell formation are a result of gaining stability in the hydrophobic nanoenvironment. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Kinetics of carbide formation in the molybdenum-tungsten coatings used in the ITER-like Wall

NASA Astrophysics Data System (ADS)

Maier, H.; Rasinski, M.; von Toussaint, U.; Greuner, H.; Böswirth, B.; Balden, M.; Elgeti, S.; Ruset, C.; Matthews, G. F.

2016-02-01

The kinetics of tungsten carbide formation was investigated for tungsten coatings on carbon fibre composite with a molybdenum interlayer as they are used in the ITER-like Wall in JET. The coatings were produced by combined magnetron sputtering and ion implantation. The investigation was performed by preparing focused ion beam cross sections from samples after heat treatment in argon atmosphere. Baking of the samples was done at temperatures of 1100 °C, 1200 °C, and 1350 °C for hold times between 30 min and 20 h. It was found that the data can be well described by a diffusional random walk with a thermally activated diffusion process. The activation energy was determined to be (3.34 ± 0.11) eV. Predictions for the isothermal lifetime of this coating system were computed from this information.

Formation mechanism of graphite hexagonal pyramids by argon plasma etching of graphite substrates

NASA Astrophysics Data System (ADS)

Glad, X.; de Poucques, L.; Bougdira, J.

2015-12-01

A new graphite crystal morphology has been recently reported, namely the graphite hexagonal pyramids (GHPs). They are hexagonally-shaped crystals with diameters ranging from 50 to 800 nm and a constant apex angle of 40°. These nanostructures are formed from graphite substrates (flexible graphite and highly ordered pyrolytic graphite) in low pressure helicon coupling radiofrequency argon plasma at 25 eV ion energy and, purportedly, due to a physical etching process. In this paper, the occurrence of peculiar crystals is shown, presenting two hexagonal orientations obtained on both types of samples, which confirms such a formation mechanism. Moreover, by applying a pretreatment step with different time durations of inductive coupling radiofrequency argon plasma, for which the incident ion energy decreases at 12 eV, uniform coverage of the surface can be achieved with an influence on the density and size of the GHPs.

Stable prenucleation mineral clusters are liquid-like ionic polymers

PubMed Central

Demichelis, Raffaella; Raiteri, Paolo; Gale, Julian D.; Quigley, David; Gebauer, Denis

2011-01-01

Calcium carbonate is an abundant substance that can be created in several mineral forms by the reaction of dissolved carbon dioxide in water with calcium ions. Through biomineralization, organisms can harness and control this process to form various functional materials that can act as anything from shells through to lenses. The early stages of calcium carbonate formation have recently attracted attention as stable prenucleation clusters have been observed, contrary to classical models. Here we show, using computer simulations combined with the analysis of experimental data, that these mineral clusters are made of an ionic polymer, composed of alternating calcium and carbonate ions, with a dynamic topology consisting of chains, branches and rings. The existence of a disordered, flexible and strongly hydrated precursor provides a basis for explaining the formation of other liquid-like amorphous states of calcium carbonate, in addition to the non-classical behaviour during growth of amorphous calcium carbonate. PMID:22186886

Theoretical investigation of the effect of hydrogen addition on the formation and properties of soliton in direct current argon plasma

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

Saikia, P., E-mail: partha.008@gmail.com; Goswami, K. S.; Saikia, B. K.

2014-03-15

In this study the effect of hydrogen addition on the formation and properties of soliton in direct-current (DC) argon plasma is theoretically investigated. By coupling fluid equations with Poisons equation for such multi-component plasma, the Mach number and amplitude of the soliton are determined following pseudo potential method. Addition of hydrogen in argon discharge leads to the decrease of electron, Ar{sup +} ion density while a reverse trend was observed for ArH{sup +} and hydrogen like ions. It was found that presence of hydrogen like ions in argon plasma affects the formation of soliton with its amplitude significantly decreases asmore » concentration of hydrogen increases. On the other hand, increase in ion to electron temperature ratios of the lighter ions in the discharge also has a significant influence on the amplitude and formation of soliton. The inverse relation between solitons width and amplitude is found to be consistent for the entire range of study.« less

DIN 1.7035 Steel Modification with High Intensity Nitrogen Ion Implantation

NASA Astrophysics Data System (ADS)

Ryabchikov, A. I.; Sivin, D. O.; Anan'in, P. S.; Ivanova, A. I.; Uglov, V. V.; Korneva, O. S.

2018-06-01

The paper presents research results on the formation of deep ion-modified layers of the grade DIN 1.7035 alloy steel due to a high intensity, repetitively-pulsed nitrogen ion beams with the ion current density of up to 0.5 A/cm2. The formation of a low-energy, high intensity nitrogen ion beam is based on a plasma immersion ion extraction followed by the ballistic focusing in the equipotential drift region. The nitrogen ion implantation in steel specimens is performed at a 1.2 keV energy and 450, 500, 580 and 650°C temperatures during 60 minutes. The morphology, elementary composition and mechanical properties are investigated in deep layers of steel specimens alloyed with nitrogen ions.

Non-covalent and coordination interactions in Cu(II) systems with uridine, uridine 5'-monophosphate and triamine or tetramine as biogenic amine analogues in aqueous solutions.

PubMed

Łomozik, Lechosław; Jastrzab, Renata

2003-10-01

Reactions of metallation and non-covalent interactions have been studied in ternary systems of Cu(II) ions with uridine, uridine 5'-monophosphate and diamines or triamines. It has been found that in metal-free systems the reaction centres of the nucleoside with the polyamine are the donor nitrogen atoms N(3) and protonated -NH(x) groups of the amines. In comparison to systems with adenosine or cytidine, the pH range of complex formation is shifted towards higher values. It is a consequence of significantly higher basicity of uridine and in agreement with the ion-ion, ion-dipole interaction model assumed. Formation of molecular complexes of uridine 5'-monophosphate with polyamines at a low pH is the result of activity of the phosphate group which plays the role of a negatively charged reaction site. Non-covalent interactions interfere in processes of bioligand metallation. Centres of weak interactions are simultaneously binding sites of metal ions. In protonated Cu(Urd)(PA)H(x) complexes, coordination has been found to involve the N(3) atom from the nucleoside and two donor nitrogen atoms from the polyamine (PA). In the heteroligand species Cu(Urd)(PA), despite deprotonation of all amine groups, one of these groups is located outside the inner coordination sphere. In complexes with uridine-5'-monophosphate, the phosphate group is active in metallation. Moreover, in certain coordination compounds this group is engaged in non-covalent interactions with PA molecules, despite binding Cu ions, as has been shown on the basis of equilibrium and spectral studies.

Ionosphere of venus: first observations of day-night variations of the ion composition.

PubMed

Taylor, H A; Brinton, H C; Bauer, S J; Hartle, R E; Cloutier, P A; Daniell, R E; Donahue, T M

1979-07-06

The Bennett radio-frequency ion mass spectrometer on the Pioneer Venus orbiter is returning the first direct composition evidence of the processes responsible for the formation and maintenance of the nightside ionosphere. Early results from predusk through the nightside in the solar zenith angle range 63 degrees (dusk) to 120 degrees (dawn) reveal that, as on the dayside, the lower nightside ionosphere consists of F(1)and F(2) layers dominated by O(2)(+) and O(+), respectively. Also like the dayside, the nightside composition includes distributions of NO(+), C(+), N(+), H(+), He(+), CO(2)(+), and 28(+) (a combination of CO(+) and N(2)(+)). The surprising abundance of the nightside ionosphere appears to be maintained by the transport of O(+) from the dayside, leading also to the formation of O(2)(+) through charge exchange with CO(2). Above the exobase, the upper nightside ionosphere exhibits dramatic variability in apparent response to variations in the solar wind and interplanetary magnetic field, with the ionopause extending to several thousand kilometers on one orbit, followed by the complete rertnoval of thermal ions to altitudes below 200 kilometers on the succeeding orbit, 24 hours later. In the upper ionosphere, considerable structure is evident in many of the nightside ion profiles. Also evident are horizontal ion drifts with velocities up to the order of 1 kilometer per second. Whereas the duskside ionopause is dominated by O(+) H(+) dominates the topside on the dawnside of the antisolar point, indicating two separate regions for ion depletion in the magnetic tail regions.

Adduct ion-targeted qualitative and quantitative analysis of polyoxypregnanes by ultra-high pressure liquid chromatography coupled with triple quadrupole mass spectrometry.

PubMed

Wu, Xu; Zhu, Lin; Ma, Jiang; Ye, Yang; Lin, Ge

2017-10-25

Polyoxypregnane and its glycosides (POPs) are frequently present in plants of Asclepiadaceae family, and have a variety of biological activities. There is a great need to comprehensively profile these phytochemicals and to quantify them for monitoring their contents in the herbs and the biological samples. However, POPs undergo extensive adduct ion formation in ESI-MS, which has posed a challenge for qualitative and quantitative analysis of POPs. In the present study, we took the advantage of such extensive adduct ion formation to investigate the suitability of adduct ion-targeted analysis of POPs. For the qualitative analysis, we firstly demonstrated that the sodium and ammonium adduct ion-targeted product ion scans (PIS) provided adequate MS/MS fragmentations for structural characterization of POPs. Aided with precursor ion (PI) scans, which showed high selectivity and sensitivity and improved peak assignment confidence in conjunction with full scan (FS), the informative adduct ion-targeted PIS enabled rapid POPs profiling. For the quantification, we used formic acid rather than ammonium acetate as an additive in the mobile phase to avoid simultaneous formation of sodium and ammonium adduct ions, and greatly improved reproducibility of MS response of POPs. By monitoring the solely formed sodium adduct ions [M+Na] + , a method for simultaneous quantification of 25 POPs in the dynamic multiple reaction monitoring mode was then developed and validated. Finally, the aforementioned methods were applied to qualitative and quantitative analysis of POPs in the extract of a traditional Chinses medicinal herb, Marsdenia tenacissima (Roxb.) Wight et Arn., and in the plasma obtained from the rats treated with this herb. The results demonstrated that adduct ion formation could be optimized for the qualitative and quantitative analysis of POPs, and our developed PI/FS-PIS scanning and sole [M+Na] + ion monitoring significantly improved the analysis of POPs in both herbal and biological samples. This study also provides implications for the analysis of other compounds which undergo extensive adduct ion formation in ESI-MS. Copyright © 2017 Elsevier B.V. All rights reserved.

On charge exchange effect in the vicinity of the cometopause of Comet Halley

NASA Astrophysics Data System (ADS)

Ip, W.-H.

1989-08-01

In order to explore the physical nature of the cometopause observed at Comet Halley by the Vega spacecraft and by the Giotto probe, the chemical compositional changes and variations of the thermal-energy distributions of the water-group ions are examined, adopting a two-dimensional cometary-plasma flowfield model based on three-dimensional MHD simulations of Fedder et al. (1986). The charge-exchange loss of hot cometary ions and the solar-wind protons could be used to explain the observed number-density profiles quantitatively. The resulting exponential depletion of the hot-ion populations with a scale length of about 10,000 km occurs near 60,000-80,000 km along the trajectory of Giotto, as indicated by both theoretical computations and the ion-mass-spectrometer measurements. The formation of the cometopause located at about 140,000 km is therefore not necessarily as closely related to the charge-exchange process.

CARBONATE METHOD OF SEPARATION OF TETRAVALENT PLUTONIUM FROM FISSION PRODUCT VALUES

DOEpatents

Duffield, R.B.; Stoughton, R.W.

1959-02-01

It has been found that plutonium forms an insoluble precipitate with carbonate ion when the carbonate ion is present in stoichiometric proportions, while an excess of the carbonate ion complexes plutonium and renders it soluble. A method for separating tetravalent plutonium from lanthanum-group rare earths has been based on this discovery, since these rare earths form insoluble carbonates in approximately neutral solutions. According to the process the pH is adjusted to between 5 and 7, and approximately stoichiometric amounts of carbonate ion are added to the solution causing the formation of a precipitate of plutonium carbonate and the lanthanum-group rare earth carbonates. The precipitate is then separated from the solution and contacted with a carbonate solution of a concentration between 1 M and 3 M to complex and redissolve the plutonium precipitate, and thus separate it from the insoluble rare earth precipitate.

Structuring of material parameters in lithium niobate crystals with low-mass, high-energy ion radiation

NASA Astrophysics Data System (ADS)

Peithmann, K.; Eversheim, P.-D.; Goetze, J.; Haaks, M.; Hattermann, H.; Haubrich, S.; Hinterberger, F.; Jentjens, L.; Mader, W.; Raeth, N. L.; Schmid, H.; Zamani-Meymian, M.-R.; Maier, K.

2011-10-01

Ferroelectric lithium niobate crystals offer a great potential for applications in modern optics. To provide powerful optical components, tailoring of key material parameters, especially of the refractive index n and the ferroelectric domain landscape, is required. Irradiation of lithium niobate crystals with accelerated ions causes strong structured modifications in the material. The effects induced by low-mass, high-energy ions (such as 3He with 41 MeV, which are not implanted, but transmit through the entire crystal volume) are reviewed. Irradiation yields large changes of the refractive index Δn, improved domain engineering capability within the material along the ion track, and waveguiding structures. The periodic modification of Δn as well as the formation of periodically poled lithium niobate (PPLN) (supported by radiation damage) is described. Two-step knock-on displacement processes, 3He→Nb and 3He→O causing thermal spikes, are identified as origin for the material modifications.

Final project report for NEET pulsed ion beam project

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

Kucheyev, S. O.

The major goal of this project was to develop and demonstrate a novel experimental approach to access the dynamic regime of radiation damage formation in nuclear materials. In particular, the project exploited a pulsed-ion-beam method in order to gain insight into defect interaction dynamics by measuring effective defect interaction time constants and defect diffusion lengths. This project had the following four major objectives: (i) the demonstration of the pulsed ion beam method for a prototypical nuclear ceramic material, SiC; (ii) the evaluation of the robustness of the pulsed beam method from studies of defect generation rate effects; (iii) the measurementmore » of the temperature dependence of defect dynamics and thermally activated defect-interaction processes by pulsed ion beam techniques; and (iv) the demonstration of alternative characterization techniques to study defect dynamics. As we describe below, all these objectives have been met.« less

Lithium formate ion clusters formation during electrospray ionization: Evidence of magic number clusters by mass spectrometry and ab initio calculations

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

Shukla, Anil; Bogdanov, Bogdan

2015-02-14

Small cationic and anionic clusters of lithium formate were generated by electrospray ionization and their fragmentations were studied by tandem mass spectrometry. Singly as well as multiply charged clusters were formed with the general formulae, (HCOOLi)nLi+, (HCOOLi)nLimm+, (HCOOLi)nHCOO- and (HCOOLi)n(HCOO)mm-. Several magic number cluster ions were observed in both the positive and negative ion modes although more predominant in the positive ion mode with (HCOOLi)3Li+ being the most abundant and stable cluster ions. Fragmentations of singly charged clusters proceed first by the loss of a dimer unit ((HCOOLi)2) followed by sequential loss of monomer units (HCOOLi). In the case ofmore » positive cluster ions, all fragmentations lead to the magic cluster (HCOOLi)3Li+ at higher collision energies which later fragments to dimer and monomer ions in lower abundance. Quantum mechanical calculations performed for smaller cluster ions showed that the trimer ion has a closed ring structure similar to the phenalenylium structure with three closed rings connected to the lithium ion. Further additions of monomer units result in similar symmetric structures for hexamer and nonamer cluster ions. Thermochemical calculations show that trimer cluster ion is relatively more stable than neighboring cluster ions, supporting the experimental observation of a magic number cluster with enhanced stability.« less

Anomalous or regular capacitance? The influence of pore size dispersity on double-layer formation

NASA Astrophysics Data System (ADS)

Jäckel, N.; Rodner, M.; Schreiber, A.; Jeongwook, J.; Zeiger, M.; Aslan, M.; Weingarth, D.; Presser, V.

2016-09-01

The energy storage mechanism of electric double-layer capacitors is governed by ion electrosorption at the electrode surface. This process requires high surface area electrodes, typically highly porous carbons. In common organic electrolytes, bare ion sizes are below one nanometer but they are larger when we consider their solvation shell. In contrast, ionic liquid electrolytes are free of solvent molecules, but cation-anion coordination requires special consideration. By matching pore size and ion size, two seemingly conflicting views have emerged: either an increase in specific capacitance with smaller pore size or a constant capacitance contribution of all micro- and mesopores. In our work, we revisit this issue by using a comprehensive set of electrochemical data and a pore size incremental analysis to identify the influence of certain ranges in the pore size distribution to the ion electrosorption capacity. We see a difference in solvation of ions in organic electrolytes depending on the applied voltage and a cation-anion interaction of ionic liquids in nanometer sized pores.

Sputtering of sodium and potassium from nepheline: Secondary ion yields and velocity spectra

NASA Astrophysics Data System (ADS)

Martinez, R.; Langlinay, Th.; Ponciano, C. R.; da Silveira, E. F.; Palumbo, M. E.; Strazzulla, G.; Brucato, J. R.; Hijazi, H.; Agnihotri, A. N.; Boduch, P.; Cassimi, A.; Domaracka, A.; Ropars, F.; Rothard, H.

2017-09-01

Silicates are the dominant surface material of many Solar System objects, which are exposed to ion bombardment by solar wind ions and cosmic rays. Induced physico-chemical processes include sputtering which can contribute to the formation of an exosphere. We have measured sputtering yields and velocity spectra of secondary ions ejected from nepheline, an aluminosilicate thought to be a good analogue for Mercury's surface, as a laboratory approach to understand the evolution of silicate surfaces and the presence of Na and K vapor in the exosphere. Experiments were performed with highly charged ion beams (keV/u-MeV/u) delivered by GANIL using an imaging XY-TOF-SIMS device under UHV conditions. The fluence dependence of sputtering yields gives information about the evolution of surface stoichiometry during irradiation. From the energy distributions N(E) of sputtered particles, the fraction of particles which could escape from the gravitational field of Mercury, and of those falling back and possibly contributing to populate the exosphere can be roughly estimated.

Local structure and defects in ion irradiated KTaO3

NASA Astrophysics Data System (ADS)

Zhang, F. X.; Xi, J.; Zhang, Y.; Tong, Yang; Xue, H.; Huang, R.; Trautmann, C.; Weber, W. J.

2018-04-01

The modification of the local structure in cubic perovskite KTaO3 irradiated with 3 MeV and 1.1 GeV Au ions is studied by Raman and x-ray absorption spectroscopy, complemented by density functional theory (DFT) calculations. In the case of irradiation with 3 MeV Au ions where displacement cascade processes are dominant, the Ta L3-edge x-ray absorption measurements suggest that a peak corresponding to the Ta-O bonds in the TaO6 octahedra splits, which is attributed to the formation of TaK antisite defects that are coupled with oxygen vacancies, V O. This finding is consistent with the DFT calculations. Under irradiation with 1.1 GeV ions, the intense ionization and electronic energy deposition lead to a blue shift and an intensity reduction of active Raman bands. In the case of sequential irradiations, extended x-ray absorption fine structure measurements reveal a decrease in concentration of coupled TaK-V O defects under subsequent irradiation with 1.1 GeV Au ions.

Numerical modeling of field-assisted ion-exchanged channel waveguides by the explicit consideration of space-charge buildup.

PubMed

Mrozek, Piotr

2011-08-01

A numerical model explicitly considering the space-charge density evolved both under the mask and in the region of optical structure formation was used to predict the profiles of Ag concentration during field-assisted Ag(+)-Na(+) ion exchange channel waveguide fabrication. The influence of the unequal values of diffusion constants and mobilities of incoming and outgoing ions, the value of a correlation factor (Haven ratio), and particularly space-charge density induced during the ion exchange, on the resulting profiles of Ag concentration was analyzed and discussed. It was shown that the incorporation into the numerical model of a small quantity of highly mobile ions other than exclusively Ag(+) and Na(+) may considerably affect the range and shape of calculated Ag profiles in the multicomponent glass. The Poisson equation was used to predict the electric field spread evolution in the glass substrate. The results of the numerical analysis were verified by the experimental data of Ag concentration in a channel waveguide fabricated using a field-assisted process.

Real-Time Observation of Iodide Ion Migration in Methylammonium Lead Halide Perovskites.

PubMed

Li, Cheng; Guerrero, Antonio; Zhong, Yu; Gräser, Anna; Luna, Carlos Andres Melo; Köhler, Jürgen; Bisquert, Juan; Hildner, Richard; Huettner, Sven

2017-11-01

Organic-inorganic metal halide perovskites (e.g., CH 3 NH 3 PbI 3- x Cl x ) emerge as a promising optoelectronic material. However, the Shockley-Queisser limit for the power conversion efficiency (PCE) of perovskite-based photovoltaic devices is still not reached. Nonradiative recombination pathways may play a significant role and appear as photoluminescence (PL) inactive (or dark) areas on perovskite films. Although these observations are related to the presence of ions/defects, the underlying fundamental physics and detailed microscopic processes, concerning trap/defect status, ion migration, etc., still remain poorly understood. Here correlated wide-field PL microscopy and impedance spectroscopy are utilized on perovskite films to in situ investigate both the spatial and the temporal evolution of these PL inactive areas under external electric fields. The formation of PL inactive domains is attributed to the migration and accumulation of iodide ions under external fields. Hence, we are able to characterize the kinetic processes and determine the drift velocities of these ions. In addition, it is shown that I 2 vapor directly affects the PL quenching of a perovskite film, which provides evidence that the migration/segregation of iodide ions plays an important role in the PL quenching and consequently limits the PCE of organometal halide-based perovskite photovoltaic devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The role of Frenkel defect diffusion in dynamic annealing in ion-irradiated Si

DOE PAGES

Wallace, J. B.; Aji, L. B. Bayu; Martin, A. A.; ...

2017-01-06

The formation of stable radiation damage in crystalline solids often proceeds via complex dynamic annealing processes, involving migration and interaction of ballistically-generated point defects. The dominant dynamic annealing processes, however, remain unknown even for crystalline Si. Here, we use a pulsed ion beam method to study defect dynamics in Si bombarded in the temperature range from -20 to 140 °C with 500 keV Ar ions. Results reveal a defect relaxation time constant of ~10–0.2 ms, which decreases monotonically with increasing temperature. The dynamic annealing rate shows an Arrhenius dependence with two well-defined activation energies of 73 ± 5 meV andmore » 420 ± 10 meV, below and above 60 °C, respectively. Rate theory modeling, bench-marked against this data, suggests a crucial role of both vacancy and interstitial diffusion, with the dynamic annealing rate limited by the migration and interaction of vacancies.« less

The role of Frenkel defect diffusion in dynamic annealing in ion-irradiated Si

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

Wallace, J. B.; Aji, L. B. Bayu; Martin, A. A.

The formation of stable radiation damage in crystalline solids often proceeds via complex dynamic annealing processes, involving migration and interaction of ballistically-generated point defects. The dominant dynamic annealing processes, however, remain unknown even for crystalline Si. Here, we use a pulsed ion beam method to study defect dynamics in Si bombarded in the temperature range from -20 to 140 °C with 500 keV Ar ions. Results reveal a defect relaxation time constant of ~10–0.2 ms, which decreases monotonically with increasing temperature. The dynamic annealing rate shows an Arrhenius dependence with two well-defined activation energies of 73 ± 5 meV andmore » 420 ± 10 meV, below and above 60 °C, respectively. Rate theory modeling, bench-marked against this data, suggests a crucial role of both vacancy and interstitial diffusion, with the dynamic annealing rate limited by the migration and interaction of vacancies.« less

Silicon algae with carbon topping as thin-film anodes for lithium-ion microbatteries by a two-step facile method

NASA Astrophysics Data System (ADS)

Biserni, E.; Xie, M.; Brescia, R.; Scarpellini, A.; Hashempour, M.; Movahed, P.; George, S. M.; Bestetti, M.; Li Bassi, A.; Bruno, P.

2015-01-01

Silicon-based electrodes for Li-ion batteries (LIB) attract much attention because of their high theoretical capacity. However, their large volume change during lithiation results in poor cycling due to mechanical cracking. Moreover, silicon can hardly form a stable solid electrolyte interphase (SEI) layer with common electrolytes. We present a safe, innovative strategy to prepare nanostructured silicon-carbon anodes in a two-step process. The nanoporosity of Si films accommodates the volume expansion while a disordered graphitic C layer on top promotes the formation of a stable SEI. This approach shows its promises: carbon-coated porous silicon anodes perform in a very stable way, reaching the areal capacity of ∼175 μAh cm-2, and showing no decay for at least 1000 cycles. With requiring only a two-step deposition process at moderate temperatures, this novel very simple cell concept introduces a promising way to possibly viable up-scaled production of next-generation nanostructured Si anodes for lithium-ion microbatteries.

Chemical state evolution in ferroelectric films during tip-induced polarization and electroresistive switching

DOE PAGES

Ievlev, Anton V.; Maksymovych, Petro; Trassin, Morgan; ...

2016-10-11

Domain formation and ferroelectric switching is fundamentally inseparable from polarization screening, which on free surfaces can be realized via band bending and ionic adsorption. In the latter case, polarization switching is intrinsically coupled to the surface electrochemical phenomena, and the electrochemical stage can control kinetics and induce long-range interactions. However, despite extensive evidence towards the critical role of surface electrochemistry, little is known about the nature of the associated processes. Here we combine SPM tip induce polarization switching and secondary ion mass spectrometry to explore the evolution of chemical state of ferroelectric during switching. Surprisingly, we find that even pristinemore » surfaces contain ions (e.g. Cl -) that are not anticipated based on chemistry of the system and processing. In the ferroelectric switching regime, we find surprising changes in surface chemistry, including redistribution of base cations. Finally, at higher voltages in the electroforming regime significant surface deformation was observed and associated with a strong ion intermixing.« less

The role of Frenkel defect diffusion in dynamic annealing in ion-irradiated Si

NASA Astrophysics Data System (ADS)

Wallace, J. B.; Aji, L. B. Bayu; Martin, A. A.; Shin, S. J.; Shao, L.; Kucheyev, S. O.

2017-01-01

The formation of stable radiation damage in crystalline solids often proceeds via complex dynamic annealing processes, involving migration and interaction of ballistically-generated point defects. The dominant dynamic annealing processes, however, remain unknown even for crystalline Si. Here, we use a pulsed ion beam method to study defect dynamics in Si bombarded in the temperature range from -20 to 140 °C with 500 keV Ar ions. Results reveal a defect relaxation time constant of ~10-0.2 ms, which decreases monotonically with increasing temperature. The dynamic annealing rate shows an Arrhenius dependence with two well-defined activation energies of 73 ± 5 meV and 420 ± 10 meV, below and above 60 °C, respectively. Rate theory modeling, bench-marked against this data, suggests a crucial role of both vacancy and interstitial diffusion, with the dynamic annealing rate limited by the migration and interaction of vacancies.

Control of Chemical Effects in the Separation Process of a Differential Mobility / Mass Spectrometer System

PubMed Central

Schneider, Bradley B.; Coy, Stephen L.; Krylov, Evgeny V.; Nazarov, Erkinjon G.

2013-01-01

Differential mobility spectrometry (DMS) separates ions on the basis of the difference in their migration rates under high versus low electric fields. Several models describing the physical nature of this field mobility dependence have been proposed but emerging as a dominant effect is the clusterization model sometimes referred to as the dynamic cluster-decluster model. DMS resolution and peak capacity is strongly influenced by the addition of modifiers which results in the formation and dissociation of clusters. This process increases selectivity due to the unique chemical interactions that occur between an ion and neutral gas phase molecules. It is thus imperative to bring the parameters influencing the chemical interactions under control and find ways to exploit them in order to improve the analytical utility of the device. In this paper we describe three important areas that need consideration in order to stabilize and capitalize on the chemical processes that dominate a DMS separation. The first involves means of controlling the dynamic equilibrium of the clustering reactions with high concentrations of specific reagents. The second area involves a means to deal with the unwanted heterogeneous cluster ion populations emitted from the electrospray ionization process that degrade resolution and sensitivity. The third involves fine control of parameters that affect the fundamental collision processes, temperature and pressure. PMID:20065515

Kinetics of the electric double layer formation modelled by the finite difference method

NASA Astrophysics Data System (ADS)

Valent, Ivan

2017-11-01

Dynamics of the elctric double layer formation in 100 mM NaCl solution for sudden potentail steps of 10 and 20 mV was simulated using the Poisson-Nernst-Planck theory and VLUGR2 solver for partial differential equations. The used approach was verified by comparing the obtained steady-state solution with the available exact solution. The simulations allowed for detailed analysis of the relaxation processes of the individual ions and the electric potential. Some computational aspects of the problem were discussed.

Spectroscopic and TDDFT investigation on highly selective fluorogenic chemosensor and construction of molecular logic gates.

PubMed

Basheer, Sabeel M; Kumar, Saravana Loganathan Ashok; Kumar, Moorthy Saravana; Sreekanth, Anandaram

2017-03-01

1,5-Bis(2-fluorene)thiocarbohydrazone (FBTC) was designed and synthesized for selective sensing of fluoride and copper ions. The binding constants of FBTC towards fluoride and copper ions have been calculated using the Benesi-Hildebrand equation, and FBTC has more binding affinity towards copper ion than fluoride ion. The 1 H NMR and 13 C NMR titration studies strongly support the deprotonation was taken from the N-H protons followed by the formation of hydrogen bond via N-H … F. To understand the fluoride ion sensing mechanism, theoretical investigation had been carried out using the density functional theory and time-dependent density functional theory. The theoretical data well reproduced the experimental results. The deprotonation process has a moderate transition barrier (481.55kcal/mol). The calculated ΔE and ΔG values (-253.92 and -192.41kcal/mol respectively) suggest the feasibility of sensing process. The potential energy curves give the optimized structures of FBTC-F complex in the ground state and excited state, which states the proton transition occurs at the excited state. The excited state proton transition mechanism was further confirmed with natural bond orbital analysis. The reversibility of the sensor was monitored by the alternate addition of F - and Cu 2+ ions, which was explained with "Read-Erase-Write-Read" behaviour. The multi-ion detection of sensor used to construct the molecular logic gate, such as AND, OR, NOR and INHIBITION logic gates. Copyright © 2016 Elsevier B.V. All rights reserved.

Effect of Gallium Substitution on Lithium-Ion Conductivity and Phase Evolution in Sputtered Li7-3 xGa xLa3Zr2O12 Thin Films.

PubMed

Rawlence, M; Filippin, A N; Wäckerlin, A; Lin, T-Y; Cuervo-Reyes, E; Remhof, A; Battaglia, C; Rupp, J L M; Buecheler, S

2018-04-25

Replacing the liquid electrolyte in conventional lithium-ion batteries with thin-film solid-state lithium-ion conductors is a promising approach for increasing energy density, lifetime, and safety. In particular, Li 7 La 3 Zr 2 O 12 is appealing due to its high lithium-ion conductivity and wide electrochemical stability window. Further insights into thin-film processing of this material are required for its successful integration into solid-state batteries. In this work, we investigate the phase evolution of Li 7-3 x Ga x La 3 Zr 2 O 12 in thin films with various amounts of Li and Ga for stabilizing the cubic phase. Through this work, we gain valuable insights into the crystallization processes unique to thin films and are able to form dense Li 7-3 x Ga x La 3 Zr 2 O 12 layers stabilized in the cubic phase with high in-plane lithium-ion conductivities of up to 1.6 × 10 -5 S cm -1 at 30 °C. We also note the formation of cubic Li 7 La 3 Zr 2 O 12 at the relatively low temperature of 500 °C.

Investigation on the electron flux to the wall in the VENUS ion source

NASA Astrophysics Data System (ADS)

Thuillier, T.; Angot, J.; Benitez, J. Y.; Hodgkinson, A.; Lyneis, C. M.; Todd, D. S.; Xie, D. Z.

2016-02-01

The long-term operation of high charge state electron cyclotron resonance ion sources fed with high microwave power has caused damage to the plasma chamber wall in several laboratories. Porosity, or a small hole, can be progressively created in the chamber wall which can destroy the plasma chamber over a few year time scale. A burnout of the VENUS plasma chamber is investigated in which the hole formation in relation to the local hot electron power density is studied. First, the results of a simple model assuming that hot electrons are fully magnetized and strictly following magnetic field lines are presented. The model qualitatively reproduces the experimental traces left by the plasma on the wall. However, it is too crude to reproduce the localized electron power density for creating a hole in the chamber wall. Second, the results of a Monte Carlo simulation, following a population of scattering hot electrons, indicate a localized high power deposited to the chamber wall consistent with the hole formation process. Finally, a hypervapotron cooling scheme is proposed to mitigate the hole formation in electron cyclotron resonance plasma chamber wall.

Vanadium Oxide Thin Film Formation on Graphene Oxide by Microexplosive Decomposition of Ammonium Peroxovanadate and Its Application as a Sodium Ion Battery Anode.

PubMed

Mikhaylov, Alexey A; Medvedev, Alexander G; Grishanov, Dmitry A; Sladkevich, Sergey; Gun, Jenny; Prikhodchenko, Petr V; Xu, Zhichuan J; Nagasubramanian, Arun; Srinivasan, Madhavi; Lev, Ovadia

2018-02-27

Formation of vanadium oxide nanofilm-coated graphene oxide (GO) is achieved by thermally induced explosive disintegration of a microcrystalline ammonium peroxovanadate-GO composite. GO sheets isolate the microcrystalline grains and capture and contain the microexplosion products, resulting in the deposition of the nanoscale products on the GO. Thermal treatment of the supported nanofilm yields a sequence of nanocrystalline phases of vanadium oxide (V 3 O 7 , VO 2 ) as a function of temperature. This is the first demonstration of microexplosive disintegration of a crystalline peroxo compound to yield a nanocoating. The large number of recently reported peroxide-rich crystalline materials suggests that the process can be a useful general route for nanofilm formation. The V 3 O 7 @GO composite product was tested as a sodium ion battery anode and showed high charge capacity at high rate charge-discharge cycling (150 mAh g -1 at 3000 mA g -1 vs 300 mAh g -1 at 100 mA g -1 ) due to the nanomorphology of the vanadium oxide.

Natural Catalysts for Molten Cellulose Pyrolysis to Targeted Bio-Oils

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

Dauenhauer, Paul J.

2017-06-02

Catalysis of biomass biopolymer cellulose by alkaline earth metals is a fundamental chemistry relevant to energy processes including combustion, pyrolysis and gasification. In this work, the catalytic decomposition of cellulose by calcium ions was evaluated at high temperature (400-500°C) to elucidate the chemical mechanisms leading to the formation of volatile organic compounds.

Structural, microstructural and electrochemical properties of dispersed-type polymer nanocomposite films

NASA Astrophysics Data System (ADS)

Arya, Anil; Sharma, A. L.

2018-01-01

Free-standing solid polymer nanocomposite (PEO-PVC)  +  LiPF6-TiO2 films have been prepared through a standard solution-cast technique. The improvement in structural, microstructural and electrochemical properties has been observed on the dispersion of nanofiller in polymer salt complex. X-ray diffraction studies clearly reflect the formation of complex formation, as no corresponding salt peak appeared in the diffractograms. The Fourier transform infrared analysis suggested clear and convincing evidence of polymer-ion, ion-ion and polymer-ion-nanofiller interaction. The highest ionic conductivity of the prepared solid polymer electrolyte (SPE) films is ~5  ×  10-5 S cm-1 for 7 wt.% TiO2. The linear sweep voltammetry provides the electrochemical stability window of the prepared SPE films, about ~3.5 V. The ion transference number has been estimated, t ion  =  0.99 through the DC polarization technique. Dielectric spectroscopic studies were performed to understand the ion transport process in polymer electrolytes. All solid polymer electrolytes possess good thermal stability up to 300 °C. Differential scanning calorimetry analysis confirms the decrease of the melting temperature and signal of glass transition temperature with the addition of nanofiller, which indicates the decrease of crystallinity of the polymer matrix. An absolute correlation between diffusion coefficient (D), ion mobility (µ), number density (n), double-layer capacitance (C dl), glass transition temperature, melting temperature (T m), free ion area (%) and conductivity (σ) has been observed. A convincing model to study the role of nanofiller in a polymer salt complex has been proposed, which supports the experimental findings. The prepared polymer electrolyte system with significant ionic conductivity, high ionic transference number, and good thermal and voltage stability could be suggested as a potential candidate as electrolyte cum separator for the fabrication of a rechargeable lithium-ion battery system.

Tripolar vortex formation in dense quantum plasma with ion-temperature-gradients

NASA Astrophysics Data System (ADS)

Qamar, Anisa; Ata-ur-Rahman, Mirza, Arshad M.

2012-05-01

We have derived system of nonlinear equations governing the dynamics of low-frequency electrostatic toroidal ion-temperature-gradient mode for dense quantum magnetoplasma. For some specific profiles of the equilibrium density, temperature, and ion velocity gradients, the nonlinear equations admit a stationary solution in the form of a tripolar vortex. These results are relevant to understand nonlinear structure formation in dense quantum plasmas in the presence of equilibrium ion-temperature and density gradients.

On the photon annealing of silicon-implanted gallium-nitride layers

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

Seleznev, B. I., E-mail: Boris.Seleznev@novsu.ru; Moskalev, G. Ya.; Fedorov, D. G.

2016-06-15

The conditions for the formation of ion-doped layers in gallium nitride upon the incorporation of silicon ions followed by photon annealing in the presence of silicon dioxide and nitride coatings are analyzed. The conditions of the formation of ion-doped layers with a high degree of impurity activation are established. The temperature dependences of the surface concentration and mobility of charge carriers in ion-doped GaN layers annealed at different temperatures are studied.

Dynamics of radiocesium exchange and interstratification in anhydrous clay interlayers: Bridging the atom and single crystal scales

NASA Astrophysics Data System (ADS)

Lammers, L. N.; Pestana, L. R.; Schaettle, K. B.; Head-Gordon, T.

2016-12-01

High structural charge clay minerals govern the transport and retention of radiocesium in soils and clay-rich geologic repositories. Cation exchange capacities in these phases are typically assumed to be limited to fast-exchanging basal and high-affinity edge sites, while ions in anhydrous interlayers, usually K+, are considered non-exchangeable. However, recent high resolution imaging and spectroscopic studies have demonstrated that Cs ions can in fact exchange with interlayer K without the formation of a hydrated intermediate.1,2 These exchange reactions result in sharp exchange fronts wherein K+ ions are completely replaced by Cs+ at the exchange interface, and the rate of exchange varies from layer to layer, resulting in the formation of interstratified structures (i.e., randomly alternating layers of exchanged and pristine interlayers). Currently, this process cannot be explained by any known exchange mechanism, and consequently, no kinetic expressions are available to account for this phenomenon in models of subsurface radiocesium fate and transport. We present a mesoscale model for direct exchange in anhydrous clay interlayers that is based on the kinetics of single ion migration events. Single atom migration kinetics derived from density functional theory (DFT) calculations are used as inputs to kinetic Monte Carlo (kMC) simulations, which capture the collective dynamics of the exchange process over length- and timescales relevant for implementation in reactive transport models. Potential energy surfaces derived from DFT demonstrate that exchange of Cs+ for K+ in anhydrous interlayers lowers the energy barrier to K ion migration by 145 kJ/mol, leading to a positive feedback mechanism that generates atomically sharp exchange fronts. Our work demonstrates the application of "coarse-graining" techniques to develop models for processes with characteristic length- and timescales not accessible by direct atomistic simulation. 1 Okumura T. et al. (2014) Direct observation of cesium at the interlayer region in phlogopite mica. Microscopy 63(1), 65-72. 2 Fuller A. J. et al. (2015) Caesium incorporation and retention in illite interlayers. Appl. Clay Sci. 108, 128-134.

A simple model for remineralization of subsurface lesions in tooth enamel

NASA Astrophysics Data System (ADS)

Christoffersen, J.; Christoffersen, M. R.; Arends, J.

1982-12-01

A model for remineralization of subsurface lesions in tooth enamel is presented. The important assumption on which the model is based is that the rate-controlling process is the crystal surface process by which ions are incorporated in the crystallites; that is, the transport of ions through small holes in the so-called intact surface layer does not influence the rate of mineral uptake at the crystal surface. Further, the density of mineral in the lesion is assumed to increase down the lesion, when the remineralization process is started. It is shown that the dimension of the initial holes in the enamel surface layer must be larger than the dimension of the individual crystallites in order to prevent the formation of arrested lesions. Theoretical expressions for the progress of remineralization are given. The suggested model emphasizes the need for measurements of mineral densities in the lesion, prior to, and during the lesion repair.

Fusion-fission and quasifission in the reactions with heavy ions leading to the formation of Hs

NASA Astrophysics Data System (ADS)

Itkis, I. M.; Itkis, M. G.; Knyazheva, G. N.; Kozulin, E. M.

2012-10-01

Mass and energy distributions of binary reaction products obtained in the reactions 22Ne+249Cf,26Mg+248Cm,36S+238U and 58Fe+208Pb leading to Hs isotopes have been measured. At energies below the Coulomb barrier the bimodal fission of Hs*, formed in the reaction 26Mg+248Cm, is observed. In the reaction 36S+238U the considerable part of the symmetric fragments arises from the quasifission process. At energies above the Coulomb barrier the symmetric fragments originate mainly from fusion-fission process for both reactions with Mg and S ions. In the case of the 58Fe+208Pb reaction the quasifission process dominates at all measured energies. The pre- and post-scission neutron multiplicities as a function of the fragment mass have been obtained for the reactions studied.

Kinetic factors determining conducting filament formation in solid polymer electrolyte based planar devices

NASA Astrophysics Data System (ADS)

Krishnan, Karthik; Aono, Masakazu; Tsuruoka, Tohru

2016-07-01

Resistive switching characteristics and conducting filament formation dynamics in solid polymer electrolyte (SPE) based planar-type atomic switches, with opposing active Ag and inert Pt electrodes, have been investigated by optimizing the device configuration and experimental parameters such as the gap distance between the electrodes, the salt inclusion in the polymer matrix, and the compliance current applied in current-voltage measurements. The high ionic conductivities of SPE enabled us to make scanning electron microscopy observations of the filament formation processes in the sub-micrometer to micrometer ranges. It was found that switching behaviour and filament growth morphology depend strongly on several kinetic factors, such as the redox reaction rate at the electrode-polymer interfaces, ion mobility in the polymer matrix, electric field strength, and the reduction sites for precipitation. Different filament formations, resulting from unidirectional and dendritic growth behaviours, can be controlled by tuning specified parameters, which in turn improves the stability and performance of SPE-based devices.Resistive switching characteristics and conducting filament formation dynamics in solid polymer electrolyte (SPE) based planar-type atomic switches, with opposing active Ag and inert Pt electrodes, have been investigated by optimizing the device configuration and experimental parameters such as the gap distance between the electrodes, the salt inclusion in the polymer matrix, and the compliance current applied in current-voltage measurements. The high ionic conductivities of SPE enabled us to make scanning electron microscopy observations of the filament formation processes in the sub-micrometer to micrometer ranges. It was found that switching behaviour and filament growth morphology depend strongly on several kinetic factors, such as the redox reaction rate at the electrode-polymer interfaces, ion mobility in the polymer matrix, electric field strength, and the reduction sites for precipitation. Different filament formations, resulting from unidirectional and dendritic growth behaviours, can be controlled by tuning specified parameters, which in turn improves the stability and performance of SPE-based devices. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr00569a

Tissue response to peritoneal implants

NASA Technical Reports Server (NTRS)

Picha, G. J.

1980-01-01

Peritoneal implants were fabricated from poly 2-OH, ethyl methacrylate (HEMA), polyetherurethane (polytetramethylene glycol 1000 MW, 1,4 methylene disocynate, and ethyl diamine), and untreated and sputter treated polytetrafluoroethylene (PTFE). The sputter treated PTFE implants were produced by an 8 cm diameter argon ion source. The treated samples consisted of ion beam sputter polished samples, sputter etched samples (to produce a microscopic surface cone texture) and surface pitted samples (produced by ion beam sputtering to result in 50 microns wide by 100 microns deep square pits). These materials were implanted in rats for periods ranging from 30 minutes to 14 days. The results were evaluated with regard to cell type and attachment kinetics onto the different materials. Scanning electron microscopy and histological sections were also evaluated. In general the smooth hydrophobic surfaces attracted less cells than the ion etched PTFE or the HEMA samples. The ion etching was observed to enhance cell attachment, multinucleated giant cell (MNGC) formation, cell to cell contact, and fibrous capsule formation. The cell responsed in the case of ion etched PTFE to an altered surface morphology. However, equally interesting was the similar attachment kinetics of HEMA verses the ion etched PTFE. However, HEMA resulted in a markedly different response with no MNGC's formation, minimal to no capsule formation, and sample coverage by a uniform cell layer.

Development of an energy analyzer as diagnostic of beam-generated plasma in negative ion beam systems

NASA Astrophysics Data System (ADS)

Sartori, E.; Carozzi, G.; Veltri, P.; Spolaore, M.; Cavazzana, R.; Antoni, V.; Serianni, G.

2017-08-01

The measurement of the plasma potential and the energy spectrum of secondary particles in the drift region of a negative ion beam offers an insight into beam-induced plasma formation and beam transport in low pressure gasses. Plasma formation in negative-ion beam systems, and the characteristics of such a plasma are of interest especially for space charge compensation, plasma formation in neutralizers, and the development of improved schemes of beam-induced plasma neutralisers for future fusion devices. All these aspects have direct implications in the ITER Heating Neutral Beam and the operation of the prototypes, SPIDER and MITICA, and also have important role in the conceptual studies for NBI systems of DEMO, while at present experimental data are lacking. In this paper we present the design and development of an ion energy analyzer to measure the beam plasma formation and space charge compensation in negative ion beams. The diagnostic is a retarding field energy analyzer (RFEA), and will measure the transverse energy spectra of plasma molecular ions. The calculations that supported the design are reported, and a method to interpret the measurements in negative ion beam systems is also proposed. Finally, the experimental results of the first test in a magnetron plasma are presented.

Effects of Dopant Ionic Radius on Cerium Reduction in Epitaxial Cerium Oxide Thin Films

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

Yang, Nan; Orgiani, Pasquale; Di Bartolomeo, Elisabetta

The role of trivalent rare-earth dopants in ceria epitaxial films on surface ion exchange reactivity and ion conductivity has been systematically studied. Single-crystal epitaxial films with unique crystal orientation and micro-structure nature have allowed us to rule out the influence of structural defects on both transport and surface ion exchange properties. The films conductivities were larger than those reported in literature for both polycrystalline ceramic pellets and crystalline films. An increase in oxygen vacancies and Ce 3+ concentration while decreasing the dopant ionic radius from La 3+ to Yb 3+ was observed, thus explaining the measured increased activation energy andmore » enhanced surface reactivity. The more significant ability of smaller dopant ionic radius in releasing the stress strength induced by the larger Ce 3+ ionic radius allows promoting the formation of oxygen vacancies and Ce 3+, which are two precious species in determining the efficiency of ion transport and surface ion exchange processes. This can open new perspectives in designing ceria-based materials in tailoring functional properties, either ion migration or surface reactivity, by rational cation substitutions.« less

Deep-down ionization of protoplanetary discs

NASA Astrophysics Data System (ADS)

Glassgold, A. E.; Lizano, S.; Galli, D.

2017-12-01

The possible occurrence of dead zones in protoplanetary discs subject to the magneto-rotational instability highlights the importance of disc ionization. We present a closed-form theory for the deep-down ionization by X-rays at depths below the disc surface dominated by far-ultraviolet radiation. Simple analytic solutions are given for the major ion classes, electrons, atomic ions, molecular ions and negatively charged grains. In addition to the formation of molecular ions by X-ray ionization of H2 and their destruction by dissociative recombination, several key processes that operate in this region are included, e.g. charge exchange of molecular ions and neutral atoms and destruction of ions by grains. Over much of the inner disc, the vertical decrease in ionization with depth into the disc is described by simple power laws, which can easily be included in more detailed modelling of magnetized discs. The new ionization theory is used to illustrate the non-ideal magnetohydrodynamic effects of Ohmic, Hall and Ambipolar diffusion for a magnetic model of a T Tauri star disc using the appropriate Elsasser numbers.

Pickup ion processes associated with spacecraft thrusters: Implications for solar probe plus

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

Clemens, Adam, E-mail: a.j.clemens@qmul.ac.uk; Burgess, David

2016-03-15

Chemical thrusters are widely used in spacecraft for attitude control and orbital manoeuvres. They create an exhaust plume of neutral gas which produces ions via photoionization and charge exchange. Measurements of local plasma properties will be affected by perturbations caused by the coupling between the newborn ions and the plasma. A model of neutral expansion has been used in conjunction with a fully three-dimensional hybrid code to study the evolution and ionization over time of the neutral cloud produced by the firing of a mono-propellant hydrazine thruster as well as the interactions of the resulting ion cloud with the ambientmore » solar wind. Results are presented which show that the plasma in the region near to the spacecraft will be perturbed for an extended period of time with the formation of an interaction region around the spacecraft, a moderate amplitude density bow wave bounding the interaction region and evidence of an instability at the forefront of the interaction region which causes clumps of ions to be ejected from the main ion cloud quasi-periodically.« less

Advanced techniques for characterization of ion beam modified materials

DOE PAGES

Zhang, Yanwen; Debelle, Aurélien; Boulle, Alexandre; ...

2014-10-30

Understanding the mechanisms of damage formation in materials irradiated with energetic ions is essential for the field of ion-beam materials modification and engineering. Utilizing incident ions, electrons, photons, and positrons, various analysis techniques, including Rutherford backscattering spectrometry (RBS), electron RBS, Raman spectroscopy, high-resolution X-ray diffraction, small-angle X-ray scattering, and positron annihilation spectroscopy, are routinely used or gaining increasing attention in characterizing ion beam modified materials. The distinctive information, recent developments, and some perspectives in these techniques are reviewed in this paper. Applications of these techniques are discussed to demonstrate their unique ability for studying ion-solid interactions and the corresponding radiationmore » effects in modified depths ranging from a few nm to a few tens of μm, and to provide information on electronic and atomic structure of the materials, defect configuration and concentration, as well as phase stability, amorphization and recrystallization processes. Finally, such knowledge contributes to our fundamental understanding over a wide range of extreme conditions essential for enhancing material performance and also for design and synthesis of new materials to address a broad variety of future energy applications.« less

Effects of Dopant Ionic Radius on Cerium Reduction in Epitaxial Cerium Oxide Thin Films

DOE PAGES

Yang, Nan; Orgiani, Pasquale; Di Bartolomeo, Elisabetta; ...

2017-04-17

The role of trivalent rare-earth dopants in ceria epitaxial films on surface ion exchange reactivity and ion conductivity has been systematically studied. Single-crystal epitaxial films with unique crystal orientation and micro-structure nature have allowed us to rule out the influence of structural defects on both transport and surface ion exchange properties. The films conductivities were larger than those reported in literature for both polycrystalline ceramic pellets and crystalline films. An increase in oxygen vacancies and Ce 3+ concentration while decreasing the dopant ionic radius from La 3+ to Yb 3+ was observed, thus explaining the measured increased activation energy andmore » enhanced surface reactivity. The more significant ability of smaller dopant ionic radius in releasing the stress strength induced by the larger Ce 3+ ionic radius allows promoting the formation of oxygen vacancies and Ce 3+, which are two precious species in determining the efficiency of ion transport and surface ion exchange processes. This can open new perspectives in designing ceria-based materials in tailoring functional properties, either ion migration or surface reactivity, by rational cation substitutions.« less

Energy conservation by oxidation of formate to carbon dioxide and hydrogen via a sodium ion current in a hyperthermophilic archaeon

PubMed Central

Lim, Jae Kyu; Mayer, Florian; Kang, Sung Gyun; Müller, Volker

2014-01-01

Thermococcus onnurineus NA1 is known to grow by the anaerobic oxidation of formate to CO2 and H2, a reaction that operates near thermodynamic equilibrium. Here we demonstrate that this reaction is coupled to ATP synthesis by a transmembrane ion current. Formate oxidation leads to H+ translocation across the cytoplasmic membrane that then drives Na+ translocation. The ion-translocating electron transfer system is rather simple, consisting of only a formate dehydrogenase module, a membrane-bound hydrogenase module, and a multisubunit Na+/H+ antiporter module. The electrochemical Na+ gradient established then drives ATP synthesis. These data give a mechanistic explanation for chemiosmotic energy conservation coupled to formate oxidation to CO2 and H2. Because it is discussed that the membrane-bound hydrogenase with the Na+/H+ antiporter module are ancestors of complex I of mitochondrial and bacterial electron transport these data also shed light on the evolution of ion transport in complex I-like electron transport chains. PMID:25049407

Energy conservation by oxidation of formate to carbon dioxide and hydrogen via a sodium ion current in a hyperthermophilic archaeon.

PubMed

Lim, Jae Kyu; Mayer, Florian; Kang, Sung Gyun; Müller, Volker

2014-08-05

Thermococcus onnurineus NA1 is known to grow by the anaerobic oxidation of formate to CO2 and H2, a reaction that operates near thermodynamic equilibrium. Here we demonstrate that this reaction is coupled to ATP synthesis by a transmembrane ion current. Formate oxidation leads to H(+) translocation across the cytoplasmic membrane that then drives Na(+) translocation. The ion-translocating electron transfer system is rather simple, consisting of only a formate dehydrogenase module, a membrane-bound hydrogenase module, and a multisubunit Na(+)/H(+) antiporter module. The electrochemical Na(+) gradient established then drives ATP synthesis. These data give a mechanistic explanation for chemiosmotic energy conservation coupled to formate oxidation to CO2 and H2. Because it is discussed that the membrane-bound hydrogenase with the Na(+)/H(+) antiporter module are ancestors of complex I of mitochondrial and bacterial electron transport these data also shed light on the evolution of ion transport in complex I-like electron transport chains.

Aspects of the homeostaic plasticity of GABAA receptor-mediated inhibition

PubMed Central

Mody, Istvan

2005-01-01

Plasticity of ligand-gated ion channels plays a critical role in nervous system development, circuit formation and refinement, and pathological processes. Recent advances have mainly focused on the plasticity of channels gated by excitatory amino acids, including their acclaimed role in learning and memory. These receptors, together with voltage-gated ion channels, have also been known to be subjected to a homeostatic form of plasticity that prevents destabilization of the neurone's function and that of the network during various physiological processes. To date, the plasticity of GABAA receptors has been examined mainly from a developmental and a pathological point of view. Little is known about homeostatic mechanisms governing their plasticity. This review summarizes some of the findings on the homeostatic plasticity of tonic and phasic inhibitory activity. PMID:15528237

Facile method for the synthesis of gold nanoparticles using an ion coater

NASA Astrophysics Data System (ADS)

Lee, Seung Han; Jung, Hyun Kyu; Kim, Tae Cheol; Kim, Chang Hee; Shin, Chang Hwan; Yoon, Tae-Sik; Hong, A.-Ra; Jang, Ho Seong; Kim, Dong Hun

2018-03-01

Herein we report a metal nanoparticle synthesis method based on a physical vapor deposition process instead of the conventional wet process of chemical reactions in liquids. A narrow size distribution of synthesized gold nanoparticles was obtained using an ion coater on glycerin at low vapor pressure. The nanoparticle size could be modulated by controlling the sputtering conditions especially the discharge current. Due to the formation of gold nanoparticles, a surface plasmon resonance peak appeared at ∼530 nm in the absorption spectrum. The surface plasmon resonance peak exhibited red-shift with increasing size of the gold nanoparticles. Our results provide a simple, environmental friendly method for the synthesis of metal nanoparticles by combine low-cost deposition apparatus and a liquid medium, which is free from toxic reagents.

Re-forming supercritical quasi-parallel shocks. II - Mechanism for wave generation and front re-formation

NASA Technical Reports Server (NTRS)

Winske, D.; Thomas, V. A.; Omidi, N.; Quest, K. B.

1990-01-01

This paper continues the study of Thomas et al. (1990) in which hybrid simulations of quasi-parallel shocks were performed in one and two spatial dimensions. To identify the wave generation processes, the electromagnetic structure of the shock is examined by performing a number of one-dimensional hybrid simulations of quasi-parallel shocks for various upstream conditions. In addition, numerical experiments were carried out in which the backstreaming ions were removed from calculations to show their fundamental importance in reformation process. The calculations show that the waves are excited before ions can propagate far enough upstream to generate resonant modes. At some later times, the waves are regenerated at the leading edge of the interface, with properties like those of their initial interactions.

Radiolysis of astrophysical ices by heavy ion irradiation: Destruction cross section measurement

NASA Astrophysics Data System (ADS)

de Barros, A. L. F.; Boduch, P.; Domaracka, A.; Rothard, H.; da Silveira, E. F.

2012-08-01

Many solar system objects, such as planets and their satellites, dust grains in rings, and comets, are known to either be made of ices or to have icy surfaces. These ices are exposed to ionizing radiation including keV, MeV and GeV ions from solar wind or cosmic rays. Moreover, icy dust grains are present in interstellar space and, in particular, in dense molecular clouds. Radiation effects include radiolysis (the destruction of molecules leading to formation of radicals), the formation of new molecules following radiolysis, the desorption or sputtering of atoms or molecules from the surface, compaction of porous ices, and phase changes. This review discusses the application of infrared spectroscopy FTIR to study the evolution of the chemical composition of ices containing the most abundant molecular species found in the solar system and interstellar medium, such as H2O, CO, CO2 and hydrocarbons. We focus on the evolution of chemical composition with ion fluence in order to deduce the corresponding destruction and formation cross sections. Although initial approach focused on product identification, it became increasingly necessary to work toward a comprehensive understanding of ice chemistry. The abundances of these molecules in different phases of ice mantles provide important clues to the chemical processes in dense interstellar clouds, and therefore it is of importance to accurately measure the quantities such as dissociation and formation cross sections of the infrared features of these molecules. We also are able to obtain the scaling of these cross sections with deposited energy.

Early stages of carbonate mineralization revealed from molecular simulations: Implications for biomineral formation

NASA Astrophysics Data System (ADS)

Wallace, A. F.; DeYoreo, J.; Banfield, J. F.

2011-12-01

The carbonate mineral constituents of many biomineralized products, formed both in and ex vivo, grow by a multi-stage crystallization process that involves the nucleation and structural reorganization of transient amorphous phases. The existence of transient phases and cluster species has significant implications for carbonate nucleation and growth in natural and engineered environments, both modern and ancient. The structure of these intermediate phases remains elusive, as does the nature of the disorder to order transition, however, these process details may strongly influence the interpretation of elemental and isotopic climate proxy data obtained from authigenic and biogenic carbonates. While molecular simulations have been applied to certain aspects of crystal growth, studies of metal carbonate nucleation are strongly inhibited by the presence of kinetic traps that prevent adequate sampling of the potential landscape upon which the growing clusters reside within timescales accessible by simulation. This research addresses this challenge by marrying the recent Kawska-Zahn (KZ) approach to simulation of crystal nucleation and growth from solution with replica-exchange molecular dynamics (REMD) techniques. REMD has been used previously to enhance sampling of protein conformations that occupy energy wells that are separated by sizable thermodynamic and kinetic barriers, and is used here to probe the initial formation and onset of order within hydrated calcium and iron carbonate cluster species during nucleation. Results to date suggest that growing clusters initiate as short linear ion chains that evolve into two- and three-dimensional structures with continued growth. The planar structures exhibit an obvious 2d lattice, while establishment of a 3d lattice is hindered by incomplete ion desolvation. The formation of a dehydrated core consisting of a single carbonate ion is observed when the clusters are ~0.75 nm. At the same size a distorted, but discernible calcite-type lattice is also apparent. Continued growth results in expansion of the dehydrated core, however, complete desolvation and incorporation of cations into the growing carbonate phase is not achieved until the cluster grows to ~1.2 nm. Exploration of the system free energy along the crystallization path reveals "special" cluster sizes that correlate with ion desolvation milestones. The formation of these species comprise critical bottlenecks on the energy landscape and for the establishment of order within the growing clusters.

Organization and dynamics of pyrene and pyrene lipids in intact lipid bilayers. Photo-induced charge transfer processes.

PubMed Central

Barenholz, Y; Cohen, T; Korenstein, R; Ottolenghi, M

1991-01-01

The dynamics of fluorescence quenching and the organization of a series of pyrene derivatives anchored in various depths in bilayers of phosphatidylcholine small unilamellar vesicles was studied and compared with their behavior in homogeneous solvent systems. The studies include characterization of the environmental polarity of the pyrene fluorophore based on its vibronic peaks, as well as the interaction with three collisional quenchers: the two membrane-soluble quenchers, diethylaniline and bromobenzene, and the water soluble quencher potassium iodide. The system of diethylaniline-pyrene derivatives in the membrane of phosphatidylcholine vesicles was characterized in detail. The diethylaniline partition coefficient between the lipid bilayers and the buffer is approximately 5,800. Up to a diethylaniline/phospholipid mole ratio of 1:3 the perturbation to membrane structure is minimal so that all photophysical studies were performed below this mole ratio. The quenching reaction, in all cases, was shown to take place in the lipid bilayer interior and the relative quenching efficiencies of the various probe molecules was used to provide information on the distribution of both fluorescent probes and quencher molecules in the lipid bilayer. The quenching efficiency by diethylaniline in the lipid bilayer was found to be essentially independent on the length of the methylene chain of the pyrene moiety. These findings suggest that the quenching process, being a diffusion controlled reaction, is determined by the mobility of the diethylaniline quencher (with an effective diffusion coefficient D approximately 10(-7) cm2 s-1) which appears to be homogeneously distributed throughout the lipid bilayer. The pulsed laser photolysis products of the charge-transfer quenching reaction were examined. No exciplex (excited-complex) formation was observed and the yield of the separated radical ions was shown to be tenfold smaller than in homogenous polar solutions. The decay of the radical ions is considerably faster than the corresponding process in homogenous solutions. Relatively high intersystem crossing yields are observed. The results are explained on the basis of the intrinsic properties of a lipid bilayer, primarily, its rigid spatial organization. It is suggested that such properties favor ion-pair formation over exciplex generation. They also enhance primary geminate recombination of initially formed (solvent-shared) ion pairs. Triplet states are generated via secondary geminate recombination of ion pairs in the membrane interior. The results bear on the general mechanism of electron transfer processes in biomembranes. PMID:1883931

The state of understanding of the lithium-ion-battery graphite solid electrolyte interphase (SEI) and its relationship to formation cycling

DOE PAGES

An, Seong Jin; Li, Jianlin; Daniel, Claus; ...

2016-04-09

An in-depth review is presented on the science of lithium-ion battery (LIB) solid electrolyte interphase (SEI) formation on the graphite anode, including structure, morphology, chemical composition, electrochemistry, formation mechanism, and LIB formation cycling. During initial operation of LIBs, the SEI layer forms on the graphite surfaces, the most commonly used anode material, due to side reactions with the electrolyte solvent/salt at low electro-reduction potentials. It is accepted that the SEI layer is essential to the long-term performance of LIBs, and it also has an impact on its initial capacity loss, self-discharge characteristics, cycle life, rate capability, and safety. While themore » presence of the anode SEI layer is vital, it is difficult to control its formation and growth, as the chemical composition, morphology, and stability depend on several factors. These factors include the type of graphite, electrolyte composition, electrochemical conditions, and cell temperature. Thus, SEI layer formation and electrochemical stability over long-term operation should be a primary topic of future investigation in the development of LIB technology. We review the progression of knowledge gained about the anode SEI, from its discovery in 1979 to the current state of understanding, and covers its formation process, differences in the chemical and structural makeup when cell materials and components are varied, methods of characterization, and associated reactions with the liquid electrolyte phase. It also discusses the relationship of the SEI layer to the LIB formation step, which involves both electrolyte wetting and subsequent slow charge-discharge cycles to grow the SEI.« less