Cold ion demagnetization near the X-line of magnetic reconnection

NASA Astrophysics Data System (ADS)

Toledo-Redondo, Sergio; André, Mats; Khotyaintsev, Yuri V.; Vaivads, Andris; Walsh, Andrew; Li, Wenya; Graham, Daniel B.; Lavraud, Benoit; Masson, Arnaud; Aunai, Nicolas; Divin, Andrey; Dargent, Jeremy; Fuselier, Stephen; Gershman, Daniel J.; Dorelli, John; Giles, Barbara; Avanov, Levon; Pollock, Craig; Saito, Yoshifumi; Moore, Thomas E.; Coffey, Victoria; Chandler, Michael O.; Lindqvist, Per-Arne; Torbert, Roy; Russell, Christopher T.

2016-07-01

Although the effects of magnetic reconnection in magnetospheres can be observed at planetary scales, reconnection is initiated at electron scales in a plasma. Surrounding the electron diffusion region, there is an Ion-Decoupling Region (IDR) of the size of the ion length scales (inertial length and gyroradius). Reconnection at the Earth's magnetopause often includes cold magnetospheric (few tens of eV), hot magnetospheric (10 keV), and magnetosheath (1 keV) ions, with different gyroradius length scales. We report observations of a subregion inside the IDR of the size of the cold ion population gyroradius (˜15 km) where the cold ions are demagnetized and accelerated parallel to the Hall electric field. Outside the subregion, cold ions follow the E × B motion together with electrons, while hot ions are demagnetized. We observe a sharp cold ion density gradient separating the two regions, which we identify as the cold and hot IDRs.

Over 95% of large-scale length uniformity in template-assisted electrodeposited nanowires by subzero-temperature electrodeposition.

PubMed

Shin, Sangwoo; Kong, Bo Hyun; Kim, Beom Seok; Kim, Kyung Min; Cho, Hyung Koun; Cho, Hyung Hee

2011-07-23

In this work, we report highly uniform growth of template-assisted electrodeposited copper nanowires on a large area by lowering the deposition temperature down to subzero centigrade. Even with highly disordered commercial porous anodic aluminum oxide template and conventional potentiostatic electrodeposition, length uniformity over 95% can be achieved when the deposition temperature is lowered down to -2.4°C. Decreased diffusion coefficient and ion concentration gradient due to the lowered deposition temperature effectively reduces ion diffusion rate, thereby favors uniform nanowire growth. Moreover, by varying the deposition temperature, we show that also the pore nucleation and the crystallinity can be controlled.

Permeation of protons, potassium ions, and small polar molecules through phospholipid bilayers as a function of membrane thickness.

PubMed Central

Paula, S; Volkov, A G; Van Hoek, A N; Haines, T H; Deamer, D W

1996-01-01

Two mechanisms have been proposed to account for solute permeation of lipid bilayers. Partitioning into the hydrophobic phase of the bilayer, followed by diffusion, is accepted by many for the permeation of water and other small neutral solutes, but transient pores have also been proposed to account for both water and ionic solute permeation. These two mechanisms make distinctively different predictions about the permeability coefficient as a function of bilayer thickness. Whereas the solubility-diffusion mechanism predicts only a modest variation related to bilayer thickness, the pore model predicts an exponential relationship. To test these models, we measured the permeability of phospholipid bilayers to protons, potassium ions, water, urea, and glycerol. Bilayers were prepared as liposomes, and thickness was varied systematically by using unsaturated lipids with chain lengths ranging from 14 to 24 carbon atoms. The permeability coefficient of water and neutral polar solutes displayed a modest dependence on bilayer thickness, with an approximately linear fivefold decrease as the carbon number varied from 14 to 24 atoms. In contrast, the permeability to protons and potassium ions decreased sharply by two orders of magnitude between 14 and 18 carbon atoms, and leveled off, when the chain length was further extended to 24 carbon atoms. The results for water and the neutral permeating solutes are best explained by the solubility-diffusion mechanism. The results for protons and potassium ions in shorter-chain lipids are consistent with the transient pore model, but better fit the theoretical line predicted by the solubility-diffusion model at longer chain lengths. PMID:8770210

Permeation of protons, potassium ions, and small polar molecules through phospholipid bilayers as a function of membrane thickness

NASA Technical Reports Server (NTRS)

Paula, S.; Volkov, A. G.; Van Hoek, A. N.; Haines, T. H.; Deamer, D. W.

1996-01-01

Two mechanisms have been proposed to account for solute permeation of lipid bilayers. Partitioning into the hydrophobic phase of the bilayer, followed by diffusion, is accepted by many for the permeation of water and other small neutral solutes, but transient pores have also been proposed to account for both water and ionic solute permeation. These two mechanisms make distinctively different predictions about the permeability coefficient as a function of bilayer thickness. Whereas the solubility-diffusion mechanism predicts only a modest variation related to bilayer thickness, the pore model predicts an exponential relationship. To test these models, we measured the permeability of phospholipid bilayers to protons, potassium ions, water, urea, and glycerol. Bilayers were prepared as liposomes, and thickness was varied systematically by using unsaturated lipids with chain lengths ranging from 14 to 24 carbon atoms. The permeability coefficient of water and neutral polar solutes displayed a modest dependence on bilayer thickness, with an approximately linear fivefold decrease as the carbon number varied from 14 to 24 atoms. In contrast, the permeability to protons and potassium ions decreased sharply by two orders of magnitude between 14 and 18 carbon atoms, and leveled off, when the chain length was further extended to 24 carbon atoms. The results for water and the neutral permeating solutes are best explained by the solubility-diffusion mechanism. The results for protons and potassium ions in shorter-chain lipids are consistent with the transient pore model, but better fit the theoretical line predicted by the solubility-diffusion model at longer chain lengths.

The diffusion and conduction of lithium in poly(ethylene oxide)-based sulfonate ionomers

NASA Astrophysics Data System (ADS)

LaFemina, Nikki H.; Chen, Quan; Colby, Ralph H.; Mueller, Karl T.

2016-09-01

Pulsed field gradient nuclear magnetic resonance spectroscopy and dielectric relaxation spectroscopy have been utilized to investigate lithium dynamics within poly(ethylene oxide) (PEO)-based lithium sulfonate ionomers of varying ion content. The ion content is set by the fraction of sulfonated phthalates and the molecular weight of the PEO spacer, both of which can be varied independently. The molecular level dynamics of the ionomers are dominated by either Vogel-Fulcher-Tammann or Arrhenius behavior depending on ion content, spacer length, temperature, and degree of ionic aggregation. In these ionomers the main determinants of the self-diffusion of lithium and the observed conductivities are the ion content and ionic states of the lithium ion, which are profoundly affected by the interactions of the lithium ions with the ether oxygens of the polymer. Since many lithium ions move by segmental polymer motion in the ion pair state, their diffusion is significantly larger than that estimated from conductivity using the Nernst-Einstein equation.

Interstitial and Interlayer Ion Diffusion Geometry Extraction in Graphitic Nanosphere Battery Materials.

PubMed

Gyulassy, Attila; Knoll, Aaron; Lau, Kah Chun; Wang, Bei; Bremer, Peer-Timo; Papka, Michael E; Curtiss, Larry A; Pascucci, Valerio

2016-01-01

Large-scale molecular dynamics (MD) simulations are commonly used for simulating the synthesis and ion diffusion of battery materials. A good battery anode material is determined by its capacity to store ion or other diffusers. However, modeling of ion diffusion dynamics and transport properties at large length and long time scales would be impossible with current MD codes. To analyze the fundamental properties of these materials, therefore, we turn to geometric and topological analysis of their structure. In this paper, we apply a novel technique inspired by discrete Morse theory to the Delaunay triangulation of the simulated geometry of a thermally annealed carbon nanosphere. We utilize our computed structures to drive further geometric analysis to extract the interstitial diffusion structure as a single mesh. Our results provide a new approach to analyze the geometry of the simulated carbon nanosphere, and new insights into the role of carbon defect size and distribution in determining the charge capacity and charge dynamics of these carbon based battery materials.

Interstitial and Interlayer Ion Diffusion Geometry Extraction in Graphitic Nanosphere Battery Materials

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

Gyulassy, Attila; Knoll, Aaron; Lau, Kah Chun

2016-01-01

Large-scale molecular dynamics (MD) simulations are commonly used for simulating the synthesis and ion diffusion of battery materials. A good battery anode material is determined by its capacity to store ion or other diffusers. However, modeling of ion diffusion dynamics and transport properties at large length and long time scales would be impossible with current MD codes. To analyze the fundamental properties of these materials, therefore, we turn to geometric and topological analysis of their structure. In this paper, we apply a novel technique inspired by discrete Morse theory to the Delaunay triangulation of the simulated geometry of a thermallymore » annealed carbon nanosphere. We utilize our computed structures to drive further geometric analysis to extract the interstitial diffusion structure as a single mesh. Our results provide a new approach to analyze the geometry of the simulated carbon nanosphere, and new insights into the role of carbon defect size and distribution in determining the charge capacity and charge dynamics of these carbon based battery materials.« less

Interstitial and interlayer ion diffusion geometry extraction in graphitic nanosphere battery materials

DOE PAGES

Gyulassy, Attila; Knoll, Aaron; Lau, Kah Chun; ...

2016-01-31

Large-scale molecular dynamics (MD) simulations are commonly used for simulating the synthesis and ion diffusion of battery materials. A good battery anode material is determined by its capacity to store ion or other diffusers. However, modeling of ion diffusion dynamics and transport properties at large length and long time scales would be impossible with current MD codes. To analyze the fundamental properties of these materials, therefore, we turn to geometric and topological analysis of their structure. In this paper, we apply a novel technique inspired by discrete Morse theory to the Delaunay triangulation of the simulated geometry of a thermallymore » annealed carbon nanosphere. We utilize our computed structures to drive further geometric analysis to extract the interstitial diffusion structure as a single mesh. Lastly, our results provide a new approach to analyze the geometry of the simulated carbon nanosphere, and new insights into the role of carbon defect size and distribution in determining the charge capacity and charge dynamics of these carbon based battery materials.« less

Over 95% of large-scale length uniformity in template-assisted electrodeposited nanowires by subzero-temperature electrodeposition

PubMed Central

2011-01-01

In this work, we report highly uniform growth of template-assisted electrodeposited copper nanowires on a large area by lowering the deposition temperature down to subzero centigrade. Even with highly disordered commercial porous anodic aluminum oxide template and conventional potentiostatic electrodeposition, length uniformity over 95% can be achieved when the deposition temperature is lowered down to -2.4°C. Decreased diffusion coefficient and ion concentration gradient due to the lowered deposition temperature effectively reduces ion diffusion rate, thereby favors uniform nanowire growth. Moreover, by varying the deposition temperature, we show that also the pore nucleation and the crystallinity can be controlled. PMID:21781335

Insights on Li-TFSI diffusion in polyethylene oxide for battery applications

NASA Astrophysics Data System (ADS)

Molinari, Nicola; Mailoa, Jonathan; Kozinsky, Boris; Robert Bosch LLC Collaboration

Improving the energy density, safety and efficiency of lithium-ion (Li-ion) batteries is crucial for the future of energy storage and applications such as electric cars. A key step in the research of next-generation solid polymeric electrolyte materials is understanding the diffusion mechanism of Li-ion in polyethylene oxide (PEO) in order to guide the design of electrolytes materials with high Li-ion diffusion while, ideally, suppress counter-anion movement. In this work we use computer simulations to investigate this long-standing problem at a fundamental level. The system under study has Li-TFSI concentration and PEO chain length that are representative of practical application specifications; the interactions of the molecular model are described via the PCFF+ all-atom force-field. Validation of the model is performed by comparing trends against experiments for diffusivity and conductivity as a function of salt concentration. The analysis of Li-TFSI molecular dynamics trajectories reveals that 1. for high Li-TFSI concentration a significant fraction of Li-ion is coordinated by only TFSI and consistently move less than PEO-coordinated Li-ion, 2. PEO chain motion is key in enabling Li-ion movement. Robert Bosch LLC.

High Performance Pillared Vanadium Oxide Cathode for Lithium Ion Batteries

DTIC Science & Technology

2015-04-24

As a result, two major approaches have been taken to increase electrode- electrolyte interfacial area while minimizing lithium diffusion lengths...Performance Pillared Vanadium Oxide Cathode for Lithium Ion Batteries Siu on Tung, Krista L. Hawthorne, Yi Ding, James Mainero, and Levi T. Thompson...Automotive Research Development and Engineering Center, Warren, MI 48387, USA Keywords: nanostructured materials, lithium ion batteries, cathode

Variables that influence energy partition in asymmetric reconnection

NASA Astrophysics Data System (ADS)

Wang, S.; Chen, L. J.; Bessho, N.; Hesse, M.; Yamada, M.; Yoo, J.

2017-12-01

The energy conversion in the diffusion region during asymmetric reconnection is studied using particle-in-cell (PIC) simulations and measurements from the Magnetospheric Multiscale (MMS) spacecraft. The simulation analysis shows that the energy partition is highly region-dependent and varies with the guide field strength. Without a guide field, within the central electron diffusion region, the input magnetic energy is mostly converted to the electron thermal energies; half of the magnetic energy input to the region extending from the X-line to a few ion inertial lengths downstream where the ion outflow peaks is converted to the plasma energy gain, with approximately equal partition between ions and electrons, similar to the laboratory results from the Magnetic Reconnection Experiment (MRX); over the entire ion diffusion region, about half of the energy goes to ions, and 20% goes to electrons. Electrons obtain energies mainly from the reconnection electric field (Er). For the ion total energy gain in the diffusion region, about 2/3 comes from the in-plane electrostatic field Ein and 1/3 comes from Er. Adding a guide field tends to reduce the plasma energy gain through reducing the contribution from Ein, even though the reconnection rates are similar. The energy partition in the diffusion region observed by MMS is estimated and compared with the results from PIC simulations and MRX experiments.

Computational design of high efficiency release targets for use at ISOL facilities

NASA Astrophysics Data System (ADS)

Liu, Y.; Alton, G. D.; Middleton, J. W.

1999-06-01

This report describes efforts made at the Oak Ridge National Laboratory to design high-efficiency-release targets that simultaneously incorporate the short diffusion lengths, high permeabilities, controllable temperatures, and heat removal properties required for the generation of useful radioactive ion beam (RIB) intensities for nuclear physics and astrophysics research using the isotope separation on-line (ISOL) technique. Short diffusion lengths are achieved either by using thin fibrous target materials or by coating thin layers of selected target material onto low-density carbon fibers such as reticulated vitreous carbon fiber (RVCF) or carbon-bonded-carbon-fiber (CBCF) to form highly permeable composite target matrices. Computational studies which simulate the generation and removal of primary beam deposited heat from target materials have been conducted to optimize the design of target/heat-sink systems for generating RIBs. The results derived from diffusion release-rate simulation studies for selected targets and thermal analyses of temperature distributions within a prototype target/heat-sink system subjected to primary ion beam irradiation will be presented in this report.

High-efficiency-release targets for use at ISOL facilities: computational design

NASA Astrophysics Data System (ADS)

Liu, Y.; Alton, G. D.

1999-12-01

This report describes efforts made at the Oak Ridge National Laboratory to design high-efficiency-release targets that simultaneously incorporate the short diffusion lengths, high permeabilities, controllable temperatures, and heat-removal properties required for the generation of useful radioactive ion beam (RIB) intensities for nuclear physics and astrophysics research using the isotope separation on-line (ISOL) technique. Short diffusion lengths are achieved either by using thin fibrous target materials or by coating thin layers of selected target material onto low-density carbon fibers such as reticulated-vitreous-carbon fiber (RVCF) or carbon-bonded-carbon fiber (CBCF) to form highly permeable composite target matrices. Computational studies that simulate the generation and removal of primary beam deposited heat from target materials have been conducted to optimize the design of target/heat-sink systems for generating RIBs. The results derived from diffusion release-rate simulation studies for selected targets and thermal analyses of temperature distributions within a prototype target/heat-sink system subjected to primary ion beam irradiation are presented in this report.

Transport of oxygen ions in Er doped La2Mo2O9 oxide ion conductors: Correlation with microscopic length scales

NASA Astrophysics Data System (ADS)

Paul, T.; Ghosh, A.

2018-01-01

We report oxygen ion transport in La2-xErxMo2O9 (0.05 ≤ x ≤ 0.25) oxide ion conductors. We have measured conductivity and dielectric spectra at different temperatures in a wide frequency range. The mean square displacement and spatial extent of non-random sub-diffusive regions are estimated from the conductivity spectra and dielectric spectra, respectively, using linear response theory. The composition dependence of the conductivity is observed to be similar to that of the spatial extent of non-random sub-diffusive regions. The behavior of the composition dependence of the mean square displacement of oxygen ions is opposite to that of the conductivity. The attempt frequency estimated from the analysis of the electric modulus agrees well with that obtained from the Raman spectra analysis. The full Rietveld refinement of X-ray diffraction data of the samples is performed to estimate the distance between different oxygen lattice sites. The results obtained from such analysis confirm the ion hopping within the spatial extent of non-random sub-diffusive regions.

Plasma transport in an Eulerian AMR code

DOE PAGES

Vold, E. L.; Rauenzahn, R. M.; Aldrich, C. H.; ...

2017-04-04

A plasma transport model has been implemented in an Eulerian AMR radiation-hydrodynamics code, xRage, which includes plasma viscosity in the momentum tensor, viscous dissipation in the energy equations, and binary species mixing with consistent species mass and energy fluxes driven by concentration gradients, ion and electron baro-diffusion terms and temperature gradient forces. The physics basis, computational issues, numeric options, and results from several test problems are discussed. The transport coefficients are found to be relatively insensitive to the kinetic correction factors when the concentrations are expressed with the molar fractions and the ion mass differences are large. The contributions tomore » flow dynamics from plasma viscosity and mass diffusion were found to increase significantly as scale lengths decrease in an inertial confinement fusion relevant Kelvin-Helmholtz instability mix layer. The mixing scale lengths in the test case are on the order of 100 μm and smaller for viscous effects to appear and 10 μm or less for significant ion species diffusion, evident over durations on the order of nanoseconds. The temperature gradient driven mass flux is seen to deplete a high Z tracer ion at the ion shock front. The plasma transport model provides the generation of the atomic mix per unit of interfacial area between two species with no free parameters. The evolution of the total atomic mix then depends also on an accurate resolution or estimate of the interfacial area between the species mixing by plasma transport. High resolution simulations or a more Lagrangian-like treatment of species interfaces may be required to distinguish plasma transport and numerical diffusion in an Eulerian computation of complex and dynamically evolving mix regions.« less

Plasma transport in an Eulerian AMR code

NASA Astrophysics Data System (ADS)

Vold, E. L.; Rauenzahn, R. M.; Aldrich, C. H.; Molvig, K.; Simakov, A. N.; Haines, B. M.

2017-04-01

A plasma transport model has been implemented in an Eulerian AMR radiation-hydrodynamics code, xRage, which includes plasma viscosity in the momentum tensor, viscous dissipation in the energy equations, and binary species mixing with consistent species mass and energy fluxes driven by concentration gradients, ion and electron baro-diffusion terms and temperature gradient forces. The physics basis, computational issues, numeric options, and results from several test problems are discussed. The transport coefficients are found to be relatively insensitive to the kinetic correction factors when the concentrations are expressed with the molar fractions and the ion mass differences are large. The contributions to flow dynamics from plasma viscosity and mass diffusion were found to increase significantly as scale lengths decrease in an inertial confinement fusion relevant Kelvin-Helmholtz instability mix layer. The mixing scale lengths in the test case are on the order of 100 μm and smaller for viscous effects to appear and 10 μm or less for significant ion species diffusion, evident over durations on the order of nanoseconds. The temperature gradient driven mass flux is seen to deplete a high Z tracer ion at the ion shock front. The plasma transport model provides the generation of the atomic mix per unit of interfacial area between two species with no free parameters. The evolution of the total atomic mix then depends also on an accurate resolution or estimate of the interfacial area between the species mixing by plasma transport. High resolution simulations or a more Lagrangian-like treatment of species interfaces may be required to distinguish plasma transport and numerical diffusion in an Eulerian computation of complex and dynamically evolving mix regions.

Embedding of electrodes within a microchannel interfacing a permselective medium for sensing and active control of the concentration-polarization layer

NASA Astrophysics Data System (ADS)

Yossifon, Gilad; Park, Sinwook

2016-11-01

Previously, it has been shown that for a prescribed system, the diffusion length may be affected by any number of mechanisms including natural and forced convection, electroosmotic flow of the second kind and electro-convective instability. In all of the above mentioned cases the length of the diffusion layer is indirectly prescribed by the complicated competition between several mechanisms which are primarily dictated by the various system parameters and applied voltage. In contrast, we suggest that by embedding electrodes/heaters within a microchannel interfacing a permselective medium, the diffusion layer length may be controlled regardless of the dominating overlimiting current mechanism and system parameters. As well as demonstrating that the simple presence of electrodes can enhance mixing via induced-charge electrokinetic effects, we also offer a means of externally activating embedded electrodes and heaters to maintain external, dynamic control of the diffusion length. Such control is particularly important in applications requiring intense ion transport, such as electrodialysis. At the same time, we will also investigate means of suppressing these mechanisms which is of fundamental importance for sensing applications.

Surface recombination velocity and diffusion length of minority carriers in heavily doped silicon layers

NASA Technical Reports Server (NTRS)

Gatos, H. C.; Watanabe, M.; Actor, G.

1977-01-01

Quantitative analysis of the electron beam-induced current and the dependence of the effective diffusion length of the minority carriers on the penetration depth of the electron beam were employed for the analysis of the carrier recombination characteristics in heavily doped silicon layers. The analysis is based on the concept of the effective excitation strength of the carriers which takes into consideration all possible recombination sources. Two dimensional mapping of the surface recombination velocity of P-diffused Si layers will be presented together with a three dimensional mapping of minority carrier lifetime in ion implanted Si. Layers heavily doped with As exhibit improved recombination characteristics as compared to those of the layers doped with P.

Simulation of the Impact of Si Shell Thickness on the Performance of Si-Coated Vertically Aligned Carbon Nanofiber as Li-Ion Battery Anode

PubMed Central

Das, Susobhan; Li, Jun; Hui, Rongqing

2015-01-01

Micro- and nano-structured electrodes have the potential to improve the performance of Li-ion batteries by increasing the surface area of the electrode and reducing the diffusion distance required by the charged carriers. We report the numerical simulation of Lithium-ion batteries with the anode made of core-shell heterostructures of silicon-coated carbon nanofibers. We show that the energy capacity can be significantly improved by reducing the thickness of the silicon anode to the dimension comparable or less than the Li-ion diffusion length inside silicon. The results of simulation indicate that the contraction of the silicon electrode thickness during the battery discharge process commonly found in experiments also plays a major role in the increase of the energy capacity. PMID:28347120

Surface effects on exciton diffusion in non polar ZnO/ZnMgO heterostructures

NASA Astrophysics Data System (ADS)

Sakr, G.; Sartel, C.; Sallet, V.; Lusson, A.; Patriarche, G.; Galtier, P.; Barjon, J.

2017-12-01

The diffusion of excitons injected in ZnO/Zn0.92Mg0.08O quantum well heterostructures grown by metal-organic-vapor-phase-epitaxy on non-polar ZnO substrates is investigated at room temperature. Cathodoluminescence linescans in a field-emission-gun scanning-electron-microscope are performed across cleaved cross-sections. A 55 nm diffusion length is assessed for excitons in bulk ZnMgO. When prepared as small angle bevels using focused ion beam (FIB), the effective diffusion length of excitons is shown to decrease down to 8 nm in the thinner part of the slab. This effect is attributed to non-radiative surface recombinations, with a 7  ×  104 cm s-1 recombination velocity estimated at the FIB-machined ZnMgO surface. The strong reduction of the diffusion extent in such thin lamellae usually used for transmission electron microscopy could be use improve the spatial resolution of cathodoluminescence images, often limited by diffusion processes.

Pseudocapacitance of TiO2-x /CNT Anodes for High-Performance Quasi-Solid-State Li-Ion and Na-Ion Capacitors.

PubMed

Que, Lan-Fang; Yu, Fu-Da; Wang, Zhen-Bo; Gu, Da-Ming

2018-04-01

It is challenging for flexible solid-state hybrid capacitors to achieve high-energy-high-power densities in both Li-ion and Na-ion systems, and the kinetics discrepancy between the sluggish faradaic anode and the rapid capacitive cathode is the most critical issue needs to be addressed. To improve Li-ion/Na-ion diffusion kinetics, flexible oxygen-deficient TiO 2- x /CNT composite film with ultrafast electron/ion transport network is constructed as self-supported and light-weight anode for a quasi-solid-state hybrid capacitor. It is found that the designed porous yolk-shell structure endows large surface area and provides short diffusion length, the oxygen-deficient composite film can improve electrical conductivity, and enhance ion diffusion kinetic by introducing intercalation pseudocapacitance, therefore resulting in advance electrochemical properties. It exhibits high capacity, excellent rate performance, and long cycle life when utilized as self-supported anodes for Li-ion and Na-ion batteries. When assembled with activated carbon/carbon nanotube (AC/CNT) flexible cathode, using ion conducting gel polymer as the electrolyte, high energy densities of 104 and 109 Wh kg -1 are achieved at 250 W kg -1 in quasi-solid-state Li-ion and Na-ion capacitors (LICs and SICs), respectively. Still, energy densities of 32 and 36 Wh kg -1 can be maintained at high power densities of 5000 W kg -1 in LICs and SICs. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ion beam synthesis of Au nanoparticles embedded nano-composite glass

NASA Astrophysics Data System (ADS)

Varma, Ranjana S.; Kothari, D. C.; Kumar, Ravi; Kumar, P.; Santra, S. S.; Thomas, R. G.

2013-02-01

Ion beam mixing using low energy (LE) ion beams (100 keV Ar+) has been used to form Au nanoparticles in the near-surface region of fused silica glasses. Effect of swift heavy ion (SHI) irradiation (with 120 MeV Ag9+), on the nanoparticles has been studied. Diffusion length of Au after the beam mixing and the irradiation has been found to be 14nm. SHI irradiation causes the increase in the size of the nanoparticles, reduction in size-distribution and increase in number density.

RF synchronized short pulse laser ion source

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

Fuwa, Yasuhiro, E-mail: fuwa@kyticr.kuicr.kyoto-u.ac.jp; Iwashita, Yoshihisa; Tongu, Hiromu

A laser ion source that produces shortly bunched ion beam is proposed. In this ion source, ions are extracted immediately after the generation of laser plasma by an ultra-short pulse laser before its diffusion. The ions can be injected into radio frequency (RF) accelerating bucket of a subsequent accelerator. As a proof-of-principle experiment of the ion source, a RF resonator is prepared and H{sub 2} gas was ionized by a short pulse laser in the RF electric field in the resonator. As a result, bunched ions with 1.2 mA peak current and 5 ns pulse length were observed at themore » exit of RF resonator by a probe.« less

Electrochemical Impedance Imaging via the Distribution of Diffusion Times

NASA Astrophysics Data System (ADS)

Song, Juhyun; Bazant, Martin Z.

2018-03-01

We develop a mathematical framework to analyze electrochemical impedance spectra in terms of a distribution of diffusion times (DDT) for a parallel array of random finite-length Warburg (diffusion) or Gerischer (reaction-diffusion) circuit elements. A robust DDT inversion method is presented based on complex nonlinear least squares regression with Tikhonov regularization and illustrated for three cases of nanostructured electrodes for energy conversion: (i) a carbon nanotube supercapacitor, (ii) a silicon nanowire Li-ion battery, and (iii) a porous-carbon vanadium flow battery. The results demonstrate the feasibility of nondestructive "impedance imaging" to infer microstructural statistics of random, heterogeneous materials.

Electrochemical Ionization and Analyte Charging in the Array of Micromachined UltraSonic Electrospray (AMUSE) Ion Source

PubMed Central

Forbes, Thomas P.; Degertekin, F. Levent; Fedorov, Andrei G.

2010-01-01

Electrochemistry and ion transport in a planar array of mechanically-driven, droplet-based ion sources are investigated using an approximate time scale analysis and in-depth computational simulations. The ion source is modeled as a controlled-current electrolytic cell, in which the piezoelectric transducer electrode, which mechanically drives the charged droplet generation using ultrasonic atomization, also acts as the oxidizing/corroding anode (positive mode). The interplay between advective and diffusive ion transport of electrochemically generated ions is analyzed as a function of the transducer duty cycle and electrode location. A time scale analysis of the relative importance of advective vs. diffusive ion transport provides valuable insight into optimality, from the ionization prospective, of alternative design and operation modes of the ion source operation. A computational model based on the solution of time-averaged, quasi-steady advection-diffusion equations for electroactive species transport is used to substantiate the conclusions of the time scale analysis. The results show that electrochemical ion generation at the piezoelectric transducer electrodes located at the back-side of the ion source reservoir results in poor ionization efficiency due to insufficient time for the charged analyte to diffuse away from the electrode surface to the ejection location, especially at near 100% duty cycle operation. Reducing the duty cycle of droplet/analyte ejection increases the analyte residence time and, in turn, improves ionization efficiency, but at an expense of the reduced device throughput. For applications where this is undesirable, i.e., multiplexed and disposable device configurations, an alternative electrode location is incorporated. By moving the charging electrode to the nozzle surface, the diffusion length scale is greatly reduced, drastically improving ionization efficiency. The ionization efficiency of all operating conditions considered is expressed as a function of the dimensionless Peclet number, which defines the relative effect of advection as compared to diffusion. This analysis is general enough to elucidate an important role of electrochemistry in ionization efficiency of any arrayed ion sources, be they mechanically-driven or electrosprays, and is vital for determining optimal design and operation conditions. PMID:20607111

Real space mapping of ionic diffusion and electrochemical activity in energy storage and conversion materials

DOEpatents

Kalinin, Sergei V; Balke, Nina; Kumar, Amit; Dudney, Nancy J; Jesse, Stephen

2014-05-06

A method and system for probing mobile ion diffusivity and electrochemical reactivity on a nanometer length scale of a free electrochemically active surface includes a control module that biases the surface of the material. An electrical excitation signal is applied to the material and induces the movement of mobile ions. An SPM probe in contact with the surface of the material detects the displacement of mobile ions at the surface of the material. A detector measures an electromechanical strain response at the surface of the material based on the movement and reactions of the mobile ions. The use of an SPM tip to detect local deformations allows highly reproducible measurements in an ambient environment without visible changes in surface structure. The measurements illustrate effective spatial resolution comparable with defect spacing and well below characteristic grain sizes of the material.

Anomalies in the equilibrium and nonequilibrium properties of correlated ions in complex molecular environments

NASA Astrophysics Data System (ADS)

Mahakrishnan, Sathiya; Chakraborty, Subrata; Vijay, Amrendra

2017-11-01

Emergent statistical attributes, and therefore the equations of state, of an assembly of interacting charge carriers embedded within a complex molecular environment frequently exhibit a variety of anomalies, particularly in the high-density (equivalently, the concentration) regime, which are not well understood, because they do not fall under the low-concentration phenomenologies of Debye-Hückel-Onsager and Poisson-Nernst-Planck, including their variants. To go beyond, we here use physical concepts and mathematical tools from quantum scattering theory, transport theory with the Stosszahlansatz of Boltzmann, and classical electrodynamics (Lorentz gauge) and obtain analytical expressions both for the average and the frequency-wave vector-dependent longitudinal and transverse current densities, diffusion coefficient, and the charge density, and therefore the analytical expressions for (a) the chemical potential, activity coefficient, and the equivalent conductivity for strong electrolytes and (b) the current-voltage characteristics for ion-transport processes in complex molecular environments. Using a method analogous to the notion of Debye length and thence the electrical double layer, we here identify a pair of characteristic length scales (longitudinal and the transverse), which, being wave vector and frequency dependent, manifestly exhibit nontrivial fluctuations in space-time. As a unifying theme, we advance a quantity (inverse length dimension), gscat(a ), which embodies all dynamical interactions, through various quantum scattering lengths, relevant to molecular species a, and the analytical behavior which helps us to rationalize the properties of strong electrolytes, including anomalies, in all concentration regimes. As an example, the behavior of gscat(a ) in the high-concentration regime explains the anomalous increase of the Debye length with concentration, as seen in a recent experiment on electrolyte solutions. We also put forth an extension of the standard diffusion equation, which manifestly incorporates the effects arising from the underlying microscopic collisions among constituent molecular species. Furthermore, we show a nontrivial connection between the current-voltage characteristics of electrolyte solutions and the Landauer's approach to electrical conduction in mesoscopic solids and thereby establish a definite conceptual bridge between the two disjoint subjects. For numerical insight, we present results on the aqueous solution of KCl as an example of strong electrolyte, and the transport (conduction as well as diffusion) of K+ ions in water, as an example of ion transport across the voltage-gated channels in biological cells.

Anomalies in the equilibrium and nonequilibrium properties of correlated ions in complex molecular environments.

PubMed

Mahakrishnan, Sathiya; Chakraborty, Subrata; Vijay, Amrendra

2017-11-01

Emergent statistical attributes, and therefore the equations of state, of an assembly of interacting charge carriers embedded within a complex molecular environment frequently exhibit a variety of anomalies, particularly in the high-density (equivalently, the concentration) regime, which are not well understood, because they do not fall under the low-concentration phenomenologies of Debye-Hückel-Onsager and Poisson-Nernst-Planck, including their variants. To go beyond, we here use physical concepts and mathematical tools from quantum scattering theory, transport theory with the Stosszahlansatz of Boltzmann, and classical electrodynamics (Lorentz gauge) and obtain analytical expressions both for the average and the frequency-wave vector-dependent longitudinal and transverse current densities, diffusion coefficient, and the charge density, and therefore the analytical expressions for (a) the chemical potential, activity coefficient, and the equivalent conductivity for strong electrolytes and (b) the current-voltage characteristics for ion-transport processes in complex molecular environments. Using a method analogous to the notion of Debye length and thence the electrical double layer, we here identify a pair of characteristic length scales (longitudinal and the transverse), which, being wave vector and frequency dependent, manifestly exhibit nontrivial fluctuations in space-time. As a unifying theme, we advance a quantity (inverse length dimension), g_{scat}^{(a)}, which embodies all dynamical interactions, through various quantum scattering lengths, relevant to molecular species a, and the analytical behavior which helps us to rationalize the properties of strong electrolytes, including anomalies, in all concentration regimes. As an example, the behavior of g_{scat}^{(a)} in the high-concentration regime explains the anomalous increase of the Debye length with concentration, as seen in a recent experiment on electrolyte solutions. We also put forth an extension of the standard diffusion equation, which manifestly incorporates the effects arising from the underlying microscopic collisions among constituent molecular species. Furthermore, we show a nontrivial connection between the current-voltage characteristics of electrolyte solutions and the Landauer's approach to electrical conduction in mesoscopic solids and thereby establish a definite conceptual bridge between the two disjoint subjects. For numerical insight, we present results on the aqueous solution of KCl as an example of strong electrolyte, and the transport (conduction as well as diffusion) of K^{+} ions in water, as an example of ion transport across the voltage-gated channels in biological cells.

SPATIAL DAMPING OF PROPAGATING KINK WAVES IN PROMINENCE THREADS

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

Soler, R.; Oliver, R.; Ballester, J. L., E-mail: roberto.soler@wis.kuleuven.be

Transverse oscillations and propagating waves are frequently observed in threads of solar prominences/filaments and have been interpreted as kink magnetohydrodynamic (MHD) modes. We investigate the spatial damping of propagating kink MHD waves in transversely nonuniform and partially ionized prominence threads. Resonant absorption and ion-neutral collisions (Cowling's diffusion) are the damping mechanisms taken into account. The dispersion relation of resonant kink waves in a partially ionized magnetic flux tube is numerically solved by considering prominence conditions. Analytical expressions of the wavelength and damping length as functions of the kink mode frequency are obtained in the thin tube and thin boundary approximations.more » For typically reported periods of thread oscillations, resonant absorption is an efficient mechanism for the kink mode spatial damping, while ion-neutral collisions have a minor role. Cowling's diffusion dominates both the propagation and damping for periods much shorter than those observed. Resonant absorption may explain the observed spatial damping of kink waves in prominence threads. The transverse inhomogeneity length scale of the threads can be estimated by comparing the observed wavelengths and damping lengths with the theoretically predicted values. However, the ignorance of the form of the density profile in the transversely nonuniform layer introduces inaccuracies in the determination of the inhomogeneity length scale.« less

The Synthesis and Characterization of Cerium Carbonate Hydroxide Nanorods as an Anode for Lithium-Ion Batteries

NASA Astrophysics Data System (ADS)

Zhou, Yining; Liu, Hefen; Liu, Jianqiang; Liu, Haowen

2018-03-01

Nanorods cerium carbonate hydroxide, CeCO3OH, was synthesized through a low-temperature reaction route. The data of x-ray diffraction and scanning electron microscopy revealed that the as-prepared samples were CeCO3OH nanorods. The diameters of the nanorods were in the range of 50-100 nm, and the lengths were around 300-500 nm. As an anode of a lithium ion battery, the charge-discharge capacity, cyclability and lithium-ion diffusion kinetics of CeCO3OH nanorods were investigated. The calculated lithium ion diffusion coefficient was 1.36 × 10-19 cm2 s-1. The initial discharge capacity was about 621.6 mA h g-1 at 0.2 mA cm-2 in 0.05-2.5 V. After 100 cycles, the discharge capacity stabilized at about 362 mA h g-1 and the Coulombic efficiency was nearly 98%, indicating the potential application in anodes of lithium-ion batteries.

On the value of the reconnection rate

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

Comisso, L.; Bhattacharjee, A.

Numerical simulations have consistently shown that the reconnection rate in certain collisionless regimes can be fast, of the order ofmore » $$0.1v_{A}B_{u}$$, where$$v_{A}$$and$$B_{u}$$are the Alfven speed and the reconnecting magnetic field upstream of the ion diffusion region. This particular value has been reported in myriad numerical simulations under disparate conditions. But, despite decades of research, the reasons underpinning this specific value remain mysterious. We present an overview of this problem and discuss the conditions under which the '0.1 value' is attained. Finally, we explain why this problem should be interpreted in terms of the ion diffusion region length.« less

On the value of the reconnection rate

DOE PAGES

Comisso, L.; Bhattacharjee, A.

2016-11-04

Numerical simulations have consistently shown that the reconnection rate in certain collisionless regimes can be fast, of the order ofmore » $$0.1v_{A}B_{u}$$, where$$v_{A}$$and$$B_{u}$$are the Alfven speed and the reconnecting magnetic field upstream of the ion diffusion region. This particular value has been reported in myriad numerical simulations under disparate conditions. But, despite decades of research, the reasons underpinning this specific value remain mysterious. We present an overview of this problem and discuss the conditions under which the '0.1 value' is attained. Finally, we explain why this problem should be interpreted in terms of the ion diffusion region length.« less

Electrochemical Impedance Imaging via the Distribution of Diffusion Times.

PubMed

Song, Juhyun; Bazant, Martin Z

2018-03-16

We develop a mathematical framework to analyze electrochemical impedance spectra in terms of a distribution of diffusion times (DDT) for a parallel array of random finite-length Warburg (diffusion) or Gerischer (reaction-diffusion) circuit elements. A robust DDT inversion method is presented based on complex nonlinear least squares regression with Tikhonov regularization and illustrated for three cases of nanostructured electrodes for energy conversion: (i) a carbon nanotube supercapacitor, (ii) a silicon nanowire Li-ion battery, and (iii) a porous-carbon vanadium flow battery. The results demonstrate the feasibility of nondestructive "impedance imaging" to infer microstructural statistics of random, heterogeneous materials.

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

Lee, Myoung-Jae; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr

The influence of Dupree diffusivity on the occurrence scattering time advance for the electron-ion collision is investigated in turbulent plasmas. The second-order eikonal method and the effective Dupree potential term associated with the plasma turbulence are employed to obtain the occurrence scattering time as a function of the diffusion coefficient, impact parameter, collision energy, thermal energy, and Debye length. The result shows that the occurrence scattering time advance decreases with an increase of the Dupree diffusivity. Hence, we have found that the influence of plasma turbulence diminishes the occurrence time advance in forward electron-ion collisions in thermal turbulent plasmas. Themore » occurrence time advance shows that the propensity of the occurrence time advance increases with increasing scattering angle. It is also found that the effect of turbulence due to the Dupree diffusivity on the occurrence scattering time advance decreases with an increase of the thermal energy. In addition, the variation of the plasma turbulence on the occurrence scattering time advance due to the plasma parameters is also discussed.« less

Brownian Dynamics simulations of model colloids in channel geometries and external fields

NASA Astrophysics Data System (ADS)

Siems, Ullrich; Nielaba, Peter

2018-04-01

We review the results of Brownian Dynamics simulations of colloidal particles in external fields confined in channels. Super-paramagnetic Brownian particles are well suited two- dimensional model systems for a variety of problems on different length scales, ranging from pedestrian walking through a bottleneck to ions passing ion-channels in living cells. In such systems confinement into channels can have a great influence on the diffusion and transport properties. Especially we will discuss the crossover from single file diffusion in a narrow channel to the diffusion in the extended two-dimensional system. Therefore a new algorithm for computing the mean square displacement (MSD) on logarithmic time scales is presented. In a different study interacting colloidal particles were dragged over a washboard potential and are additionally confined in a two-dimensional micro-channel. In this system kink and anti-kink solitons determine the depinning process of the particles from the periodic potential.

Study of fluorescence quenching due to 2, 3, 5, 6-tetrafluoro-7, 7', 8, 8'-tetracyano quinodimethane and its solid state diffusion analysis using photoluminescence spectroscopy.

PubMed

Tyagi, Priyanka; Tuli, Suneet; Srivastava, Ritu

2015-02-07

In this work, we have studied the fluorescence quenching and solid state diffusion of 2, 3, 5, 6-tetrafluoro-7,  7',  8,  8'-tetracyano quinodimethane (F4-TCNQ) using photoluminescence (PL) spectroscopy. Quenching studies were performed with tris (8-hydroxyquinolinato) aluminum (Alq3) in solid state samples. Thickness of F4-TCNQ was varied in order to realize different concentrations and study the effect of concentration. PL intensity has reduced with the increase in F4-TCNQ thicknesses. Stern-Volmer and bimolecular quenching constants were evaluated to be 13.8 M(-1) and 8.7 × 10(8) M(-1) s(-1), respectively. The quenching mechanism was found to be of static type, which was inferred by the independent nature of excited state life time from the F4-TCNQ thickness. Further, solid state diffusion of F4-TCNQ was studied by placing a spacing layer of α-NPD between F4-TCNQ and Alq3, and its thickness was varied to probe the diffusion length. PL intensity was found to increase with the increase in this thickness. Quenching efficiency was evaluated as a function of distance between F4-TCNQ and Alq3. These studies were performed for the samples having 1, 2.5, and 5.5 nm thicknesses of F4-TCNQ to study the thickness dependence of diffusion length. Diffusion lengths were evaluated to be 12.5, 15, and 20 nm for 1, 2.5, and 5.5 nm thicknesses of F4-TCNQ. These diffusion lengths were found to be very close to that of determined by secondary ion mass spectroscopy technique.

Relation of short-range and long-range lithium ion dynamics in glass-ceramics: Insights from 7Li NMR field-cycling and field-gradient studies

NASA Astrophysics Data System (ADS)

Haaks, Michael; Martin, Steve W.; Vogel, Michael

2017-09-01

We use various 7Li NMR methods to investigate lithium ion dynamics in 70Li 2S-30 P 2S5 glass and glass-ceramic obtained from this glass after heat treatment. We employ 7Li spin-lattice relaxometry, including field-cycling measurements, and line-shape analysis to investigate short-range ion jumps as well as 7Li field-gradient approaches to characterize long-range ion diffusion. The results show that ceramization substantially enhances the lithium ion mobility on all length scales. For the 70Li 2S-30 P 2S5 glass-ceramic, no evidence is found that bimodal dynamics result from different ion mobilities in glassy and crystalline regions of this sample. Rather, 7Li field-cycling relaxometry shows that dynamic susceptibilities in broad frequency and temperature ranges can be described by thermally activated jumps governed by a Gaussian distribution of activation energies g (Ea) with temperature-independent mean value Em=0.43 eV and standard deviation σ =0.07 eV . Moreover, use of this distribution allows us to rationalize 7Li line-shape results for the local ion jumps. In addition, this information about short-range ion dynamics further explains 7Li field-gradient results for long-range ion diffusion. In particular, we quantitatively show that, consistent with our experimental results, the temperature dependence of the self-diffusion coefficient D is not described by the mean activation energy Em of the local ion jumps, but by a significantly smaller apparent value whenever the distribution of correlation times G (logτ ) of the jump motion derives from an invariant distribution of activation energies and, hence, continuously broadens upon cooling. This effect occurs because the harmonic mean, which determines the results of diffusivity or also conductivity studies, continuously separates from the peak position of G (logτ ) when the width of this distribution increases.

Theoretical prediction of the impact of Auger recombination on charge collection from an ion track

NASA Technical Reports Server (NTRS)

Edmonds, Larry D.

1991-01-01

A recombination mechanism that significantly reduces charge collection from very dense ion tracks in silicon devices was postulated by Zoutendyk et al. The theoretical analysis presented here concludes that Auger recombination is such a mechanism and is of marginal importance for higher density tracks produced by 270-MeV krypton, but of major importance for higher density tracks. The analysis shows that recombination loss is profoundly affected by track diffusion. As the track diffuses, the density and recombination rate decrease so fast that the linear density (number of electron-hole pairs per unit length) approaches a non-zero limiting value as t yields infinity. Furthermore, the linear density is very nearly equal to this limiting value in a few picoseconds or less. When Auger recombination accompanies charge transport processes that have much longer time scales, it can be simulated by assigning a reduced linear energy transfer to the ion.

Diffuse charge dynamics in ionic thermoelectrochemical systems.

PubMed

Stout, Robert F; Khair, Aditya S

2017-08-01

Thermoelectrics are increasingly being studied as promising electrical generators in the ongoing search for alternative energy sources. In particular, recent experimental work has examined thermoelectric materials containing ionic charge carriers; however, the majority of mathematical modeling has been focused on their steady-state behavior. Here, we determine the time scales over which the diffuse charge dynamics in ionic thermoelectrochemical systems occur by analyzing the simplest model thermoelectric cell: a binary electrolyte between two parallel, blocking electrodes. We consider the application of a temperature gradient across the device while the electrodes remain electrically isolated from each other. This results in a net voltage, called the thermovoltage, via the Seebeck effect. At the same time, the Soret effect results in migration of the ions toward the cold electrode. The charge dynamics are described mathematically by the Poisson-Nernst-Planck equations for dilute solutions, in which the ion flux is driven by electromigration, Brownian diffusion, and thermal diffusion under a temperature gradient. The temperature evolves according to the heat equation. This nonlinear set of equations is linearized in the (experimentally relevant) limit of a "weak" temperature gradient. From this, we show that the time scale on which the thermovoltage develops is the Debye time, 1/Dκ^{2}, where D is the Brownian diffusion coefficient of both ion species, and κ^{-1} is the Debye length. However, the concentration gradient due to the Soret effect develops on the bulk diffusion time, L^{2}/D, where L is the distance between the electrodes. For thin diffuse layers, which is the condition under which most real devices operate, the Debye time is orders of magnitude less than the diffusion time. Therefore, rather surprisingly, the majority of ion motion occurs after the steady thermovoltage has developed. Moreover, the dynamics are independent of the thermal diffusion coefficients, which simply set the magnitude of the steady-state thermovoltage.

Diffuse charge dynamics in ionic thermoelectrochemical systems

NASA Astrophysics Data System (ADS)

Stout, Robert F.; Khair, Aditya S.

2017-08-01

Thermoelectrics are increasingly being studied as promising electrical generators in the ongoing search for alternative energy sources. In particular, recent experimental work has examined thermoelectric materials containing ionic charge carriers; however, the majority of mathematical modeling has been focused on their steady-state behavior. Here, we determine the time scales over which the diffuse charge dynamics in ionic thermoelectrochemical systems occur by analyzing the simplest model thermoelectric cell: a binary electrolyte between two parallel, blocking electrodes. We consider the application of a temperature gradient across the device while the electrodes remain electrically isolated from each other. This results in a net voltage, called the thermovoltage, via the Seebeck effect. At the same time, the Soret effect results in migration of the ions toward the cold electrode. The charge dynamics are described mathematically by the Poisson-Nernst-Planck equations for dilute solutions, in which the ion flux is driven by electromigration, Brownian diffusion, and thermal diffusion under a temperature gradient. The temperature evolves according to the heat equation. This nonlinear set of equations is linearized in the (experimentally relevant) limit of a "weak" temperature gradient. From this, we show that the time scale on which the thermovoltage develops is the Debye time, 1 /D κ2 , where D is the Brownian diffusion coefficient of both ion species, and κ-1 is the Debye length. However, the concentration gradient due to the Soret effect develops on the bulk diffusion time, L2/D , where L is the distance between the electrodes. For thin diffuse layers, which is the condition under which most real devices operate, the Debye time is orders of magnitude less than the diffusion time. Therefore, rather surprisingly, the majority of ion motion occurs after the steady thermovoltage has developed. Moreover, the dynamics are independent of the thermal diffusion coefficients, which simply set the magnitude of the steady-state thermovoltage.

Simulation of radiation damage in minerals by sequential ion irradiations

NASA Astrophysics Data System (ADS)

Nakasuga, W. M.; Li, W.; Ewing, R. C.

2015-12-01

Radiation effects due to α-decay of U and Th and spontaneous fission of 238U control the production and recovery of the radiation-induced structure of minerals, as well as the diffusion of elements through the mineral host. However, details of how the damage microstructure is produced and annealed remain unknown. Our recent ion beam experiments demonstrate that ionizing radiation from the α-particle recovers the damage structure. Thus, the damage structure is not only the result of the thermal hisotry of the sample, but also of the complex interaction between ionizing and ballistic damage mechanisms. By combining ion irradiations with transmission electron microscopy (TEM), we have simulated the damage produced by α-decay and fission. The α-particle induced annealing has been simulated by in situ TEM observation of consecutive ion-irradiations: i.) 1 MeV Kr2+ (simulating 70 keV α-recoils induced damage), ii.) followed by 400 keV He+ (simulating 4.5 MeV α-particle induced annealing). Thus, in addition to the well-established effects of thermal annealing, the α-particle annealing effects, as evidenced by partical recrystallization of the originally, fully-amorphous apatite upon the α-particle irriadations, should also be considered when evaluating diffusion and release of elements, such as He. In addition, the fission track annealing has been simulated by a new sample preparation method that allows for direct observation of radiation damage recovery at each point along the length of latent tracks created by 80 MeV Xe ions (a typical fission fragment). The initial, rapid reduction in etched track length during isothermal annealing is explained by the rapid annealing of those sections of the track with smaller diameters, as observed directly by in situ TEM. In summary, the atomic-scale investigation of radiation damage in minerals is critical to understanding of the influence of raidation damage on diffusion and kinetics that are fundamental to geochronology.

Thermal plasma and fast ion transport in electrostatic turbulence in the large plasma devicea)

NASA Astrophysics Data System (ADS)

Zhou, Shu; Heidbrink, W. W.; Boehmer, H.; McWilliams, R.; Carter, T. A.; Vincena, S.; Tripathi, S. K. P.; Van Compernolle, B.

2012-05-01

The transport of thermal plasma and fast ions in electrostatic microturbulence is studied. Strong density and potential fluctuations (δn /n˜δφ/kTe ˜ 0.5, f ˜ 5-50 kHz) are observed in the large plasma device (LAPD) [W. Gekelman, H. Pfister, Z. Lucky et al., Rev. Sci. Instrum. 62, 2875 (1991)] in density gradient regions produced by obstacles with slab or cylindrical geometry. Wave characteristics and the associated plasma transport are modified by driving sheared E × B drift through biasing the obstacle and by modification of the axial magnetic fields (Bz) and the plasma species. Cross-field plasma transport is suppressed with small bias and large Bz and is enhanced with large bias and small Bz. The transition in thermal plasma confinement is well explained by the cross-phase between density and potential fluctuations. Large gyroradius lithium fast ion beam (ρfast/ρs ˜ 10) orbits through the turbulent region. Scans with a collimated analyzer give detailed profiles of the fast ion spatial-temporal distribution. Fast-ion transport decreases rapidly with increasing fast-ion energy and gyroradius. Background waves with different scale lengths also alter the fast ion transport. Experimental results agree well with gyro-averaging theory. When the fast ion interacts with the wave for most of a wave period, a transition from super-diffusive to sub-diffusive transport is observed, as predicted by diffusion theory. Besides turbulent-wave-induced fast-ion transport, the static radial electric field (Er) from biasing the obstacle leads to drift of the fast-ion beam centroid. The drift and broadening of the beam due to static Er are evaluated both analytically and numerically. Simulation results indicate that the Er induced transport is predominately convective.

Overestimation of Mach number due to probe shadow

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

Gosselin, J. J.; Thakur, S. C.; Tynan, G. R.

2016-07-15

Comparisons of the plasma ion flow speed measurements from Mach probes and laser induced fluorescence were performed in the Controlled Shear Decorrelation Experiment. We show the presence of the probe causes a low density geometric shadow downstream of the probe that affects the current density collected by the probe in collisional plasmas if the ion-neutral mean free path is shorter than the probe shadow length, L{sub g} = w{sup 2} V{sub drift}/D{sub ⊥}, resulting in erroneous Mach numbers. We then present a simple correction term that provides the corrected Mach number from probe data when the sound speed, ion-neutral mean free path,more » and perpendicular diffusion coefficient of the plasma are known. The probe shadow effect must be taken into account whenever the ion-neutral mean free path is on the order of the probe shadow length in linear devices and the open-field line region of fusion devices.« less

Estimation of Sorption Behavior of Europium(III) Using Biotite Flakes - 13272

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

Sasaki, Go; Niibori, Yuichi; Mimura, Hitoshi

2013-07-01

The interaction of biotite and Eu(III) (europium (III)) was examined by using secondary ion-microprobe mass spectrometer (SIMS), fluorescence emission spectrum and decay behavior of fluorescence emission spectrum in addition to the time-changes of Eu(III) and potassium ions concentrations in a solution, using the flake form samples. The results of SIMS showed that the intensity of Eu was gradually decreasing with depth, while the intensity of Eu in the case shaken for 30 days exceeded that in the case for 1 day. Furthermore, the spatial distribution of Eu(III) and potassium ions in the flake of biotite suggested that Eu ions diffusemore » mainly from the edges of biotite flake, while Eu ions can slightly diffuse through some small cracks existing on the flake surface far from the edges. Besides, the elution amount of potassium from the biotite flakes into a solution was proportional to the sorption amount of Eu(III). The changes nearly revealed ion exchange between these ions, while muscovite flake sample did not show such ion exchange reaction. In addition, from the time-change of Eu(III) concentration, an apparent diffusion coefficient was estimated to be 8.0x10{sup -12} m{sup 2}/s, by using two-dimensional diffusion model coupled with a film between the solid phase and the liquid phase. Furthermore, the fluorescent intensity decreased with the shaking (contacting) time. This means that Eu(III) gradually diffuses into the inside of biotite edges of the biotite flakes, after the sorption of Eu(III) in the edges. This tendency was observed also in the powder samples. The observed fluorescence decay (at 592 nm in wave length) showed almost similar curve in any samples, indicating a certain sorption form of Eu(III) onto the edges of the biotite flakes. These results mentioned above suggest that the diffusion processes through internal layer in biotite mainly control the sorption behavior of multivalent ions. Such diffusion processes affect the retardation-effects on fracture surfaces in the rock matrix, depending on the fluid flow velocity of groundwater. That is, a more reliable model considering the mass transfer in the internal layer of biotite may be required to estimate the sorption behavior of RNs with biotite which controls the whole sorption behavior of granite. (authors)« less

Effect of low-energy hydrogen ion implantation on dendritic web silicon solar cells

NASA Technical Reports Server (NTRS)

Rohatgi, A.; Meier, D. L.; Rai-Choudhury, P.; Fonash, S. J.; Singh, R.

1986-01-01

The effect of a low-energy (0.4 keV), short-time (2-min), heavy-dose (10 to the 18th/sq cm) hydrogen ion implant on dendritic web silicon solar cells and material was investigated. Such an implant was observed to improve the cell open-circuit voltage and short-circuit current appreciably for a number of cells. In spite of the low implant energy, measurements of internal quantum efficiency indicate that it is the base of the cell, rather than the emitter, which benefits from the hydrogen implant. This is supported by the observation that the measured minority-carrier diffusion length in the base did not change when the emitter was removed. In some cases, a threefold increase of the base diffusion length was observed after implantation. The effects of the hydrogen implantation were not changed by a thermal stress test at 250 C for 111 h in nitrogen. It is speculated that hydrogen enters the bulk by traveling along dislocations, as proposed recently for edge-defined film-fed growth silicon ribbon.

Ion Transport and Structural Properties of Polymeric Electrolytes and Ionic Liquids from Molecular Dynamics Simulations

NASA Astrophysics Data System (ADS)

Borodin, Oleg

2010-03-01

Molecular dynamics simulations are well suited for exploring electrolyte structure and ion transport mechanisms on the nanometer length scale and the nanosecond time scales. In this presentation we will describe how MD simulations assist in answering fundamental questions about the lithium transport mechanisms in polymeric electrolytes and ionic liquids. In particular, in the first part of the presentation the extent of ion aggregation, the structure of ion aggregates and the lithium cation diffusion in binary polymeric electrolytes will be compared with that of single-ion conducting polymers. In the second part of the talk, the lithium transport in polymeric electrolytes will be compared with that of three ionic liquids ( [emim][FSI] doped with LiFSI , [pyr13][FSI] doped with LiFSI, [emim][BF4] doped with LiBF4). The relation between ionic liquid self-diffusion, conductivity and thermodynamic properties will be discussed in details. A number of correlations between heat of vaporization Hvap, cation-anion binding energy (E+/-), molar volume (Vm), self-diffusion coefficient (D) and ionic conductivity for 29 ionic liquids have been investigated using MD simulations. A significant correlation between D and Hvap has been found, while best correlation was found for -log((D Vm)) vs. Hvap+0.28E+/-. A combination of enthalpy of vaporization and a fraction of the cation-anion binding energy was suggested as a measure of the effective cohesive energy for ionic liquids.

Characterization of TiN/B-C-N multilayers by transmission electron microscopy, ion beam backscattering, and low angle x-ray diffraction

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

Kung, H.; Fayeulle, S.; Nastasi, M.

1997-10-01

The effects of Ar ion irradiation on the structure and stability of multilayered DC sputtered thin films of TiN/B-C-N have been studied. An increase of the bilayer repeat length to a maximum of 12.8% and departure of nitrogen from the film was observed indicating the interdiffusion between TiN and B-C-N layers. For the highest dose (5 {times} 10{sup 16} ions/cm{sup 2}) the multilayered structure partly disappears. The various mechanisms are discussed in terms of stress-driven diffusion and viscous flow of atoms.

Molecular dynamic simulation of dicationic ionic liquids: effects of anions and alkyl chain length on liquid structure and diffusion.

PubMed

Yeganegi, Saeid; Soltanabadi, Azim; Farmanzadeh, Davood

2012-09-20

Structures and dynamics of nine geminal dicationic ionic liquids (DILs) Cn(mim)2X2, where n = 3, 6, and 9 and X = PF6(-), BF4(-), and Br(-), were studied by molecular dynamic simulations (J. Phys. Chem.B2004, 108, 2038-2047). A force field with a minor modification for C3(mim)2 × 2 was adopted for the simulations. Densities, detailed microscopic structures, mean-square displacements (MSD), and self-diffusivities for various ion pairs from MD simulations have been presented. The calculated densities for C9(mim)2X2 (X = Br(-) and BF4(-)) agreed well with the experimental values. The calculated RDFs show that anions are well organized around the imidazolium rings. The calculated RDFs indicate that, unlike the mono cationic ILs, the anions and cations in DILs distribute homogeneously. Enthalpies of vaporization were calculated and correlated with the structural features of DILs. The local structure of C9(mim)2X2 (X = Br, PF6) was examined by the spatial distribution function (SDF). The calculated SDFs show that similar trends were found by other groups for mono cationic ionic liquids (ILs). The highest probability densities are located around the imidazolium ring hydrogens. The calculated diffusion coefficients show that the ion diffusivities are 1 order of magnitude smaller than that of the mono cationic ionic liquids. The effects of alkyl chain length and anion type on the diffusion coefficient were also studied. The dynamics of the imidazolium rings and the alkyl chain in different time scales have also discussed. The calculated transference numbers show that the anions have the major role in carrying the electric current in a DIL.

Calculation of the non-inductive current profile in high-performance NSTX plasmas

NASA Astrophysics Data System (ADS)

Gerhardt, S. P.; Fredrickson, E.; Gates, D.; Kaye, S.; Menard, J.; Bell, M. G.; Bell, R. E.; Le Blanc, B. P.; Kugel, H.; Sabbagh, S. A.; Yuh, H.

2011-03-01

The constituents of the current profile have been computed for a wide range of high-performance plasmas in NSTX (Ono et al 2000 Nucl. Fusion 40 557); these include cases designed to maximize the non-inductive fraction, pulse length, toroidal-β or stored energy. In the absence of low-frequency MHD activity, good agreement is found between the reconstructed current profile and that predicted by summing the independently calculated inductive, pressure-driven and neutral beam currents, without the need to invoke any anomalous beam ion diffusion. Exceptions occur, for instance, when there are toroidal Alfvén eigenmode avalanches or coupled m/n = 1/1 + 2/1 kink-tearing modes. In these cases, the addition of a spatially and temporally dependent fast-ion diffusivity can reduce the core beam current drive, restoring agreement between the reconstructed profile and the summed constituents, as well as bringing better agreement between the simulated and measured neutron emission rate. An upper bound on the fast-ion diffusivity of ~0.5-1 m2 s-1 is found in 'MHD-free' discharges, based on the neutron emission, the time rate of change in the neutron signal when a neutral beam is stepped and reconstructed on-axis current density.

Evidence for Secondary Flux Rope Generated by the Electron Kelvin-Helmholtz Instability in a Magnetic Reconnection Diffusion Region

NASA Astrophysics Data System (ADS)

Zhong, Z. H.; Tang, R. X.; Zhou, M.; Deng, X. H.; Pang, Y.; Paterson, W. R.; Giles, B. L.; Burch, J. L.; Tobert, R. B.; Ergun, R. E.; Khotyaintsev, Y. V.; Lindquist, P.-A.

2018-02-01

Secondary flux ropes are suggested to play important roles in energy dissipation and particle acceleration during magnetic reconnection. However, their generation mechanism is not fully understood. In this Letter, we present the first direct evidence that a secondary flux rope was generated due to the evolution of an electron vortex, which was driven by the electron Kelvin-Helmholtz instability in an ion diffusion region as observed by the Magnetospheric Multiscale mission. The subion scale (less than the ion inertial length) flux rope was embedded within the electron vortex, which contained a secondary electron diffusion region at the trailing edge of the flux rope. We propose that intense electron shear flow produced by reconnection generated the electron Kelvin-Helmholtz vortex, which induced a secondary reconnection in the exhaust of the primary X line and then led to the formation of the flux rope. This result strongly suggests that secondary electron Kelvin-Helmholtz instability is important for reconnection dynamics.

Ion beam analyses of radionuclide migration in heterogeneous rocks

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

Alonso, Ursula; Missana, Tiziana; Garcia-Gutierrez, Miguel

2013-07-18

The migration of radionuclides (RN) in the environment is a topic of general interest, for its implications on public health, and it is an issue for the long-term safety studies of deep geological repositories (DGR) for high-level radioactive waste. The role played by colloids on RN migration is also of great concern. Diffusion and sorption are fundamental mechanisms controlling RN migration in rocks and many experimental approaches are applied to determine transport parameters for low sorbing RN in homogeneous rocks. However, it is difficult to obtain relevant data for high sorbing RN or colloids, for which diffusion lengths are extremelymore » short, or within heterogeneous rocks, where transport might be different in different minerals. The ion beam techniques Rutherford Backscattering Spectrometry (RBS) and micro-Particle Induced X-Ray Emission ({mu}PIXE), rarely applied in the field, were selected for their micro-analytical potential to study RN diffusion and surface retention within heterogeneous rocks. Main achievements obtained during last 12 years are highlighted.« less

Evidence for Secondary Flux Rope Generated by the Electron Kelvin-Helmholtz Instability in a Magnetic Reconnection Diffusion Region.

PubMed

Zhong, Z H; Tang, R X; Zhou, M; Deng, X H; Pang, Y; Paterson, W R; Giles, B L; Burch, J L; Tobert, R B; Ergun, R E; Khotyaintsev, Y V; Lindquist, P-A

2018-02-16

Secondary flux ropes are suggested to play important roles in energy dissipation and particle acceleration during magnetic reconnection. However, their generation mechanism is not fully understood. In this Letter, we present the first direct evidence that a secondary flux rope was generated due to the evolution of an electron vortex, which was driven by the electron Kelvin-Helmholtz instability in an ion diffusion region as observed by the Magnetospheric Multiscale mission. The subion scale (less than the ion inertial length) flux rope was embedded within the electron vortex, which contained a secondary electron diffusion region at the trailing edge of the flux rope. We propose that intense electron shear flow produced by reconnection generated the electron Kelvin-Helmholtz vortex, which induced a secondary reconnection in the exhaust of the primary X line and then led to the formation of the flux rope. This result strongly suggests that secondary electron Kelvin-Helmholtz instability is important for reconnection dynamics.

Non-uniform lithium-ion migration on micrometre scale for garnet- and NASICON-type solid electrolytes studied by 7Li PGSE-NMR diffusion spectroscopy.

PubMed

Hayamizu, Kikuko; Seki, Shiro; Haishi, Tomoyuki

2018-06-21

The migration behaviours of Li+ in three garnet- and one NASICON-type solid oxide electrolytes were studied on the micrometre scale by pulsed-gradient spin-echo (PGSE) 7Li NMR diffusion spectroscopy to clarify common and specific characteristics of each electrolyte. In these solid electrolytes, clear evidences of grain boundary effects in the diffusion of Li+ were not observed. The Li+ diffusion constants were dependent on parameters such as observation time (Δ) and pulsed field gradient (PFG) strength (g) for all the studied inorganic solid electrolytes. For low Δ values, Li+ ions underwent collisions and diffractions with diffraction distance Rdiffraction [μm]. The apparent Li+ diffusion constants (Dapparent [m2 s-1]) exhibited distributions in a wide range. In this paper, we introduced the apparent diffusion radius, rradius [μm], and compared it with Rdiffraction and mean square displacement (MSD) [μm]; the lengths of these distances were of the micrometre order (10-6 m). The relations between the values of rradius, Rdiffraction and MSD suggested that the migration behaviours of Li+ on the micrometre scale were complicated. Using high Δ and high g values, we obtained an equilibrated value of DLi. The temperature dependences of the number of carrier ions were estimated from the DLi values and ionic conductivities in the four solid oxide electrolytes. For simple comparison and reference, the data of DLi and ionic conductivity of LiPF6 in 1 M solution of propylene carbonate were added.

Molecular dynamics of acetamide based ionic deep eutectic solvents

NASA Astrophysics Data System (ADS)

Srinivasan, H.; Dubey, P. S.; Sharma, V. K.; Biswas, R.; Mitra, S.; Mukhopadhyay, R.

2018-04-01

Deep eutectic solvents are multi-component mixtures that have freezing point lower than their individual components. Mixture of acetamide+ lithium nitrate in the molar ratio 78:22 and acetamide+ lithium perchlorate in the molar ratio 81:19 are found to form deep eutectic solvents with melting point lower than the room temperature. It is known that the depression in freezing point is due to the hydrogen bond breaking ability of anions in the system. Quasielastic neutron scattering experiments on these systems were carried out to study the dynamics of acetamide molecules which may be influenced by this hydrogen bond breaking phenomena. The motion of acetamide molecules is modeled using jump diffusion mechanism to demonstrate continuous breaking and reforming hydrogen bonds in the solvent. Using the jump diffusion model, it is inferred that the jump lengths of acetamide molecules are better approximated by a Gaussian distribution. The shorter residence time of acetamide in presence of perchlorate ions suggest that the perchlorate ions have a higher hydrogen bond breaking ability compared to nitrate ions.

Formation of tungsten oxide nanowires by ion irradiation and vacuum annealing

NASA Astrophysics Data System (ADS)

Zheng, Xu-Dong; Ren, Feng; Wu, Heng-Yi; Qin, Wen-Jing; Jiang, Chang-Zhong

2018-04-01

Here we reported the fabrication of tungsten oxide (WO3-x ) nanowires by Ar+ ion irradiation of WO3 thin films followed by annealing in vacuum. The nanowire length increases with increasing irradiation fluence and with decreasing ion energy. We propose that the stress-driven diffusion of the irradiation-induced W interstitial atoms is responsible for the formation of the nanowires. Comparing to the pristine film, the fabricated nanowire film shows a 106-fold enhancement in electrical conductivity, resulting from the high-density irradiation-induced vacancies on the oxygen sublattice. The nanostructure exhibits largely enhanced surface-enhanced Raman scattering effect due to the oxygen vacancy. Thus, ion irradiation provides a powerful approach for fabricating and tailoring the surface nanostructures of semiconductors.

Reactions and Transport: Diffusion, Inertia, and Subdiffusion

NASA Astrophysics Data System (ADS)

Méndez, Vicenç; Fedotov, Sergei; Horsthemke, Werner

Particles, such as molecules, atoms, or ions, and individuals, such as cells or animals, move in space driven by various forces or cues. In particular, particles or individuals can move randomly, undergo velocity jump processes or spatial jump processes [333]. The steps of the random walk can be independent or correlated, unbiased or biased. The probability density function (PDF) for the jump length can decay rapidly or exhibit a heavy tail. Similarly, the PDF for the waiting time between successive jumps can decay rapidly or exhibit a heavy tail. We will discuss these various possibilities in detail in Chap. 3. Below we provide an introduction to three transport processes: standard diffusion, transport with inertia, and anomalous diffusion.

B2O3/SiO2 substitution effect on structure and properties of Na2O-CaO-SrO-P2O5-SiO2 bioactive glasses from molecular dynamics simulations.

PubMed

Ren, Mengguo; Lu, Xiaonan; Deng, Lu; Kuo, Po-Hsuen; Du, Jincheng

2018-05-23

The effect of B2O3/SiO2 substitution in SrO-containing 55S4.3 bioactive glasses on glass structure and properties, such as ionic diffusion and glass transition temperature, was investigated by combining experiments and molecular dynamics simulations with newly developed potentials. Both short-range (such as bond length and bond angle) and medium-range (such as polyhedral connection and ring size distribution) structures were determined as a function of glass composition. The simulation results were used to explain the experimental results for glass properties such as glass transition temperature and bioactivity. The fraction of bridging oxygen increased linearly with increasing B2O3 content, resulting in an increase in overall glass network connectivity. Ion diffusion behavior was found to be sensitive to changes in glass composition and the trend of the change with the level of substitution is also temperature dependent. The differential scanning calorimetry (DSC) results show a decrease in glass transition temperature (Tg) with increasing B2O3 content. This is explained by the increase in ion diffusion coefficient and decrease in ion diffusion energy barrier in glass melts, as suggested by high-temperature range (above Tg) ion diffusion calculations as B2O3/SiO2 substitution increases. In the low-temperature range (below Tg), the Ea for modifier ions increased with B2O3/SiO2 substitution, which can be explained by the increase in glass network connectivity. Vibrational density of states (VDOS) were calculated and show spectral feature changes as a result of the substitution. The change in bioactivity with B2O3/SiO2 substitution is discussed with the change in pH value and release of boric acid into the solution.

Development of high-efficiency solar cells on silicon web

NASA Technical Reports Server (NTRS)

Meier, D. L.; Greggi, J.; Rai-Choudhury, P.

1986-01-01

Work is reported aimed at identifying and reducing sources of carrier recombination both in the starting web silicon material and in the processed cells. Cross-sectional transmission electron microscopy measurements of several web cells were made and analyzed. The effect of the heavily twinned region on cell efficiency was modeled, and the modeling results compared to measured values for processed cells. The effects of low energy, high dose hydrogen ion implantation on cell efficiency and diffusion length were examined. Cells were fabricated from web silicon known to have a high diffusion length, with a new double layer antireflection coating being applied to these cells. A new contact system, to be used with oxide passivated cells and which greatly reduces the area of contact between metal and silicon, was designed. The application of DLTS measurements to beveled samples was further investigated.

Fully Coupled Simulation of Lithium Ion Battery Cell Performance

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

Trembacki, Bradley L.; Murthy, Jayathi Y.; Roberts, Scott Alan

Lithium-ion battery particle-scale (non-porous electrode) simulations applied to resolved electrode geometries predict localized phenomena and can lead to better informed decisions on electrode design and manufacturing. This work develops and implements a fully-coupled finite volume methodology for the simulation of the electrochemical equations in a lithium-ion battery cell. The model implementation is used to investigate 3D battery electrode architectures that offer potential energy density and power density improvements over traditional layer-by-layer particle bed battery geometries. Advancement of micro-scale additive manufacturing techniques has made it possible to fabricate these 3D electrode microarchitectures. A variety of 3D battery electrode geometries are simulatedmore » and compared across various battery discharge rates and length scales in order to quantify performance trends and investigate geometrical factors that improve battery performance. The energy density and power density of the 3D battery microstructures are compared in several ways, including a uniform surface area to volume ratio comparison as well as a comparison requiring a minimum manufacturable feature size. Significant performance improvements over traditional particle bed electrode designs are observed, and electrode microarchitectures derived from minimal surfaces are shown to be superior. A reduced-order volume-averaged porous electrode theory formulation for these unique 3D batteries is also developed, allowing simulations on the full-battery scale. Electrode concentration gradients are modeled using the diffusion length method, and results for plate and cylinder electrode geometries are compared to particle-scale simulation results. Additionally, effective diffusion lengths that minimize error with respect to particle-scale results for gyroid and Schwarz P electrode microstructures are determined.« less

Effects of positive ion implantation into antireflection coating of silicon solar cells

NASA Technical Reports Server (NTRS)

Middleton, A. E.; Harpster, J. W.; Collis, W. J.; Kim, C. K.

1971-01-01

The state of technological development of Si solar cells for highest obtained efficiency and radiation resistance is summarized. The various theoretical analyses of Si solar cells are reviewed. It is shown that factors controlling blue response are carrier diffusion length, surface recombination, impurity concentration profile in surface region, high level of surface impurity concentration (degeneracy), reflection coefficient of oxide, and absorption coefficient of Si. The theory of ion implantation of charge into the oxide antireflection coating is developed and side effects are discussed. The experimental investigations were directed at determining whether the blue response of Si solar cells could be improved by phosphorus ion charges introduced into the oxide antireflection coating.

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

Oxygen-induced high diffusion rate of magnesium dopants in GaN/AlGaN based UV LED heterostructures.

PubMed

Michałowski, Paweł Piotr; Złotnik, Sebastian; Sitek, Jakub; Rosiński, Krzysztof; Rudziński, Mariusz

2018-05-23

Further development of GaN/AlGaN based optoelectronic devices requires optimization of the p-type material growth process. In particular, uncontrolled diffusion of Mg dopants may decrease the performance of a device. Thus it is meaningful to study the behavior of Mg and the origins of its diffusion in detail. In this work we have employed secondary ion mass spectrometry to study the diffusion of magnesium in GaN/AlGaN structures. We show that magnesium has a strong tendency to form Mg-H complexes which immobilize Mg atoms and restrain their diffusion. However, these complexes are not present in samples post-growth annealed in an oxygen atmosphere or Al-rich AlGaN structures which naturally have a high oxygen concentration. In these samples, more Mg atoms are free to diffuse and thus the average diffusion length is considerably larger than for a sample annealed in an inert atmosphere.

Preparation of 3D nanoporous copper-supported cuprous oxide for high-performance lithium ion battery anodes.

PubMed

Liu, Dequan; Yang, Zhibo; Wang, Peng; Li, Fei; Wang, Desheng; He, Deyan

2013-03-07

Three-dimensional (3D) nanoporous architectures can provide efficient and rapid pathways for Li-ion and electron transport as well as short solid-state diffusion lengths in lithium ion batteries (LIBs). In this work, 3D nanoporous copper-supported cuprous oxide was successfully fabricated by low-cost selective etching of an electron-beam melted Cu(50)Al(50) alloy and subsequent in situ thermal oxidation. The architecture was used as an anode in lithium ion batteries. In the first cycle, the sample delivered an extremely high lithium storage capacity of about 2.35 mA h cm(-2). A high reversible capacity of 1.45 mA h cm(-2) was achieved after 120 cycles. This work develops a promising approach to building reliable 3D nanostructured electrodes for high-performance lithium ion batteries.

Ion peak narrowing by applying additional AC voltage (ripple voltage) to FAIMS extractor electrode.

PubMed

Pervukhin, Viktor V; Sheven, Dmitriy G

2010-01-01

The use of a non-uniform electric field in a high-field asymmetric waveform ion mobility spectrometry (FAIMS) analyzer increases sensitivity but decreases resolution. The application of an additional AC voltage to the extractor electrode ("ripple" voltage, U(ripple)) can overcome this effect, which decreases the FAIMS peak width. In this approach, the diffusion ion loss remains minimal in the non-uniform electric field in the cylindrical part of the device, and all ion losses under U(ripple) occur in a short portion of their path. Application of the ripple voltage to the extractor electrode is twice as efficient as the applying of U(ripple) along the total length of the device. 2010 American Society for Mass Spectrometry. Published by Elsevier Inc. All rights reserved.

Microgravity

NASA Image and Video Library

1995-09-17

Horse Serum Albumin crystals grown during the USML-1 (STS-50) mission's Protein Crystal Growth Glovebox Experiment. These crystals were grown using a vapor diffusion technique at 22 degrees C. The crystals were allowed to grow for nine days while in orbit. Crystals of 1.0 mm in length were produced. The most abundant blood serum protein, regulates blood pressure and transports ions, metabolites, and therapeutic drugs. Principal Investigator was Edward Meehan.

Direct evidence of the recombination of silicon interstitial atoms at the silicon surface

NASA Astrophysics Data System (ADS)

Lamrani, Y.; Cristiano, F.; Colombeau, B.; Scheid, E.; Calvo, P.; Schäfer, H.; Claverie, Alain

2004-02-01

In this experiment, a Si wafer containing four lightly doped B marker layers epitaxially grown by CVD has been implanted with 100 keV Si + ions to a dose of 2 × 10 14 ions/cm 2 and annealed at 850 °C for several times in an RTA system in flowing N 2. TEM and SIMS analysis, in conjunction with a transient enhanced diffusion (TED) evaluation method based on the kick-out diffusion mechanism, have allowed us to accurately study the boron TED evolution in presence of extended defects. We show that the silicon surface plays a key role in the recombination of Si interstitial atoms by providing the first experimental evidence of the resulting Si ints supersaturation gradient between the defect region and the surface. Our results indicate an upper limit of about 200 nm for the surface recombination length of Si interstitials at 850 °C in a N 2 ambient.

Permeation of halide anions through phospholipid bilayers occurs by the solubility-diffusion mechanism

NASA Technical Reports Server (NTRS)

Paula, S.; Volkov, A. G.; Deamer, D. W.

1998-01-01

Two alternative mechanisms are frequently used to describe ionic permeation of lipid bilayers. In the first, ions partition into the hydrophobic phase and then diffuse across (the solubility-diffusion mechanism). The second mechanism assumes that ions traverse the bilayer through transient hydrophilic defects caused by thermal fluctuations (the pore mechanism). The theoretical predictions made by both models were tested for halide anions by measuring the permeability coefficients for chloride, bromide, and iodide as a function of bilayer thickness, ionic radius, and sign of charge. To vary the bilayer thickness systematically, liposomes were prepared from monounsaturated phosphatidylcholines (PC) with chain lengths between 16 and 24 carbon atoms. The fluorescent dye MQAE (N-(ethoxycarbonylmethyl)-6-methoxyquinolinium bromide) served as an indicator for halide concentration inside the liposomes and was used to follow the kinetics of halide flux across the bilayer membranes. The observed permeability coefficients ranged from 10(-9) to 10(-7) cm/s and increased as the bilayer thickness was reduced. Bromide was found to permeate approximately six times faster than chloride through bilayers of identical thickness, and iodide permeated three to four times faster than bromide. The dependence of the halide permeability coefficients on bilayer thickness and on ionic size were consistent with permeation of hydrated ions by a solubility-diffusion mechanism rather than through transient pores. Halide permeation therefore differs from that of a monovalent cation such as potassium, which has been accounted for by a combination of the two mechanisms depending on bilayer thickness.

Fractal diffusion in high temperature polymer electrolyte fuel cell membranes

NASA Astrophysics Data System (ADS)

Hopfenmüller, Bernhard; Zorn, Reiner; Holderer, Olaf; Ivanova, Oxana; Lehnert, Werner; Lüke, Wiebke; Ehlers, Georg; Jalarvo, Niina; Schneider, Gerald J.; Monkenbusch, Michael; Richter, Dieter

2018-05-01

The performance of fuel cells depends largely on the proton diffusion in the proton conducting membrane, the core of a fuel cell. High temperature polymer electrolyte fuel cells are based on a polymer membrane swollen with phosphoric acid as the electrolyte, where proton conduction takes place. We studied the proton diffusion in such membranes with neutron scattering techniques which are especially sensitive to the proton contribution. Time of flight spectroscopy and backscattering spectroscopy have been combined to cover a broad dynamic range. In order to selectively observe the diffusion of protons potentially contributing to the ion conductivity, two samples were prepared, where in one of the samples the phosphoric acid was used with hydrogen replaced by deuterium. The scattering data from the two samples were subtracted in a suitable way after measurement. Thereby subdiffusive behavior of the proton diffusion has been observed and interpreted in terms of a model of fractal diffusion. For this purpose, a scattering function for fractal diffusion has been developed. The fractal diffusion dimension dw and the Hausdorff dimension df have been determined on the length scales covered in the neutron scattering experiments.

Silver-Ion-Exchanged Nanostructured Zeolite X as Antibacterial Agent with Superior Ion Release Kinetics and Efficacy against Methicillin-Resistant Staphylococcus aureus.

PubMed

Chen, Shaojiang; Popovich, John; Iannuzo, Natalie; Haydel, Shelley E; Seo, Dong-Kyun

2017-11-15

As antibiotic resistance continues to be a major public health problem, antimicrobial alternatives have become critically important. Nanostructured zeolites have been considered as an ideal host for improving popular antimicrobial silver-ion-exchanged zeolites, because with very short diffusion path lengths they offer advantages in ion diffusion and release over their conventional microsized zeolite counterparts. Herein, comprehensive studies are reported on materials characteristics, silver-ion release kinetics, and antibacterial properties of silver-ion-exchanged nanostructured zeolite X with comparisons to conventional microsized silver-ion-exchanged zeolite (∼2 μm) as a reference. The nanostructured zeolites are submicrometer-sized aggregates (100-700 nm) made up of primary zeolite particles with an average primary particle size of 24 nm. The silver-ion-exchanged nanostructured zeolite released twice the concentration of silver ions at a rate approximately three times faster than the reference. The material exhibited rapid antimicrobial activity against methicillin-resistant Staphylococcus aureus (MRSA) with minimum inhibitory concentration (MIC) values ranging from 4 to 16 μg/mL after 24 h exposure in various growth media and a minimum bactericidal concentration (MBC; >99.9% population reduction) of 1 μg/mL after 2 h in water. While high concentrations of silver-ion-exchanged nanostructured zeolite X were ineffective at reducing MRSA biofilm cell viability, efficacy increased at lower concentrations. In consideration of potential medical applications, cytotoxicity of the silver-ion-exchanged nanostructured zeolite X was also investigated. After 4 days of incubation, significant reduction in eukaryotic cell viability was observed only at concentrations 4-16-fold greater than the 24 h MIC, indicating low cytotoxicity of the material. Our results establish silver-ion-exchanged nanostructured zeolites as an effective antibacterial material against dangerous antibiotic-resistant bacteria.

Effect of sharp maximum in ion diffusivity for liquid xenon

NASA Astrophysics Data System (ADS)

Lankin, A. V.; Orekhov, M. A.

2016-11-01

Ion diffusion in a liquid usually could be treated as a movement of an ion cluster in a viscous media. For small ions this leads to a special feature: diffusion coefficient is either independent of the ion size or increases with it. We find a different behavior for small ions in liquid xenon. Calculation of the dependence of an ion diffusion coefficient in liquid xenon on the ion size is carried out. Classical molecular dynamics method is applied. Calculated dependence of the ion diffusion coefficient on its radius has sharp maximums at the ion radiuses 1.75 and 2 Å. Every maximum is placed between two regions with different stable ion cluster configurations. This leads to the instability of these configurations in a small region between them. Consequently ion with radius near 1.75 or 2 Å could jump from one configuration to another. This increases the speed of the diffusion. A simple qualitative model for this effect is suggested. The decomposition of the ion movement into continuous and jump diffusion shows that continuous part of the diffusion is the same as for the ion cluster in the stable region.

Nanorod Mobility within Entangled Wormlike Micelle Solutions

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

Lee, Jonghun; Grein-Iankovski, Aline; Narayanan, Suresh

In the semi-dilute regime, wormlike micelles form an isotropic entangled microstructure that is similar to that of an entangled polymer solution with a characteristic, nanometer-scale entanglement mesh size. We report a combined x-ray photon correlation spectroscopy (XPCS) and rheology study to investigate the translational dynamics of gold nanorods in semi-dilute solutions of entangled wormlike micelles formed by the surfactant cetylpyridinium chloride (CPyCl) and the counter-ion sodium salicylate (NaSal). The CPyCl concentration is varied to tune the entanglement mesh size over a range that spans from approximately equal to the nanorod diameter to larger than the nanorod length. The NaSal concentrationmore » is varied along with the CPyCl concentration so that the solutions have the maximum viscosity for given CPyCl concentration. On short time scales the nanorods are localized on a length scale matching that expected from the high-frequency elastic modulus of the solutions as long as the mesh size is smaller than the rod length. On longer time scales, the nanorods undergo free diffusion. At the highest CPyCl concentrations, the nanorod diffusivity approaches the value expected based on the macroscopic viscosity of the solutions, but it increases with decreasing CPyCl concentration more rapidly than expected from the macroscopic viscosity. A recent model by Cai et al. [Cai, L.-H.; Panyukov, S.; Rubinstein, M. Macromolecules 2015, 48, 847-862.] for nanoparticle “hopping” diffusion in entangled polymer solutions accounts quantitatively for this enhanced diffusivity.« less

Nanorod Mobility within Entangled Wormlike Micelle Solutions

DOE PAGES

Lee, Jonghun; Grein-Iankovski, Aline; Narayanan, Suresh; ...

2016-12-20

In the semi-dilute regime, wormlike micelles form an isotropic entangled microstructure that is similar to that of an entangled polymer solution with a characteristic, nanometer-scale entanglement mesh size. We report a combined x-ray photon correlation spectroscopy (XPCS) and rheology study to investigate the translational dynamics of gold nanorods in semi-dilute solutions of entangled wormlike micelles formed by the surfactant cetylpyridinium chloride (CPyCl) and the counter-ion sodium salicylate (NaSal). The CPyCl concentration is varied to tune the entanglement mesh size over a range that spans from approximately equal to the nanorod diameter to larger than the nanorod length. The NaSal concentrationmore » is varied along with the CPyCl concentration so that the solutions have the maximum viscosity for given CPyCl concentration. On short time scales the nanorods are localized on a length scale matching that expected from the high-frequency elastic modulus of the solutions as long as the mesh size is smaller than the rod length. On longer time scales, the nanorods undergo free diffusion. At the highest CPyCl concentrations, the nanorod diffusivity approaches the value expected based on the macroscopic viscosity of the solutions, but it increases with decreasing CPyCl concentration more rapidly than expected from the macroscopic viscosity. A recent model by Cai et al. [Cai, L.-H.; Panyukov, S.; Rubinstein, M. Macromolecules 2015, 48, 847-862.] for nanoparticle “hopping” diffusion in entangled polymer solutions accounts quantitatively for this enhanced diffusivity.« less

Self-energy-modified Poisson-Nernst-Planck equations: WKB approximation and finite-difference approaches.

PubMed

Xu, Zhenli; Ma, Manman; Liu, Pei

2014-07-01

We propose a modified Poisson-Nernst-Planck (PNP) model to investigate charge transport in electrolytes of inhomogeneous dielectric environment. The model includes the ionic polarization due to the dielectric inhomogeneity and the ion-ion correlation. This is achieved by the self energy of test ions through solving a generalized Debye-Hückel (DH) equation. We develop numerical methods for the system composed of the PNP and DH equations. Particularly, toward the numerical challenge of solving the high-dimensional DH equation, we developed an analytical WKB approximation and a numerical approach based on the selective inversion of sparse matrices. The model and numerical methods are validated by simulating the charge diffusion in electrolytes between two electrodes, for which effects of dielectrics and correlation are investigated by comparing the results with the prediction by the classical PNP theory. We find that, at the length scale of the interface separation comparable to the Bjerrum length, the results of the modified equations are significantly different from the classical PNP predictions mostly due to the dielectric effect. It is also shown that when the ion self energy is in weak or mediate strength, the WKB approximation presents a high accuracy, compared to precise finite-difference results.

(PCG) Protein Crystal Growth Horse Serum Albumin

NASA Technical Reports Server (NTRS)

1995-01-01

Horse Serum Albumin crystals grown during the USML-1 (STS-50) mission's Protein Crystal Growth Glovebox Experiment. These crystals were grown using a vapor diffusion technique at 22 degrees C. The crystals were allowed to grow for nine days while in orbit. Crystals of 1.0 mm in length were produced. The most abundant blood serum protein, regulates blood pressure and transports ions, metabolites, and therapeutic drugs. Principal Investigator was Edward Meehan.

Electro-diffusion in a plasma with two ion species

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

Kagan, Grigory; Tang Xianzhu

2012-08-15

Electric field is a thermodynamic force that can drive collisional inter-ion-species transport in a multicomponent plasma. In an inertial confinement fusion capsule, such transport causes fuel ion separation even with a target initially prepared to have equal number densities for the two fuel ion species. Unlike the baro-diffusion driven by ion pressure gradient and the thermo-diffusion driven by ion and electron temperature gradients, electro-diffusion has a critical dependence on the charge-to-mass ratio of the ion species. Specifically, it is shown here that electro-diffusion vanishes if the ion species have the same charge-to-mass ratio. An explicit expression for the electro-diffusion ratiomore » is obtained and used to investigate the relative importance of electro- and baro-diffusion mechanisms. In particular, it is found that electro-diffusion reinforces baro-diffusion in the deuterium and tritium mix, but tends to cancel it in the deuterium and helium-3 mix.« less

Development And Testing Of The Inertial Electrostatic Confinement Diffusion Thruster

NASA Technical Reports Server (NTRS)

Becnel, Mark D.; Polzin, Kurt A.

2013-01-01

The Inertial Electrostatic Confinement (IEC) diffusion thruster is an experiment in active development that takes advantage of physical phenomenon that occurs during operation of an IEC device. The IEC device has been proposed as a fusion reactor design that relies on traditional electrostatic ion acceleration and is typically arranged in a spherical geometry. The design incorporates two radially-symmetric spherical electrodes. Often the inner electrode utilizes a grid of wire shaped in a sphere with a radius 15 to 50 percent of the radius of the outer electrode. The inner electrode traditionally has 90 percent or more transparency to allow particles (ions) to pass to the center of the spheres and collide/recombine in the dense plasma core at r=0. When operating the IEC, an unsteady plasma leak is typically observed passing out one of the gaps in the lattice grid of the inner electrode. The IED diffusion thruster is based upon the idea that this plasma leak can be used for propulsive purposes. The IEC diffusion thruster utilizes the radial symmetry found in the IEC device. A cylindrical configuration is employed here as it will produce a dense core of plasma the length of the cylindrical grid while promoting the plasma leak to exhaust through an electromagnetic nozzle at one end of the apparatus. A proof-of-concept IEC diffusion thruster is operational and under testing using argon as propellant (Figure 1).

Screening of a dust particle charge in a humid air plasma created by an electron beam

NASA Astrophysics Data System (ADS)

Filippov, A. V.; Derbenev, I. N.; Kurkin, S. A.

2018-01-01

A kinetic model has been developed for charged particle reactions in a humid air plasma produced by a fast electron beam. The model includes over 550 reactions with electrons, 33 positive ion species and 14 negative ion species. The model has been tested by solving 48 non-steady state equations for number densities of charged particles in humid air electron beam plasma, and by comparing with the available experimental data. The system of 48 steady state equations has been solved by iterative method in order to define the main ion species of the humid air plasma. A reduced kinetic model has been developed to describe the processes with the main ions and electrons. Screening constants have been calculated on the basis of the reduced system by means of Leverrier-Fadeev method. The dependencies of screening constants on gas ionization rates have been found for the rates from 10 to 1018 cm-3s-1 and the fraction of water molecules from 0 to 2%. The analysis of the constants has revealed that one of them is close to the inverse Debye length, and the other constants are defined by the inverse diffusion lengths passed by ions in the characteristic times of the attachment, recombination, and ion conversion. Pure imaginary screening constants appear at low rates of gas ionization.

Influence of ion sterics on diffusiophoresis and electrophoresis in concentrated electrolytes

NASA Astrophysics Data System (ADS)

Stout, Robert F.; Khair, Aditya S.

2017-01-01

We quantify the diffusiophoresis and electrophoresis of a uniformly charged, spherical colloid in a binary electrolyte using modified Poisson-Nernst-Planck equations that account for steric repulsion between finite sized ions. Specifically, we utilize the Bikerman (Bik) lattice gas model and the Carnahan-Starling (CS) and Boublik-Mansoori-Carnahan-Starling-Leland (BMCSL) equations of state for monodisperse and polydisperse, respectively, hard spheres. We compute the phoretic mobility for weak applied fields using an asymptotic approach for thin diffuse layers, where ion steric effects are expected to be most prevalent. The thin diffuse layer limit requires λD/R →0 , where λD is the Debye screening length and R is the particle radius; this limit is readily attained for micron-sized colloids in concentrated electrolytic solutions. It is well known that the classic Poisson-Boltzmann (PB) model for pointlike, noninteracting ions leads to a prediction of a maximum in both the diffusiophoretic and electrophoretic mobilities with increasing particle zeta potential (at fixed λD/R ). In contrast, we find that ion sterics essentially eliminate this maximum (for reasonably attainable zeta potentials) and increase the mobility relative to PB. Next, we consider the more experimentally relevant case of a particle with a constant surface charge density and vary the electrolyte concentration, neglecting charge regulation on surface active sites. Rather surprisingly, there is little difference between the predictions of the four models (PB, Bik, CS, and BMCSL) for electrophoretic mobility in concentrated solutions, at reasonable surface charge densities (˜1 -10 μ C /cm2 ). This is because as the concentration increases, the zeta potential is reduced (to below the thermal voltage for concentrations above about 1 M) and therefore the diffuse layer structure is largely unaffected by ion sterics. For gradients of symmetric electrolytes (equal diffusivities, charge, and size) diffusiophoresis is also essentially unaffected by ion sterics, with a mobility that approaches zero with increasing concentration, just as in electrophoresis. For gradients of asymmetric electrolytes, the difference in diffusivities of the cation and anions leads to an induced electric field that acts on the charged particle. Importantly, we show that ion sterics leads to an excess contribution to the induced electric field, which increases rapidly with concentration. This increase overwhelms the accompanying decrease in zeta potential. The result is the diffusiophoretic mobility increases with concentration, rather than approaching zero. Therefore, diffusiophoresis could be an appealing alternative transport mechanism to electrophoresis in concentrated electrolyte solutions.

Diffuse-charge dynamics of ionic liquids in electrochemical systems.

PubMed

Zhao, Hui

2011-11-01

We employ a continuum theory of solvent-free ionic liquids accounting for both short-range electrostatic correlations and steric effects (finite ion size) [Bazant et al., Phys. Rev. Lett. 106, 046102 (2011)] to study the response of a model microelectrochemical cell to a step voltage. The model problem consists of a 1-1 symmetric ionic liquid between two parallel blocking electrodes, neglecting any transverse transport phenomena. Matched asymptotic expansions in the limit of thin double layers are applied to analyze the resulting one-dimensional equations and study the overall charge-time relation in the weakly nonlinear regime. One important conclusion is that our simple scaling analysis suggests that the length scale √(λ*(D)l*(c)) accurately characterizes the double-layer structure of ionic liquids with strong electrostatic correlations where l*(c) is the electrostatic correlation length (in contrast, the Debye screening length λ*(D) is the primary double-layer length for electrolytes) and the response time of λ(D)(*3/2)L*/(D*l(c)(1/2)) (not λ*(D)L*/D* that is the primary charging time of electrolytes) is the correct charging time scale of ionic liquids with strong electrostatic correlations where D* is the diffusivity and L* is the separation length of the cell. With these two new scales, data of both electric potential versus distance from the electrode and the total diffuse charge versus time collapse onto each individual master curve in the presence of strong electrostatic correlations. In addition, the dependance of the total diffuse charge on steric effects, short-range correlations, and driving voltages is thoroughly examined. The results from the asymptotic analysis are compared favorably with those from full numerical simulations. Finally, the absorption of excess salt by the double layer creates a depletion region outside the double layer. Such salt depletion may bring a correction to the leading order terms and break down the weakly nonlinear analysis. A criterion which justifies the weakly nonlinear analysis is verified with numerical simulations.

Length scale dependence of the dynamic properties of hyaluronic acid solutions in the presence of salt.

PubMed

Horkay, Ferenc; Falus, Peter; Hecht, Anne-Marie; Geissler, Erik

2010-12-02

In solutions of the charged semirigid biopolymer hyaluronic acid in salt-free conditions, the diffusion coefficient D(NSE) measured at high transfer momentum q by neutron spin echo is more than an order of magnitude smaller than that determined by dynamic light scattering, D(DLS). This behavior contrasts with neutral polymer solutions. With increasing salt content, D(DLS) approaches D(NSE), which is independent of ionic strength. Contrary to theoretical expectation, the ion-polymer coupling, which dominates the low q dynamics of polyelectrolyte solutions, already breaks down at distance scales greater than the Debye-Hückel length.

Size dependent behavior of Fe 3O 4 crystals during electrochemical (de)lithiation: an in situ X-ray diffraction, ex situ X-ray absorption spectroscopy, transmission electron microscopy and theoretical investigation

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

Bock, David C.; Pelliccione, Christopher J.; Zhang, Wei

Here, the iron oxide magnetite, Fe 3O 4, is a promising conversion type lithium ion battery anode material due to its high natural abundance, low cost and high theoretical capacity. While the close packing of ions in the inverse spinel structure of Fe 3O 4 enables high energy density, it also limits the kinetics of lithium ion diffusion in the material. Nanosizing of Fe 3O 4 to reduce the diffusion path length is an effective strategy for overcoming this issue and results in improved rate capability. However, the impact of nanosizing on the multiple structural transformations that occur during themore » electrochemical (de)lithiation reaction in Fe 3O 4 is poorly understood. In this study, the influence of crystallite size on the lithiation-conversion mechanisms in Fe 3O 4 is investigated using complementary X-ray techniques along with transmission electron microscopy (TEM) and continuum level simulations on electrodes of two different Fe 3O 4 crystallite sizes. In situ X-ray diffraction (XRD) measurements were utilized to track the changes to the crystalline phases during (de)lithiation. X-ray absorption spectroscopy (XAS) measurements at multiple points during the (de)lithiation processes provided local electronic and atomic structural information. Tracking the crystalline and nanocrystalline phases during the first (de)lithiation provides experimental evidence that (1) the lithiation mechanism is non-uniform and dependent on crystallite size, where increased Li + diffusion length in larger crystals results in conversion to Fe 0 metal while insertion of Li + into spinel-Fe 3O 4 is still occurring, and (2) the disorder and size of the Fe metal domains formed when either material is fully lithiated impacts the homogeneity of the FeO phase formed during the subsequent delithiation.« less

Size dependent behavior of Fe 3O 4 crystals during electrochemical (de)lithiation: an in situ X-ray diffraction, ex situ X-ray absorption spectroscopy, transmission electron microscopy and theoretical investigation

DOE PAGES

Bock, David C.; Pelliccione, Christopher J.; Zhang, Wei; ...

2017-07-17

Here, the iron oxide magnetite, Fe 3O 4, is a promising conversion type lithium ion battery anode material due to its high natural abundance, low cost and high theoretical capacity. While the close packing of ions in the inverse spinel structure of Fe 3O 4 enables high energy density, it also limits the kinetics of lithium ion diffusion in the material. Nanosizing of Fe 3O 4 to reduce the diffusion path length is an effective strategy for overcoming this issue and results in improved rate capability. However, the impact of nanosizing on the multiple structural transformations that occur during themore » electrochemical (de)lithiation reaction in Fe 3O 4 is poorly understood. In this study, the influence of crystallite size on the lithiation-conversion mechanisms in Fe 3O 4 is investigated using complementary X-ray techniques along with transmission electron microscopy (TEM) and continuum level simulations on electrodes of two different Fe 3O 4 crystallite sizes. In situ X-ray diffraction (XRD) measurements were utilized to track the changes to the crystalline phases during (de)lithiation. X-ray absorption spectroscopy (XAS) measurements at multiple points during the (de)lithiation processes provided local electronic and atomic structural information. Tracking the crystalline and nanocrystalline phases during the first (de)lithiation provides experimental evidence that (1) the lithiation mechanism is non-uniform and dependent on crystallite size, where increased Li + diffusion length in larger crystals results in conversion to Fe 0 metal while insertion of Li + into spinel-Fe 3O 4 is still occurring, and (2) the disorder and size of the Fe metal domains formed when either material is fully lithiated impacts the homogeneity of the FeO phase formed during the subsequent delithiation.« less

Spatial dimensions of the electron diffusion region in anti-parallel magnetic reconnection

NASA Astrophysics Data System (ADS)

Nakamura, Takuma; Nakamura, Rumi; Haseagwa, Hiroshi

2016-03-01

Spatial dimensions of the detailed structures of the electron diffusion region in anti-parallel magnetic reconnection were analyzed based on two-dimensional fully kinetic particle-in-cell simulations. The electron diffusion region in this study is defined as the region where the positive reconnection electric field is sustained by the electron inertial and non-gyrotropic pressure components. Past kinetic studies demonstrated that the dimensions of the whole electron diffusion region and the inner non-gyrotropic region are scaled by the electron inertial length de and the width of the electron meandering motion, respectively. In this study, we successfully obtained more precise scalings of the dimensions of these two regions than the previous studies by performing simulations with sufficiently small grid spacing (1/16-1/8 de) and a sufficient number of particles (800 particles cell-1 on average) under different conditions changing the ion-to-electron mass ratio, the background density and the electron βe (temperature). The obtained scalings are adequately supported by some theories considering spatial variations of field and plasma parameters within the diffusion region. In the reconnection inflow direction, the dimensions of both regions are proportional to de based on the background density. Both dimensions also depend on βe based on the background values, but the dependence in the inner region ( ˜ 0.375th power) is larger than the whole region (0.125th power) reflecting the orbits of meandering and accelerated electrons within the inner region. In the outflow direction, almost only the non-gyrotropic component sustains the positive reconnection electric field. The dimension of this single-scale diffusion region is proportional to the ion-electron hybrid inertial length (dide)1/2 based on the background density and weakly depends on the background βe with the 0.25th power. These firm scalings allow us to predict observable dimensions in real space which are indeed in reasonable agreement with past in situ spacecraft observations in the Earth's magnetotail and have important implications for future observations with higher resolutions such as the NASA Magnetospheric Multiscale (MMS) mission.

Fast self-diffusion of ions in CH 3 NH 3 PbI 3 : the interstiticaly mechanism versus vacancy-assisted mechanism

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

Yang, Ji-Hui; Yin, Wan-Jian; Park, Ji-Sang

2016-01-01

The stability of organic-inorganic halide perovskites is a major challenge for their applications and has been extensively studied. Among the possible underlying reasons, ion self-diffusion has been inferred to play important roles. While theoretical studies congruously support that iodine is more mobile, experimental studies only observe the direct diffusion of the MA ion and possible diffusion of iodine. The discrepancy may result from the incomplete understanding of ion diffusion mechanisms. With the help of first-principles calculations, we studied ion diffusion in CH3NH3PbI3 (MAPbI3) through not only the vacancy-assisted mechanisms presumed in previous theoretical studies, but also the neglected interstiticaly mechanisms.more » We found that compared to the diffusion through the vacancy-assisted mechanism, MA ion diffusion through the interstiticaly mechanism has a much smaller barrier which could explain experimental observations. For iodine diffusion, both mechanisms can yield relatively small barriers. Depending on the growth conditions, defect densities of vacancies and interstitials can vary and so do the diffusion species as well as diffusion mechanisms. Our work thus supports that both MA and iodine ion diffusion could contribute to the performance instability of MAPbI3. While being congruous with experimental results, our work fills the research gap by providing a full understanding of ion diffusion in halide perovskites.« less

Determination of the diffusion coefficient of hydrogen ion in hydrogels.

PubMed

Schuszter, Gábor; Gehér-Herczegh, Tünde; Szűcs, Árpád; Tóth, Ágota; Horváth, Dezső

2017-05-17

The role of diffusion in chemical pattern formation has been widely studied due to the great diversity of patterns emerging in reaction-diffusion systems, particularly in H + -autocatalytic reactions where hydrogels are applied to avoid convection. A custom-made conductometric cell is designed to measure the effective diffusion coefficient of a pair of strong electrolytes containing sodium ions or hydrogen ions with a common anion. This together with the individual diffusion coefficient for sodium ions, obtained from PFGSE-NMR spectroscopy, allows the determination of the diffusion coefficient of hydrogen ions in hydrogels. Numerical calculations are also performed to study the behavior of a diffusion-migration model describing ionic diffusion in our system. The method we present for one particular case may be extended for various hydrogels and diffusing ions (such as hydroxide) which are relevant e.g. for the development of pH-regulated self-healing mechanisms and hydrogels used for drug delivery.

Ion-beam treatment to prepare surfaces of p-CdTe films

DOEpatents

Gessert, Timothy A.

2001-01-01

A method of making a low-resistance electrical contact between a p-CdTe layer and outer contact layers by ion beam processing comprising: a) placing a CdS/CdTe device into a chamber and evacuating the chamber; b) orienting the p-CdTe side of the CdS/CdTe layer so that it faces apparatus capable of generating Ar atoms and ions of preferred energy and directionality; c) introducing Ar and igniting the area of apparatus capable of generating Ar atoms and ions of preferred energy and directionality in a manner so that during ion exposure, the source-to-substrate distance is maintained such that it is less than the mean-free path or diffusion length of the Ar atoms and ions at the vacuum pressure; d) allowing exposure of the p-CdTe side of the device to said ion beam for a period less than about 5 minutes; and e) imparting movement to the substrate to control the real uniformity of the ion-beam exposure on the p-CdTe side of the device.

Electrochemical evidences and consequences of significant differences in ions diffusion rate in polyacrylate-based ion-selective membranes.

PubMed

Woźnica, Emilia; Mieczkowski, Józef; Michalska, Agata

2011-11-21

The origin and effect of surface accumulation of primary ions within the ion-selective poly(n-butyl acrylate)-based membrane, obtained by thermal polymerization, is discussed. Using a new method, based on the relation between the shape of a potentiometric plot and preconditioning time, the diffusion of copper ions in the membrane was found to be slow (the diffusion coefficient estimated to be close to 10(-11) cm(2) s(-1)), especially when compared to ion-exchanger counter ions--sodium cations diffusion (a diffusion coefficient above 10(-9) cm(2) s(-1)). The higher mobility of sodium ions than those of the copper-ionophore complex results in exposed ion-exchanger role leading to undesirably exposed sensitivity to sodium or potassium ions.

Thoron, radon and air ions spatial distribution in indoor air.

PubMed

Kolarž, Predrag; Vaupotič, Janja; Kobal, Ivan; Ujić, Predrag; Stojanovska, Zdenka; Žunić, Zora S

2017-07-01

Spatial distribution of radioactive gasses thoron (Tn) and radon (Rn) in indoor air of 9 houses mostly during winter period of 2013 has been studied. According to properties of alpha decay of both elements, air ionization was also measured. Simultaneous continual measurements using three Rn/Tn and three air-ion active instruments deployed on to three different distances from the wall surface have shown various outcomes. It has turned out that Tn and air ions concentrations decrease with the distance increase, while Rn remained uniformly distributed. Exponential fittings function for Tn variation with distance was used for the diffusion length and constant as well as the exhalation rate determination. The obtained values were similar with experimental data reported in the literature. Concentrations of air ions were found to be in relation with Rn and obvious, but to a lesser extent, with Tn. Copyright © 2016 Elsevier Ltd. All rights reserved.

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

Fractal diffusion in high temperature polymer electrolyte fuel cell membranes

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

Hopfenmuller, Bernhard; Zorn, Reiner; Holderer, Olaf

In this paper, the performance of fuel cells depends largely on the proton diffusion in the proton conducting membrane, the core of a fuel cell. High temperature polymer electrolyte fuel cells are based on a polymer membrane swollen with phosphoric acid as the electrolyte, where proton conduction takes place. We studied the proton diffusion in such membranes with neutron scattering techniques which are especially sensitive to the proton contribution. Time of flight spectroscopy and backscattering spectroscopy have been combined to cover a broad dynamic range. In order to selectively observe the diffusion of protons potentially contributing to the ion conductivity,more » two samples were prepared, where in one of the samples the phosphoric acid was used with hydrogen replaced by deuterium. The scattering data from the two samples were subtracted in a suitable way after measurement. Thereby subdiffusive behavior of the proton diffusion has been observed and interpreted in terms of a model of fractal diffusion. For this purpose, a scattering function for fractal diffusion has been developed. The fractal diffusion dimension d w and the Hausdorff dimension d f have been determined on the length scales covered in the neutron scattering experiments.« less

A first-principles and experimental study of helium diffusion in periclase MgO

NASA Astrophysics Data System (ADS)

Song, Zhewen; Wu, Henry; Shu, Shipeng; Krawczynski, Mike; Van Orman, James; Cherniak, Daniele J.; Bruce Watson, E.; Mukhopadhyay, Sujoy; Morgan, Dane

2018-02-01

The distribution of He isotopes is used to trace heterogeneities in the Earth's mantle, and is particularly useful for constraining the length scale of heterogeneity due to the generally rapid diffusivity of helium. However, such an analysis is challenging because He diffusivities are largely unknown in lower mantle phases, which can influence the He profiles in regions that cycle through the lower mantle. With this motivation, we have used first-principles simulations based on density functional theory to study He diffusion in MgO, an important lower mantle phase. We first studied the case of interstitial helium diffusion in perfect MgO and found a migration barrier of 0.73 eV at zero pressure. Then we used the kinetic Monte Carlo method to study the case of substitutional He diffusion in MgO, where we assumed that He diffuses on the cation sublattice through cation vacancies. We also performed experiments on He diffusion at atmospheric pressure using ion implantation and nuclear reaction analysis in both as-received and Ga-doped samples. A comparison between the experimental and simulation results are shown. This work provides a foundation for further studies at high-pressure.

Fractal diffusion in high temperature polymer electrolyte fuel cell membranes

DOE PAGES

Hopfenmuller, Bernhard; Zorn, Reiner; Holderer, Olaf; ...

2018-05-29

In this paper, the performance of fuel cells depends largely on the proton diffusion in the proton conducting membrane, the core of a fuel cell. High temperature polymer electrolyte fuel cells are based on a polymer membrane swollen with phosphoric acid as the electrolyte, where proton conduction takes place. We studied the proton diffusion in such membranes with neutron scattering techniques which are especially sensitive to the proton contribution. Time of flight spectroscopy and backscattering spectroscopy have been combined to cover a broad dynamic range. In order to selectively observe the diffusion of protons potentially contributing to the ion conductivity,more » two samples were prepared, where in one of the samples the phosphoric acid was used with hydrogen replaced by deuterium. The scattering data from the two samples were subtracted in a suitable way after measurement. Thereby subdiffusive behavior of the proton diffusion has been observed and interpreted in terms of a model of fractal diffusion. For this purpose, a scattering function for fractal diffusion has been developed. The fractal diffusion dimension d w and the Hausdorff dimension d f have been determined on the length scales covered in the neutron scattering experiments.« less

Ionic liquids behave as dilute electrolyte solutions

PubMed Central

Gebbie, Matthew A.; Valtiner, Markus; Banquy, Xavier; Fox, Eric T.; Henderson, Wesley A.; Israelachvili, Jacob N.

2013-01-01

We combine direct surface force measurements with thermodynamic arguments to demonstrate that pure ionic liquids are expected to behave as dilute weak electrolyte solutions, with typical effective dissociated ion concentrations of less than 0.1% at room temperature. We performed equilibrium force–distance measurements across the common ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([C4mim][NTf2]) using a surface forces apparatus with in situ electrochemical control and quantitatively modeled these measurements using the van der Waals and electrostatic double-layer forces of the Derjaguin–Landau–Verwey–Overbeek theory with an additive repulsive steric (entropic) ion–surface binding force. Our results indicate that ionic liquids screen charged surfaces through the formation of both bound (Stern) and diffuse electric double layers, where the diffuse double layer is comprised of effectively dissociated ionic liquid ions. Additionally, we used the energetics of thermally dissociating ions in a dielectric medium to quantitatively predict the equilibrium for the effective dissociation reaction of [C4mim][NTf2] ions, in excellent agreement with the measured Debye length. Our results clearly demonstrate that, outside of the bound double layer, most of the ions in [C4mim][NTf2] are not effectively dissociated and thus do not contribute to electrostatic screening. We also provide a general, molecular-scale framework for designing ionic liquids with significantly increased dissociated charge densities via judiciously balancing ion pair interactions with bulk dielectric properties. Our results clear up several inconsistencies that have hampered scientific progress in this important area and guide the rational design of unique, high–free-ion density ionic liquids and ionic liquid blends. PMID:23716690

Method for making defect-free zone by laser-annealing of doped silicon

DOEpatents

Narayan, Jagdish; White, Clark W.; Young, Rosa T.

1980-01-01

This invention is a method for improving the electrical properties of silicon semiconductor material. The method comprises irradiating a selected surface layer of the semiconductor material with high-power laser pulses characterized by a special combination of wavelength, energy level, and duration. The combination effects melting of the layer without degrading electrical properties, such as minority-carrier diffusion length. The method is applicable to improving the electrical properties of n- and p-type silicon which is to be doped to form an electrical junction therein. Another important application of the method is the virtually complete removal of doping-induced defects from ion-implanted or diffusion-doped silicon substrates.

CoMn2O4 Spinel Hierarchical Microspheres Assembled with Porous Nanosheets as Stable Anodes for Lithium-ion Batteries

PubMed Central

Hu, Lin; Zhong, Hao; Zheng, Xinrui; Huang, Yimin; Zhang, Ping; Chen, Qianwang

2012-01-01

Herein, we report the feasibility to enhance the capacity and stability of CoMn2O4 anode materials by fabricating hierarchical mesoporous structure. The open space between neighboring nanosheets allows for easy diffusion of the electrolyte. The hierarchical microspheres assembled with nanosheets can ensure that every nanosheet participates in the electrochemical reaction, because every nanosheet is contacted with the electrolyte solution. The hierarchical structure and well interconnected pores on the surface of nanosheets will enhance the CoMn2O4/electrolyte contact area, shorten the Li+ ion diffusion length in the nanosheets, and accommodate the strain induced by the volume change during the electrochemical reaction. The last, hierarchical architecture with spherical morphology possesses relatively low surface energy, which results in less extent of self-aggregation during charge/discharge process. As a result, CoMn2O4 hierarchical microspheres can achieve a good cycle ability and high rate capability. PMID:23248749

Rational material design for ultrafast rechargeable lithium-ion batteries.

PubMed

Tang, Yuxin; Zhang, Yanyan; Li, Wenlong; Ma, Bing; Chen, Xiaodong

2015-10-07

Rechargeable lithium-ion batteries (LIBs) are important electrochemical energy storage devices for consumer electronics and emerging electrical/hybrid vehicles. However, one of the formidable challenges is to develop ultrafast charging LIBs with the rate capability at least one order of magnitude (>10 C) higher than that of the currently commercialized LIBs. This tutorial review presents the state-of-the-art developments in ultrafast charging LIBs by the rational design of materials. First of all, fundamental electrochemistry and related ionic/electronic conduction theories identify that the rate capability of LIBs is kinetically limited by the sluggish solid-state diffusion process in electrode materials. Then, several aspects of the intrinsic materials, materials engineering and processing, and electrode materials architecture design towards maximizing both ionic and electronic conductivity in the electrode with a short diffusion length are deliberated. Finally, the future trends and perspectives for the ultrafast rechargeable LIBs are discussed. Continuous rapid progress in this area is essential and urgent to endow LIBs with ultrafast charging capability to meet huge demands in the near future.

Interdiffusion in a ? superlattice: an exploratory nuclear magnetic resonance study

NASA Astrophysics Data System (ADS)

Li, Y.; Ross, J. W.; McCausland, M. A. H.; Bunbury, D. St. P.; Ward, R. C. C.; Wells, M. R.

1997-07-01

We have carried out an exploratory NMR study of interdiffusion at interfaces between epitaxially grown laminae of rare-earth metals. The system investigated was a terbium - yttrium superlattice grown by molecular-beam epitaxy at 0953-8984/9/29/015/img10. The NMR spectrum of 0953-8984/9/29/015/img11 shows satellites associated with Tb ions with different numbers of Y neighbours and therefore provides information about the yttrium concentration profile resulting from interdiffusion. Our data are interpreted in terms of a model based on thermally activated diffusion and which allows for the progressive decrease in 0953-8984/9/29/015/img12, the RMS diffusion length, from the lowest to the highest interface. The diffusion coefficient, provisionally assumed to be independent of composition, is found to be 0953-8984/9/29/015/img13 at the growth temperature.

The influence of polarizability and charge transfer on specific ion effects in the dynamics of aqueous salt solutions

NASA Astrophysics Data System (ADS)

Nguyen, Mary; Rick, Steven W.

2018-06-01

The diffusion rates for water molecules in salt solutions depend on the identity of the ions, as well as their concentration. Among the alkali metal ions, cesium and potassium increase and sodium strongly decreases the diffusion constant of water. The origin of the difference can be understood by examining the simulation results using different potential models. In this work, aqueous solutions of salts are simulated with a variety of models. Commonly used non-polarizable models, which otherwise reproduce many experimental properties, do not capture the trend in the diffusion constant, while models which include polarization and/or charge transfer interactions do. For the non-polarizable models, the diffusion constant decreases too strongly with salt concentration. The changes in the water diffusion constant with increasing salt concentration match the diffusion constant of the ion. The ion diffusion constant is dependent on the residence time for water in the ion solvation shell. The non-polarizable models over-estimate the residence time, relative to the translational diffusion constant and so tend to under-estimate the ion and water diffusion constants.

Ion Diffusivity through the Solid Electrolyte Interphase in Lithium-Ion Batteries

DOE PAGES

Benitez, Laura; Seminario, Jorge M.

2017-05-17

Understanding the transport properties of the solid electrolyte interface (SEI) is a critical piece in the development of lithium ion batteries (LIB) with better performance. We studied the lithium ion diffusivity in the main components of the SEI found in LIB with silicon anodes and performed classical molecular dynamics (MD) simulations on lithium fluoride (LiF), lithium oxide (Li 2O) and lithium carbonate (Li 2CO 3) in order to provide insights and to calculate the diffusion coefficients of Li-ions at temperatures in the range of 250 K to 400 K, which is within the LIB operating temperature range. We find amore » slight increase in the diffusivity as the temperature increases and since diffusion is noticeable at high temperatures, Li-ion diffusion in the range of 130 to 1800 K was also studied and the diffusion mechanisms involved in each SEI compound were analyzed. We observed that the predominant mechanisms of Li-ion diffusion included vacancy assisted and knock-off diffusion in LiF, direct exchange in Li 2O, and vacancy and knock-off in Li 2CO 3. Moreover, we also evaluated the effect of applied electric fields in the diffusion of Li-ions at room temperature.« less

Ion Diffusivity through the Solid Electrolyte Interphase in Lithium-Ion Batteries

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

Benitez, Laura; Seminario, Jorge M.

Understanding the transport properties of the solid electrolyte interface (SEI) is a critical piece in the development of lithium ion batteries (LIB) with better performance. We studied the lithium ion diffusivity in the main components of the SEI found in LIB with silicon anodes and performed classical molecular dynamics (MD) simulations on lithium fluoride (LiF), lithium oxide (Li 2O) and lithium carbonate (Li 2CO 3) in order to provide insights and to calculate the diffusion coefficients of Li-ions at temperatures in the range of 250 K to 400 K, which is within the LIB operating temperature range. We find amore » slight increase in the diffusivity as the temperature increases and since diffusion is noticeable at high temperatures, Li-ion diffusion in the range of 130 to 1800 K was also studied and the diffusion mechanisms involved in each SEI compound were analyzed. We observed that the predominant mechanisms of Li-ion diffusion included vacancy assisted and knock-off diffusion in LiF, direct exchange in Li 2O, and vacancy and knock-off in Li 2CO 3. Moreover, we also evaluated the effect of applied electric fields in the diffusion of Li-ions at room temperature.« less

The mobility and diffusion of ions in gases

NASA Technical Reports Server (NTRS)

Mcdaniel, E. W.; Mason, E. A.

1973-01-01

Experimental and theoretical aspects of the mobility and diffusion of ions in gases are studied in detail. Some of the subjects discussed include ion-ion interaction, boundary condition and ion and electron behavior. Also discussed in separate chapters are the problems of the diffusion coefficients and the afterglow techniques. Finally, a special chapter studies the kinetic theory of diffusion and mobility, stressing the low-, medium- and high-field theory.

Importance of Diffuse Metal Ion Binding to RNA

PubMed Central

Tan, Zhi-Jie; Chen, Shi-Jie

2016-01-01

RNAs are highly charged polyanionic molecules. RNA structure and function are strongly correlated with the ionic condition of the solution. The primary focus of this article is on the role of diffusive ions in RNA folding. Due to the long-range nature of electrostatic interactions, the diffuse ions can contribute significantly to RNA structural stability and folding kinetics. We present an overview of the experimental findings as well as the theoretical developments on the diffuse ion effects in RNA folding. This review places heavy emphasis on the effect of magnesium ions. Magnesium ions play a highly efficient role in stabilizing RNA tertiary structures and promoting tertiary structural folding. The highly efficient role goes beyond the mean-field effect such as the ionic strength. In addition to the effects of specific ion binding and ion dehydration, ion-ion correlation for the diffuse ions can contribute to the efficient role of the multivalent ions such as the magnesium ions in RNA folding. PMID:22010269

Importance of diffuse metal ion binding to RNA.

PubMed

Tan, Zhi-Jie; Chen, Shi-Jie

2011-01-01

RNAs are highly charged polyanionic molecules. RNA structure and function are strongly correlated with the ionic condition of the solution. The primary focus of this article is on the role of diffusive ions in RNA folding. Due to the long-range nature of electrostatic interactions, the diffuse ions can contribute significantly to RNA structural stability and folding kinetics. We present an overview of the experimental findings as well as the theoretical developments on the diffuse ion effects in RNA folding. This review places heavy emphasis on the effect of magnesium ions. Magnesium ions play a highly efficient role in stabilizing RNA tertiary structures and promoting tertiary structural folding. The highly efficient role goes beyond the mean-field effect such as the ionic strength. In addition to the effects of specific ion binding and ion dehydration, ion-ion correlation for the diffuse ions can contribute to the efficient role of the multivalent ions such as the magnesium ions in RNA folding.

Direct measurements of classical and enhanced gradient-aligned cross-field ion flows in a helicon plasma source using laser-induced fluorescence

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

Siddiqui, M. Umair, E-mail: musiddiqui@mail.wvu.edu; Thompson, Derek S.; McIlvain, Julianne M.

2015-12-15

Direct laser induced fluorescence measurements are shown of cross-field ion flows normal to an absorbing boundary that is aligned parallel to the axial magnetic field in a helicon plasma. We show Langmuir and emissive probe measurements of local density and plasma potential in the same region, as well as floating probe spectra near the boundary. With these measurements, we investigate the influence of ion-neutral collisionality on radial ion transport by varying the ratio of the ion gyro-radius, ρ{sub i}, to the ion-neutral collision length, λ, over the range 0.34 ≤ ρ{sub i}λ{sup −1} ≤ 1.60. Classical drift-diffusion transport along density and potential gradients ismore » sufficient to describe flow profiles for most cases. For two parameter regimes (ρ{sub i}λ{sup −1} = 0.65 and 0.44), low-frequency electrostatic fluctuations (f < 10 kHz) and enhanced cross-field bulk ion flow to the boundary are observed.« less

Crystal surface integrity and diffusion measurements on Earth and planetary materials

NASA Astrophysics Data System (ADS)

Watson, E. B.; Cherniak, D. J.; Thomas, J. B.; Hanchar, J. M.; Wirth, R.

2016-09-01

Characterization of diffusion behavior in minerals is key to providing quantitative constraints on the ages and thermal histories of Earth and planetary materials. Laboratory experiments are a vital source of the needed diffusion measurements, but these can pose challenges because the length scales of diffusion achievable in a laboratory time are commonly less than 1 μm. An effective strategy for dealing with this challenge is to conduct experiments involving inward diffusion of the element of interest from a surface source, followed by quantification of the resulting diffusive-uptake profile using a high-resolution depth-profiling technique such as Rutherford backscattering spectroscopy (RBS), nuclear reaction analysis (NRA), or ion microprobe (SIMS). The value of data from such experiments is crucially dependent on the assumption that diffusion in the near-surface of the sample is representative of diffusion in the bulk material. Historical arguments suggest that the very process of preparing a polished surface for diffusion studies introduces defects-in the form of dislocations and cracks-in the outermost micrometer of the sample that make this region fundamentally different from the bulk crystal in terms of its diffusion properties. Extensive indirect evidence suggests that, in fact, the near-surface region of carefully prepared samples is no different from the bulk crystal in terms of its diffusion properties. A direct confirmation of this conclusion is nevertheless clearly important. Here we use transmission electron microscopy to confirm that the near-surface regions of olivine, quartz and feldspar crystals prepared using careful polishing protocols contain no features that could plausibly affect diffusion. This finding does not preclude damage to the mineral structure from other techniques used in diffusion studies (e.g., ion implantation), but even in this case the role of possible structural damage can be objectively assessed and controlled. While all evidence points to the reliability of diffusivities obtained from in-diffusion experiments, we do not recommend experiments of this type using a powder source as a means of obtaining diffusant solubility or partitioning information for the mineral of interest.

The aerodynamics of bodies in a rarefied ionized gas with applications to spacecraft environmental dynamics

NASA Technical Reports Server (NTRS)

Stone, N. H.

1981-01-01

The objectives are to provide a parametric description of the electrostatic interaction of a mesosonic, collisionless plasma with conducting bodies on the order of 1 to 10 Debye lengths in size, and to extend this description to the satellite-ionospheric interaction, where possible. Experimental findings include: the wake of the geometrically complex body appears to be a linear superposition of the wakes of its simple geometric components; and vector ion flux measurements show converging ion streams at the wake axis and direct evidence of ion streams deflected from the wake axis by the positive space charge potential associated with the axial ion peak. The extension to the satellite-ionospheric interaction utilizes qualitative scaling and indicates that similar, but smaller amplitude, wake structures may be expected for small or highly charged bodies. However, for large bodies at small potentials, the structure may be diffused by the thermal ion motion and the dispersion resulting for space charge potentials.

Binder-free Si nanoparticle electrode with 3D porous structure prepared by electrophoretic deposition for lithium-ion batteries.

PubMed

Yang, Yang; Chen, Dingqiong; Liu, Bo; Zhao, Jinbao

2015-04-15

A binder-free silicon (Si) based electrode for lithium-ion battery was fabricated in an organic solvent through one-step electrophoretic deposition (EPD). The nanosized Si and acetylene black (AB) particles were bonded tightly together to form a homogeneous co-deposited film with 3D porous structure through the EPD process. The 3D porous structure provides buffer spaces to alleviate the mechanical stress due to silicon volume change during the cycling and improves lithium-ion conductivity by shortening ion diffusion length and better ion conducting pathway. The electrode prepared with 5 s deposition duration shows the best cycling performance among electrodes fabricated by EPD method, and thus, it was selected to be compared with the silicon electrode prepared by the conventional method. Our results demonstrate that the Si nanoparticle electrode prepared through EPD exhibits smaller cycling capacity decay rate and better rate capability than the electrode prepared by the conventional method.

Search for selective ion diffusion through membranes

NASA Technical Reports Server (NTRS)

May, C. E.; Philipp, W. H.

1983-01-01

The diffusion rates of several ions through some membranes developed as battery separators were measured. The ions investigated were Li(+), Rb(+), Cl(-), and So4. The members were crosslinked polyvinyl alcohol, crosslinked polyacrylic acid, a copolymer of the two, crosslinked calcium polyacrylate, cellulose, and several microporous polyphenylene oxide based films. No true specificity for diffusion of any of these ions was found for any of the membranes. But the calcium polyacrylate membrane was found to exhibit ion exchange with the diffusing ions giving rise to the leaching of the calcium ion and low reproducibility. These findings contrast earlier work where the calcium polyacrylate membrane did show specificity to the diffusion of the copper ion. In general, Fick's law appeared to be obeyed. Except for the microporous membranes, the coefficients for ion diffusion through the membranes were comparable with their values in water. For the microporous membranes, the values found for the coefficients were much less, due to the tortuosity of the micropores.

Characteristic length scale dependence on conductivity for La2-xErxMo2O9 (0.05 ≤ x ≤ 0.3) oxide ion conductors

NASA Astrophysics Data System (ADS)

Paul, T.; Ghosh, A.

2016-05-01

Structural property of polycrystalline La2-xErxMo2O9 has been investigated. Rietveld refinements at room temperature of the materials suggest a single phase nature with cubic symmetry (space group P213). The electron density contour plot confirms the nature of different cation-oxygen bonds. Time dependent mean square displacement (√) and the spatial extent of the sub-diffusive motion (√) are evaluated using the linear response theory. The localized hop at O2 and O3 sites is found to be favorable for oxygen ion migration for these systems.

Effect of charged amino acid side chain length on lateral cross-strand interactions between carboxylate- and guanidinium-containing residues in a β-hairpin.

PubMed

Kuo, Hsiou-Ting; Liu, Shing-Lung; Chiu, Wen-Chieh; Fang, Chun-Jen; Chang, Hsien-Chen; Wang, Wei-Ren; Yang, Po-An; Li, Jhe-Hao; Huang, Shing-Jong; Huang, Shou-Ling; Cheng, Richard P

2015-05-01

β-Sheet is one of the major protein secondary structures. Oppositely charged residues are frequently observed across neighboring strands in antiparallel sheets, suggesting the importance of cross-strand ion pairing interactions. The charged amino acids Asp, Glu, Arg, and Lys have different numbers of hydrophobic methylenes linking the charged functionality to the backbone. To investigate the effect of side chain length of guanidinium- and carboxylate-containing residues on lateral cross-strand ion pairing interactions at non-hydrogen-bonded positions, β-hairpin peptides containing Zbb-Agx (Zbb = Asp, Glu, Aad in increasing length; Agx = Agh, Arg, Agb, Agp in decreasing length) sequence patterns were studied by NMR methods. The fraction folded population and folding energy were derived from the chemical shift deviation data. Peptides with high fraction folded populations involved charged residue side chain lengths that supported high strand propensity. Double mutant cycle analysis was used to determine the interaction energy for the potential lateral ion pairs. Minimal interaction was observed between residues with short side chains, most likely due to the diffused positive charge on the guanidinium group, which weakened cross-strand electrostatic interactions with the carboxylate side chain. Only the Aad-Arg/Agh interactions with long side chains clearly exhibited stabilizing energetics, possibly relying on hydrophobics. A survey of a non-redundant protein structure database revealed that the statistical sheet pair propensity followed the trend Asp-Arg < Glu-Arg, implying the need for matching long side chains. This suggested the need for long side chains on both guanidinium-bearing and carboxylate-bearing residues to stabilize the β-hairpin motif.

Sodium ion diffusion in Al2O3: a distinct perspective compared with lithium ion diffusion.

PubMed

Jung, Sung Chul; Kim, Hyung-Jin; Choi, Jang Wook; Han, Young-Kyu

2014-11-12

Surface coating of active materials has been one of the most effective strategies to mitigate undesirable side reactions and thereby improve the overall battery performance. In this direction, aluminum oxide (Al2O3) is one of the most widely adopted coating materials due to its easy synthesis and low material cost. Nevertheless, the effect of Al2O3 coating on carrier ion diffusion has been investigated mainly for Li ion batteries, and the corresponding understanding for emerging Na ion batteries is currently missing. Using ab initio molecular dynamics calculations, herein, we first find that, unlike lithiation, sodiation of Al2O3 is thermodynamically unfavorable. Nonetheless, there can still exist a threshold in the Na ion content in Al2O3 before further diffusion into the adjacent active material, delivering a new insight that both thermodynamics and kinetics should be taken into account to describe ionic diffusion in any material media. Furthermore, Na ion diffusivity in NaxAl2O3 turns out to be much higher than Li ion diffusivity in LixAl2O3, a result opposite to the conventional stereotype based on the atomic radius consideration. While hopping between the O-rich trapping sites via an Na-O bond breaking/making process is identified as the main Na ion diffusion mechanism, the weaker Na-O bond strength than the Li-O counterpart turns out to be the origin of the superior diffusivity of Na ions.

Molecular Dynamics Simulation of Salt Diffusion in Polyelectrolyte Assemblies.

PubMed

Zhang, Ran; Duan, Xiaozheng; Ding, Mingming; Shi, Tongfei

2018-06-05

The diffusion of salt ions and charged probe molecules in polyelectrolyte assemblies is often assumed to follow a theoretical hopping model, in which the diffusing ion is hopping between charged sites of chains based on electroneutrality. However, experimental verification of diffusing pathway at such microscales is difficult, and the corresponding molecular mechanisms remain elusive. In this study, we perform all-atom molecular dynamics (MD) simulations of salt diffusion in polyelectrolyte (PE) assembly of poly (sodium 4-styrenesulfonate) (PSS) and poly (diallyldimethylammonium chloride) (PDAC). Besides the ion hopping mode, the diffusing trajectories are found presenting common features of a jump process, i.e., subjecting to PE relaxation, water pockets in the structure open and close, thus the ion can move from one pocket to another. Anomalous subdiffusion of ions and water is observed due to the trapping scenarios in these water pockets. The jump events are much rarer compared with ion hopping but significantly increases salt diffusion with increasing temperature. Our result strongly indicates that salt diffusion in hydrated PDAC/PSS is a combined process of ion hopping and jump motion. This provides new molecular explanation for the coupling of salt motion with chain motion and the nonlinear increase of salt diffusion at glass transition temperature.

Influence of crystal orientation and ion bombardment on the nitrogen diffusivity in single-crystalline austenitic stainless steel

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

Martinavicius, A.; Abrasonis, G.; Moeller, W.

2011-10-01

The nitrogen diffusivity in single-crystalline AISI 316L austenitic stainless steel (ASS) during ion nitriding has been investigated at different crystal orientations ((001), (110), (111)) under variations of ion flux (0.3-0.7 mA cm{sup -2}), ion energy (0.5-1.2 keV), and temperature (370-430 deg. C). The nitrogen depth profiles obtained from nuclear reaction analysis are in excellent agreement with fits using the model of diffusion under the influence of traps, from which diffusion coefficients were extracted. At fixed ion energy and flux, the diffusivity varies by a factor up to 2.5 at different crystal orientations. At (100) orientation, it increases linearly with increasingmore » ion flux or energy. The findings are discussed on the basis of atomistic mechanisms of interstitial diffusion, potential lattice distortions, local decomposition, and ion-induced lattice vibrational excitations.« less

The heavy ion diffusion region in magnetic reconnection in the Earth's magnetotail

NASA Astrophysics Data System (ADS)

Liu, Y. H.; Mouikis, C. G.; Kistler, L. M.; Wang, S.; Roytershteyn, V.; Karimabadi, H.

2015-05-01

While the plasma in the Earth's magnetotail predominantly consists of protons and electrons, there are times when a significant amount of oxygen is present. When magnetic reconnection occurs, the behavior of these heavy ions can be significantly different from that of the protons, due to their larger gyroradius. In this study, we investigate the heavy ion distribution functions in the reconnection ion diffusion region from a 2.5D three-species particle-in-cell numerical simulation and compare those with Cluster observations from the near-Earth magnetotail. From the simulation results, we find that the heavy ions are demagnetized and accelerated in a larger diffusion region, the heavy ion diffusion region. The ion velocity distribution functions show that, inside the heavy ion diffusion region, heavy ions appear as counterstreaming beams along z in the GSM x-z plane, while drifting in y, carrying cross-tail current. We compare this result with Cluster observations in the vicinity of reconnection regions in the near-Earth magnetotail and find that the simulation predictions are consistent with the observed ion distribution functions in the ion diffusion region, as well as the inflow, exhaust, and separatrix regions. Based on the simulation and observation results, the presence of a multiscale diffusion region model, for O+ abundant reconnection events in the Earth's magnetotail, is demonstrated. A test particle simulation shows that in the diffusion region, the H+ gains energy mainly through Ex, while the O+ energy gain comes equally from Ex and Ey.

Observation of Three-Dimensional Magnetic Reconnection in the Terrestrial Magnetotail

NASA Astrophysics Data System (ADS)

Zhou, Meng; Ashour-Abdalla, Maha; Deng, Xiaohua; Pang, Ye; Fu, Huishan; Walker, Raymond; Lapenta, Giovanni; Huang, Shiyong; Xu, Xiaojun; Tang, Rongxin

2017-09-01

Study of magnetic reconnection has been focused on two-dimensional geometry in the past decades, whereas three-dimensional structures and dynamics of reconnection X line are poorly understood. In this paper, we report Cluster multispacecraft observations of a three-dimensional magnetic reconnection X line with a weak guide field ( 25% of the upstream magnetic field) in the Earth's magnetotail. We find that the X line not only retreated tailward but also expanded across the tail following the electron flow direction with a maximum average speed of (0.04-0.15) VA,up, where VA,up is the upstream Alfvén speed, or (0.14-0.57) Vde, where Vde is the electron flow speed in the out-of-plane direction. An ion diffusion region was observed by two spacecraft that were separated about 10 ion inertial lengths along the out-of-plane direction; however, these two spacecraft observed distinct magnetic structures associated with reconnection: one spacecraft observed dipolarization fronts, while the other one observed flux ropes. This indicates that reconnection proceeds in drastically different ways in different segments along the X line only a few ion inertial lengths apart.

Importance of Ion Packing on the Dynamics of Ionic Liquids during Micropore Charging.

PubMed

He, Yadong; Qiao, Rui; Vatamanu, Jenel; Borodin, Oleg; Bedrov, Dmitry; Huang, Jingsong; Sumpter, Bobby G

2016-01-07

Molecular simulations of the diffusion of EMIM(+) and TFSI(-) ions in slit-shaped micropores under conditions similar to those during charging show that in pores that accommodate only a single layer of ions, ions diffuse increasingly faster as the pore becomes charged (with diffusion coefficients even reaching ∼5 × 10(-9) m(2)/s), unless the pore becomes very highly charged. In pores wide enough to fit more than one layer of ions, ion diffusion is slower than in the bulk and changes modestly as the pore becomes charged. Analysis of these results revealed that the fast (or slow) diffusion of ions inside a micropore during charging is correlated most strongly with the dense (or loose) ion packing inside the pore. The molecular details of the ions and the precise width of the pores modify these trends weakly, except when the pore is so narrow that the ion conformation relaxation is strongly constrained by the pore walls.

Importance of Ion Packing on the Dynamics of Ionic Liquids during Micropore Charging

DOE PAGES

He, Yadong; Qiao, Rui; Vatamanu, Jenel; ...

2015-12-07

In molecular simulations of the diffusion of EMIM+ and TESI- ions in slit-shaped micropores under conditions similar to those during charging show that in pores that accommodate only a single layer of ions, ions diffuse increasingly faster as the pore becomes charged (with diffusion coefficients even reaching similar to 5 x 10 -9 m 2/s), unless the pore becomes very highly charged. In pores wide enough to fit more than one layer of ions, ion diffusion is slower than in the bulk and changes modestly as the pore becomes charged. Moreover, analysis of these results revealed that the fast (ormore » slow) diffusion of ions inside a micropore during charging is correlated most strongly with the dense (or loose) ion packing inside the pore. Finally, the molecular details of the ions and the precise width of the pores modify these trends weakly, except when the pore is so narrow that the ion conformation relaxation is strongly constrained by the pore walls.« less

Ion transport with charge-protected and non-charge-protected cations using the compensated Arrhenius formalism. Part 2. Relationship between ionic conductivity and diffusion.

PubMed

Petrowsky, Matt; Fleshman, Allison; Bopege, Dharshani N; Frech, Roger

2012-08-09

Temperature-dependent ionic conductivities and cation/anion self-diffusion coefficients are measured for four electrolyte families: TbaTf-linear primary alcohols, LiTf-linear primary alcohols, TbaTf-n-alkyl acetates, and LiTf-n-alkyl acetates. The Nernst-Einstein equation does not adequately describe the data. Instead, the compensated Arrhenius formalism is applied to both conductivity and diffusion data. General trends based on temperature and alkyl chain length are observed when conductivity is plotted against cation or anion diffusion coefficient, but there is no clear pattern to the data. However, plotting conductivity exponential prefactors against those for diffusion results in four distinct curves, one each for the alcohol and acetate families described above. Furthermore, the TbaTf-alcohol and TbaTf-acetate data are "in line" with each other. The conductivity prefactors for the LiTf-alcohol data are smaller than those for the TbaTf data. The LiTf-acetate data have the lowest conductivity prefactors. This trend in prefactors mirrors the observed trend in degree of ionic association for these electrolytes.

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

Garimella, Sandilya V. B.; Ibrahim, Yehia M.; Tang, Keqi

A novel concept for ion spatial peak compression is described, and discussed primarily in the context of ion mobility spectrometry (IMS). Using theoretical and numerical methods, the effects of using non-constant (e.g., linearly varying) electric fields on ion distributions (e.g., an ion mobility peak) is evaluated both in the physical and temporal domains. The application of linearly decreasing electric field in conjunction with conventional drift field arrangements is shown to lead to a reduction in IMS physical peak width. When multiple ion packets in a selected mobility window are simultaneously subjected to such fields, there is ion packet compression, i.e.,more » a reduction in peak widths of all species. This peak compression occurs with a modest reduction of resolution, but which can be quickly recovered as ions drift in a constant field after the compression event. Compression also yields a significant increase in peak intensities. In addition, approaches for peak compression in traveling wave IMS are also discussed. Ion mobility peak compression can be particularly useful for mitigating diffusion driven peak spreading over very long path length separations (e.g., in cyclic multi-pass arrangements), and for achieving higher S/N and IMS resolution over a selected mobility range.« less

Self-similar solutions for multi-species plasma mixing by gradient driven transport

NASA Astrophysics Data System (ADS)

Vold, E.; Kagan, G.; Simakov, A. N.; Molvig, K.; Yin, L.

2018-05-01

Multi-species transport of plasma ions across an initial interface between DT and CH is shown to exhibit self-similar species density profiles under 1D isobaric conditions. Results using transport theory from recent studies and using a Maxwell–Stephan multi-species approximation are found to be in good agreement for the self-similar mix profiles of the four ions under isothermal and isobaric conditions. The individual ion species mass flux and molar flux profile results through the mixing layer are examined using transport theory. The sum over species mass flux is confirmed to be zero as required, and the sum over species molar flux is related to a local velocity divergence needed to maintain pressure equilibrium during the transport process. The light ion species mass fluxes are dominated by the diagonal coefficients of the diffusion transport matrix, while for the heaviest ion species (C in this case), the ion flux with only the diagonal term is reduced by about a factor two from that using the full diffusion matrix, implying the heavy species moves more by frictional collisions with the lighter species than by its own gradient force. Temperature gradient forces were examined by comparing profile results with and without imposing constant temperature gradients chosen to be of realistic magnitude for ICF experimental conditions at a fuel-capsule interface (10 μm scale length or greater). The temperature gradients clearly modify the relative concentrations of the ions, for example near the fuel center, however the mixing across the fuel-capsule interface appears to be minimally influenced by the temperature gradient forces within the expected compression and burn time. Discussion considers the application of the self-similar profiles to specific conditions in ICF.

Ionomers for Ion-Conducting Energy Materials

NASA Astrophysics Data System (ADS)

Colby, Ralph

For ionic actuators and battery separators, it is vital to utilize single-ion conducting ionomers that avoid the detrimental polarization of other ions. Single-ion conducting ionomers are synthesized based on DFT calculations, with low glass transition temperatures (facile dynamics) to prepare ion-conducting membranes for battery separators that conduct Li+ or Na+. Characterization by X-ray scattering, dielectric spectroscopy, FTIR, NMR and linear viscoelasticity collectively develop a coherent picture of ionic aggregation and both counterion and polymer dynamics. 7Li NMR diffusion measurements find that diffusion is faster than expected by conductivity using the Nernst-Einstein equation, which means that the majority of Li diffusion occurs by ion pairs moving with the polymer segmental motion. Segmental motion only contributes to ionic conduction in the rare event that one of these ion pairs has an extra Li (a positive triple ion). This leads us to a new metric for ion-conducting soft materials, the product of the cation number density p0 and their diffusion coefficient D; p0D is the diffusive flux of lithium ions. This new metric has a maximum at intermediate ion content that corresponds to the overlap of ion pair polarizability volumes. At higher ion contents, the ion pairs interact strongly and form larger aggregation states that retard segmental motion of both mobile ion pairs and triple ions.

Effect of Crystal Defects on Minority Carrier Diffusion Length in 6H SiC Measured Using the Electron Beam Induced Current Method

NASA Technical Reports Server (NTRS)

Tabib-Azar, Massood

1997-01-01

We report values of minority carrier diffusion length in n-type 6H SiC measured using a planar Electron Beam Induced Current (EBIC) method. Values of hole diffusion length in defect free regions of n-type 6H SiC, with a doping concentration of 1.7El7 1/cu cm, ranged from 1.46 microns to 0.68 microns. We next introduce a novel variation of the planar method used above. This 'planar mapping' technique measured diffusion length along a linescan creating a map of diffusion length versus position. This map is then overlaid onto the EBIC image of the corresponding linescan, allowing direct visualization of the effect of defects on minority carrier diffusion length. Measurements of the above n-type 6H SiC resulted in values of hole diffusion length ranging from 1.2 micron in defect free regions to below 0.1 gm at the center of large defects. In addition, measurements on p-type 6H SiC resulted in electron diffusion lengths ranging from 1.42 micron to 0.8 micron.

Observations of Ag diffusion in ion implanted SiC

DOE PAGES

Gerczak, Tyler J.; Leng, Bin; Sridharan, Kumar; ...

2015-03-17

The nature and magnitude of Ag diffusion in SiC has been a topic of interest in connection with the performance of tristructural isotropic (TRISO) coated particle fuel for high temperature gas-cooled nuclear reactors. Ion implantation diffusion couples have been revisited to continue developing a more complete understanding of Ag fission product diffusion in SiC. Ion implantation diffusion couples fabricated from single crystal 4H-SiC and polycrystalline 3C-SiC substrates and exposed to 1500–1625°C, were investigated in this study by transmission electron microscopy and secondary ion mass spectrometry (SIMS). The high dynamic range of SIMS allowed for multiple diffusion régimes to be investigated,more » including enhanced diffusion by implantation-induced defects and grain boundary (GB) diffusion in undamaged SiC. Lastly, estimated diffusion coefficients suggest GB diffusion in bulk SiC does not properly describe the release observed from TRISO fuel.« less

Spatiotemporal dynamics of charged species in the afterglow of plasmas containing negative ions.

PubMed

Kaganovich, I D; Ramamurthi, B N; Economou, D J

2001-09-01

The spatiotemporal evolution of charged species densities and wall fluxes during the afterglow of an electronegative discharge has been investigated. The decay of a plasma with negative ions consists of two stages. During the first stage of the afterglow, electrons dominate plasma diffusion and negative ions are trapped inside the vessel by the static electric field; the flux of negative ions to the walls is nearly zero. During this stage, the electron escape frequency increases considerably in the presence of negative ions, and can eventually approach free electron diffusion. During the second stage of the afterglow, electrons have disappeared, and positive and negative ions diffuse to the walls with the ion-ion ambipolar diffusion coefficient. Theories for plasma decay have been developed for equal and strongly different ion (T(i)) and electron (T(e)) temperatures. In the case T(i)=T(e), the species spatial profiles are similar and an analytic solution exists. When detachment is important in the afterglow (weakly electronegative gases, e.g., oxygen) the plasma decay crucially depends on the product of negative ion detachment frequency (gamma(d)) and diffusion time (tau(d)). If gamma(d)tau(d)>2, negative ions convert to electrons during their diffusion towards the walls. The presence of detached electrons results in "self-trapping" of the negative ions, due to emerging electric fields, and the negative ion flux to the walls is extremely small. In the case T(i)

The diffusion of ions in unconsolidated sediments

USGS Publications Warehouse

Manheim, F.T.

1970-01-01

Diffusion in unconsolidated sediments generally proceeds at rates ranging from half to one twentieth of those applying to diffusion of ions and molecules in free solution. Diffusion rates are predictable with respect to porosity and path tortuosity in host sediments, and can be conveniently measured by determinations of electrical resistivity on bulk sediment samples. Net ion flux is further influenced by reactions of diffusing species with enclosing sediments, but such influences should not be confused with or lumped with diffusion processes. ?? 1970.

Electrokinetic mixing at high zeta potentials: ionic size effects on cross stream diffusion.

PubMed

Ahmadian Yazdi, Alireza; Sadeghi, Arman; Saidi, Mohammad Hassan

2015-03-15

The electrokinetic phenomena at high zeta potentials may show several unique features which are not normally observed. One of these features is the ionic size (steric) effect associated with the solutions of high ionic concentration. In the present work, attention is given to the influences of finite ionic size on the cross stream diffusion process in an electrokinetically actuated Y-shaped micromixer. The method consists of a finite difference based numerical approach for non-uniform grid which is applied to the dimensionless form of the governing equations, including the modified Poisson-Boltzmann equation. The results reveal that, neglecting the ionic size at high zeta potentials gives rise to the overestimation of the mixing length, because the steric effects retard liquid flow, thereby enhancing the mixing efficiency. The importance of steric effects is found to be more intense for channels of smaller width to height ratio. It is also observed that, in sharp contrast to the conditions that the ions are treated as point charges, increasing the zeta potential improves the cross stream diffusion when incorporating the ionic size. Moreover, increasing the EDL thickness decreases the mixing length, whereas the opposite is true for the channel aspect ratio. Copyright © 2014 Elsevier Inc. All rights reserved.

Transport Imaging of Multi-Junction and CIGS Solar Cell Materials

DTIC Science & Technology

2011-12-01

solar cells start with the material charge transport parameters, namely the charge mobility, lifetime and diffusion length . It is the goal of...every solar cell manufacturer to maintain high carrier lifetime so as to realize long diffusion lengths . Long diffusion lengths ensure that the charges...Thus, being able to accurately determine the diffusion length of any solar cell material proves advantageous by providing insights

Dependence of Exciton Diffusion Length and Diffusion Coefficient on Photophysical Parameters in Bulk Heterojunction Organic Solar Cells

NASA Astrophysics Data System (ADS)

Yeboah, Douglas; Singh, Jai

2017-11-01

Recently, the dependence of exciton diffusion length (LD ) on some photophysical parameters of organic solids has been experimentally demonstrated, however no systematic theoretical analysis of this phenomenon has been carried out. We have conducted a theoretical study by using the Förster resonance energy transfer and Dexter carrier transfer mechanisms together with the Einstein-Smoluchowski diffusion equation to derive analytical models for the diffusion lengths (LD ) and diffusion coefficients (D) of singlet (S) and triplet (T) excitons in organic solids as functions of spectral overlap integral (J) , photoluminescence (PL) quantum yield (φD ) , dipole moment (μT ) and refractive index (n) of the photoactive material. The exciton diffusion lengths and diffusion coefficients in some selected organic solids were calculated, and we found that the singlet exciton diffusion length (LDS ) increases with φD and J, and decreases with n. Also, the triplet exciton diffusion length (LDT ) increases with φD and decreases with μT . These may be achieved through doping the organic solids into broad optical energy gap host materials as observed in previous experiments. The calculated exciton diffusion lengths are compared with experimental values and a reasonably good agreement is found between them. The results presented are expected to provide insight relevant to the synthesis of new organic solids for fabrication of bulk heterojunction organic solar cells characterized by better power conversion efficiency.

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.

Numerical solution of a multi-ion one-potential model for electroosmotic flow in two-dimensional rectangular microchannels.

PubMed

Van Theemsche, Achim; Deconinck, Johan; Van den Bossche, Bart; Bortels, Leslie

2002-10-01

A new more general numerical model for the simulation of electrokinetic flow in rectangular microchannels is presented. The model is based on the dilute solution model and the Navier-Stokes equations and has been implemented in a finite-element-based C++ code. The model includes the ion distribution in the Helmholtz double layer and considers only one single electrical' potential field variable throughout the domain. On a charged surface(s) the surface charge density, which is proportional to the local electrical field, is imposed. The zeta potential results, then, from this boundary condition and depends on concentrations, temperature, ion valence, molecular diffusion coefficients, and geometric conditions. Validation cases show that the model predicts accurately known analytical results, also for geometries having dimensions comparable to the Debye length. As a final study, the electro-osmotic flow in a controlled cross channel is investigated.

Cobalt silicate hierarchical hollow spheres for lithium-ion batteries.

PubMed

Yang, Jun; Guo, Yuanyuan; Zhang, Yufei; Sun, Chencheng; Yan, Qingyu; Dong, Xiaochen

2016-09-09

In this paper, the synthesis of cobalt silicate novel hierarchical hollow spheres via a facile hydrothermal method is presented. With a unique hollow structure, the Co2SiO4 provides a large surface area, which can shorten the lithium ions diffusion length and effectively accommodate the volumetic variation during the lithiation/de-lithiation process. Serving as an anode material in lithium-ion battery application, the Co2SiO4 electrode demonstrates a high reversible specific capacity (first-cycle charge capacity of 948.6 mAh g(-1) at 100 mA g(-1)), a cycling durability (specific capacity of 791.4 mAh g(-1) after 100 cycles at 100 mA g(-1)), and a good rate capability (specific capacity of 349.4 mAh g(-1) at 10 A g(-1)). The results indicate that the cobalt silicate hierarchical hollow sphere holds the potential applications in energy storage electrodes.

A Novel Graphene-Polysulfide Anode Material for High-Performance Lithium-Ion Batteries

PubMed Central

Ai, Wei; Xie, Linghai; Du, Zhuzhu; Zeng, Zhiyuan; Liu, Juqing; Zhang, Hua; Huang, Yunhui; Huang, Wei; Yu, Ting

2013-01-01

We report a simple and efficient approach for fabrication of novel graphene-polysulfide (GPS) anode materials, which consists of conducting graphene network and homogeneously distributed polysulfide in between and chemically bonded with graphene sheets. Such unique architecture not only possesses fast electron transport channels, shortens the Li-ion diffusion length but also provides very efficient Li-ion reservoirs. As a consequence, the GPS materials exhibit an ultrahigh reversible capacity, excellent rate capability and superior long-term cycling performance in terms of 1600, 550, 380 mAh g−1 after 500, 1300, 1900 cycles with a rate of 1, 5 and 10 A g−1 respectively. This novel and simple strategy is believed to work broadly for other carbon-based materials. Additionally, the competitive cost and low environment impact may promise such materials and technique a promising future for the development of high-performance energy storage devices for diverse applications. PMID:23903017

Estimating the spin diffusion length and the spin Hall angle from spin pumping induced inverse spin Hall voltages

NASA Astrophysics Data System (ADS)

Roy, Kuntal

2017-11-01

There exists considerable confusion in estimating the spin diffusion length of materials with high spin-orbit coupling from spin pumping experiments. For designing functional devices, it is important to determine the spin diffusion length with sufficient accuracy from experimental results. An inaccurate estimation of spin diffusion length also affects the estimation of other parameters (e.g., spin mixing conductance, spin Hall angle) concomitantly. The spin diffusion length for platinum (Pt) has been reported in the literature in a wide range of 0.5-14 nm, and in particular it is a constant value independent of Pt's thickness. Here, the key reasonings behind such a wide range of reported values of spin diffusion length have been identified comprehensively. In particular, it is shown here that a thickness-dependent conductivity and spin diffusion length is necessary to simultaneously match the experimental results of effective spin mixing conductance and inverse spin Hall voltage due to spin pumping. Such a thickness-dependent spin diffusion length is tantamount to the Elliott-Yafet spin relaxation mechanism, which bodes well for transitional metals. This conclusion is not altered even when there is significant interfacial spin memory loss. Furthermore, the variations in the estimated parameters are also studied, which is important for technological applications.

Protic ammonium carboxylate ionic liquids: insight into structure, dynamics and thermophysical properties by alkyl group functionalization.

PubMed

Reddy, Th Dhileep N; Mallik, Bhabani S

2017-04-19

This study is aimed at characterising the structure, dynamics and thermophysical properties of five alkylammonium carboxylate ionic liquids (ILs) from classical molecular dynamics simulations. The structural features of these ILs were characterised by calculating the site-site radial distribution functions, g(r), spatial distribution functions and structure factors. The structural properties demonstrate that ILs show greater interaction between cations and anions when alkyl chain length increases on the cation or anion. In all ILs, spatial distribution functions show that the anion is close to the acidic hydrogen atoms of the ammonium cation. We determined the role of alkyl group functionalization of the charged entities, cations and anions, in the dynamical behavior and the transport coefficients of this family of ionic liquids. The dynamics of ILs are described by studying the mean square displacement (MSD) of the centres of mass of the ions, diffusion coefficients, ionic conductivities and hydrogen bonds as well as residence dynamics. The diffusion coefficients and ionic conductivity decrease with an increase in the size of the cation or anion. The effect of alkyl chain length on ionic conductivity calculated in this article is consistent with the findings of other experimental studies. Hydrogen bond lifetimes and residence times along with structure factors were also calculated, and are related to alkyl chain length.

Etude de la physico-chime d'un magnetoplasma de chlore pour la gravure sous-micrometrique

NASA Astrophysics Data System (ADS)

Pauna, Olivier Daniel

The aim of this thesis is to achieve a better understanding of physical and chemical phenomena occurring in a high-density plasma designed for sub-micron etching of thin films. The plasma is produced in chlorine by means of an electromagnetic surface wave and it can be confined by a uniform static magnetic field. The flexibility offered by the reactor in terms of operating conditions makes possible a parametric study of the influence of the magnetic confinement on the plasma characteristics. Thus, we have examined the plasma properties by means of several diagnostics techniques, including electrostatic probes, laser photodetachment of negative ions, ion acoustic wave propagation and optical emission spectroscopy. First, we investigated the influence of the operating conditions on the spatial properties of the plasma; this includes electric characteristics (electrons, positive and negative ions) as well as chemical characteristics (reactive neutrals). Second, we studied the impact of the reactor aspect ratio (i.e. reactor length/radius ratio) on both electrical and chemical characteristics. Together with these experimental studies, we have developed a bidimensional fluid model, by solving self-consistently the first two moments of Bolzmann equation and Poisson's equation. Using a semi-implicit scheme, it was possible to maintain a short computation time and to use this model to investigate a diffusion plasma in an electropositive gas. We were thus able to estimate the value of the diffusion coefficient in the direction perpendicular to the magnetic field. The results thus obtained are in good qualitative agreement with the diffusion coefficient proposed by Liebermann and Lichtenberg.

Far-field analysis of coupled bulk and boundary layer diffusion toward an ion channel entrance.

PubMed Central

Schumaker, M F; Kentler, C J

1998-01-01

We present a far-field analysis of ion diffusion toward a channel embedded in a membrane with a fixed charge density. The Smoluchowski equation, which represents the 3D problem, is approximated by a system of coupled three- and two-dimensional diffusions. The 2D diffusion models the quasi-two-dimensional diffusion of ions in a boundary layer in which the electrical potential interaction with the membrane surface charge is important. The 3D diffusion models ion transport in the bulk region outside the boundary layer. Analytical expressions for concentration and flux are developed that are accurate far from the channel entrance. These provide boundary conditions for a numerical solution of the problem. Our results are used to calculate far-field ion flows corresponding to experiments of Bell and Miller (Biophys. J. 45:279, 1984). PMID:9591651

Lithium ion solvation and diffusion in bulk organic electrolytes from first-principles and classical reactive molecular dynamics.

PubMed

Ong, Mitchell T; Verners, Osvalds; Draeger, Erik W; van Duin, Adri C T; Lordi, Vincenzo; Pask, John E

2015-01-29

Lithium-ion battery performance is strongly influenced by the ionic conductivity of the electrolyte, which depends on the speed at which Li ions migrate across the cell and relates to their solvation structure. The choice of solvent can greatly impact both the solvation and diffusivity of Li ions. In this work, we used first-principles molecular dynamics to examine the solvation and diffusion of Li ions in the bulk organic solvents ethylene carbonate (EC), ethyl methyl carbonate (EMC), and a mixture of EC and EMC. We found that Li ions are solvated by either carbonyl or ether oxygen atoms of the solvents and sometimes by the PF6(-) anion. Li(+) prefers a tetrahedrally coordinated first solvation shell regardless of which species are involved, with the specific preferred solvation structure dependent on the organic solvent. In addition, we calculated Li diffusion coefficients in each electrolyte, finding slightly larger diffusivities in the linear carbonate EMC compared to the cyclic carbonate EC. The magnitude of the diffusion coefficient correlates with the strength of Li(+) solvation. Corresponding analysis for the PF6(-) anion shows greater diffusivity associated with a weakly bound, poorly defined first solvation shell. These results can be used to aid in the design of new electrolytes to improve Li-ion battery performance.

Cerium Ion Mobility and Diffusivity Rates in Perfluorosulfonic Acid Membranes Measured via Hydrogen Pump Operation

DOE PAGES

Baker, Andrew M.; Babu, Siddharth Komini; Mukundan, Rangachary; ...

2017-09-21

Ion mobility and diffusivity coefficients were determined for cerium ions in Nafion XL perfluorosulfonic acid ionomer membranes at 100% and 50% relative humidity in a conductivity cell using a hydrogen pump. We quantified Ce ion migration profiles as a function of charge transfer through the cell using X-ray fluorescence (XRF). To decouple simultaneous effects of Ce ion mobility and back-diffusion which occur due to potential and concentration gradients, respectively, a one-dimensional model was developed and fit to these intermittent XRF profiles. The resulting mobility and diffusivity coefficients demonstrate the dramatic effects of potential and concentration gradients on Ce ion migrationmore » during PEM fuel cell operation.« less

Cerium Ion Mobility and Diffusivity Rates in Perfluorosulfonic Acid Membranes Measured via Hydrogen Pump Operation

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

Baker, Andrew M.; Babu, Siddharth Komini; Mukundan, Rangachary

Ion mobility and diffusivity coefficients were determined for cerium ions in Nafion XL perfluorosulfonic acid ionomer membranes at 100% and 50% relative humidity in a conductivity cell using a hydrogen pump. We quantified Ce ion migration profiles as a function of charge transfer through the cell using X-ray fluorescence (XRF). To decouple simultaneous effects of Ce ion mobility and back-diffusion which occur due to potential and concentration gradients, respectively, a one-dimensional model was developed and fit to these intermittent XRF profiles. The resulting mobility and diffusivity coefficients demonstrate the dramatic effects of potential and concentration gradients on Ce ion migrationmore » during PEM fuel cell operation.« less

Theory and simulation of ion conduction in the pentameric GLIC channel.

PubMed

Zhu, Fangqiang; Hummer, Gerhard

2012-10-09

GLIC is a bacterial member of the large family of pentameric ligand-gated ion channels. To study ion conduction through GLIC and other membrane channels, we combine the one-dimensional potential of mean force for ion passage with a Smoluchowski diffusion model, making it possible to calculate single-channel conductance in the regime of low ion concentrations from all-atom molecular dynamics (MD) simulations. We then perform MD simulations to examine sodium ion conduction through the GLIC transmembrane pore in two systems with different bulk ion concentrations. The ion potentials of mean force, calculated from umbrella sampling simulations with Hamiltonian replica exchange, reveal a major barrier at the hydrophobic constriction of the pore. The relevance of this barrier for ion transport is confirmed by a committor function that rises sharply in the barrier region. From the free evolution of Na(+) ions starting at the barrier top, we estimate the effective diffusion coefficient in the barrier region, and subsequently calculate the conductance of the pore. The resulting diffusivity compares well with the position-dependent ion diffusion coefficient obtained from restrained simulations. The ion conductance obtained from the diffusion model agrees with the value determined via a reactive-flux rate calculation. Our results show that the conformation in the GLIC crystal structure, with an estimated conductance of ~1 picosiemens at 140 mM ion concentration, is consistent with a physiologically open state of the channel.

Design of a Freestanding Noise Measurement and Recording System to Predict the Intensity and Location of Electromagnetic Radiation from Earthquakes.

DTIC Science & Technology

1984-12-01

the application of an EMP will result in movement of the diffuse layered ions and liquid [Ref. 10]. kpplied EM? and viscous force is given by: 1e...0.1 gamma 1- conductivity, /v= 4 x 10- 7, v = velocity,=length scae B. TELLURIC CURRENTS AB i~, 4 = c"E / D 0O. 0 1 gamma conductivity, E...interface amplifier was designed to set full scale minimum and maximum needle movement in the chart recorder. Calibration of the meter movement was

Temperature-Dependent Lithium-Ion Diffusion and Activation Energy of Li1.2Co0.13Ni0.13Mn0.54O2 Thin-Film Cathode at Nanoscale by Using Electrochemical Strain Microscopy.

PubMed

Yang, Shan; Yan, Binggong; Wu, Jiaxiong; Lu, Li; Zeng, Kaiyang

2017-04-26

This paper presents the in situ mapping of temperature-dependent lithium-ion diffusion at the nanometer level in thin film Li 1.2 Co 0.13 Ni 0.13 Mn 0.54 O 2 cathode using electrochemical strain microscopy. The thin-film Li 1.2 Co 0.13 Ni 0.13 Mn 0.54 O 2 cathode exhibits higher lithium-ion diffusivities with increasing temperature, which explains the higher capacity observed in the lithium-ion batteries with a Li-rich cathode at elevated temperature. In addition, the activation energy for lithium-ion diffusion can be extracted in an Arrhenius-type plot at the level of grain structure with the assumption that the ionic movement is diffusion controlled. Compared with the grain interiors, the grain boundaries show relatively lower activation energy; hence, it is the preferred diffusion path for lithium ions. This study has bridged the gap between atomistic calculations and traditional macroscopic experiments, showing direct evidence as well as mechanisms for ionic diffusion for Li-rich cathode material.

Effect of Ion Streaming on Diffusion of Dust Grains in Dissipative System

NASA Astrophysics Data System (ADS)

Begum, M.; Das, N.

2018-01-01

The presence of strong electric fields in the sheath region of laboratory complex plasma induces an ion drift and perturbs the field around dust grains. The downstream focusing of ions leads to the formation of oscillatory kind of attractive wake potential which superimpose with the normal Debye-Hückel (DH) potential. The structural properties of complex plasma and diffusion coefficient of dust grains in the presence of such a wake potential have been investigated using Langevin dynamics simulation in the subsonic regime of ion flow. The study reveals that the diffusion of dust grains is strongly affected by the ion flow, so that the diffusion changes its character in the wake potential to the DH potential dominant regimes. The dependence of the diffusion coefficient on the parameters, such as the neutral pressure, dust grain size, ion flow velocity, and Coulomb coupling parameter, have been calculated for the subsonic regime by using the Green-Kubo expression, which is based on the integrated velocity autocorrelation function. It is found that the diffusion and the structural property of the system is intimately connected with the interaction potential and significantly get affected in the presence of ion flow in the subsonic regime.

Effects of imidazolium-based ionic liquids on the stability and dynamics of gramicidin A and lipid bilayers at different salt concentrations.

PubMed

Lee, Hwankyu; Kim, Sun Min; Jeon, Tae-Joon

2015-09-01

Gramicidin A (gA) dimers with bilayers, which consist of phospholipids and ionic liquids (ILs) at different molar ratios, were simulated at different salt concentrations of 0.15 and 1M NaCl. Bilayer thickness is larger than the length of a gA dimer, and hence lipids around the gA dimer are significantly disordered to adapt to the gA dimer, yielding membrane curvature. As the IL concentration increases, the bilayer thickness decreases and becomes closer to the gA length, leading to less membrane curvature. Also, ILs significantly increase lateral diffusivities of the gA dimer and lipids at 0.15M NaCl, but not at 1M NaCl because strong electrostatic interactions between salt ions and lipid head groups suppress an increase in the lateral mobility of the bilayer at high salt concentration. These findings help explain the conflicting experimental results that showed the increased ion permeability in electrophysiological experiments at 1M NaCl, but the reduced ion permeability in fluorescent experiments at 0.15M NaCl. ILs disorder lipids and make bilayers thinner, which yields less membrane curvature around the gA dimer and thus stabilizes the gA dimer, leading to the increased ion permeability. This IL effect predominantly occurs at 1M NaCl, where ILs only slightly increase the bilayer dynamics because of the strong electrostatic interactions between salt ions and lipids. In contrast, at 0.15M NaCl, ILs do not only stabilize the curved bilayer but also significantly increase the lateral mobility of gA dimers and lipids, which can reduce gA-induced pore formation, leading to the decreased ion permeability. Copyright © 2015 Elsevier Inc. All rights reserved.

Multi-charge-state molecular dynamics and self-diffusion coefficient in the warm dense matter regime

NASA Astrophysics Data System (ADS)

Fu, Yongsheng; Hou, Yong; Kang, Dongdong; Gao, Cheng; Jin, Fengtao; Yuan, Jianmin

2018-01-01

We present a multi-ion molecular dynamics (MIMD) simulation and apply it to calculating the self-diffusion coefficients of ions with different charge-states in the warm dense matter (WDM) regime. First, the method is used for the self-consistent calculation of electron structures of different charge-state ions in the ion sphere, with the ion-sphere radii being determined by the plasma density and the ion charges. The ionic fraction is then obtained by solving the Saha equation, taking account of interactions among different charge-state ions in the system, and ion-ion pair potentials are computed using the modified Gordon-Kim method in the framework of temperature-dependent density functional theory on the basis of the electron structures. Finally, MIMD is used to calculate ionic self-diffusion coefficients from the velocity correlation function according to the Green-Kubo relation. A comparison with the results of the average-atom model shows that different statistical processes will influence the ionic diffusion coefficient in the WDM regime.

Nonlinear optical susceptibilities in the diffusion modified AlxGa1-xN/GaN single quantum well

NASA Astrophysics Data System (ADS)

Das, T.; Panda, S.; Panda, B. K.

2018-05-01

Under thermal treatment of the post growth AlGaN/GaN single quantum well, the diffusion of Al and Ga atoms across the interface is expected to form the diffusion modified quantum well with diffusion length as a quantitative parameter for diffusion. The modification of confining potential and position-dependent effective mass in the quantum well due to diffusion is calculated taking the Fick's law. The built-in electric field which arises from spontaneous and piezoelectric polarizations in the wurtzite structure is included in the effective mass equation. The electronic states are calculated from the effective mass equation using the finite difference method for several diffusion lengths. Since the effective well width decreases with increasing diffusion length, the energy levels increase with it. The intersubband energy spacing in the conduction band decreases with diffusion length due to built-in electric field and reduction of effective well width. The linear susceptibility for first-order and the nonlinear second-order and third-order susceptibilities are calculated using the compact density matrix approach taking only two levels. The calculated susceptibilities are red shifted with increase in diffusion lengths due to decrease in intersubband energy spacing.

Effect of short wavelength illumination on the characteristic bulk diffusion length in ribbon silicon solar cells

NASA Technical Reports Server (NTRS)

Ho, C. T.; Mathias, J. D.

1981-01-01

The influence of short wavelength light on the characteristic bulk minority carrier diffusion length of the ribbon silicon photovoltaic cell has been investigated. We have measured the intensity and wavelength dependence of the diffusion length in an EFG ribbon cell, and compared it with a standard Czochralski grown silicon cell. While the various short wavelength illuminations have shown no influence on the diffusion length in the CZ cell, the diffusion lengths in the ribbon cell exhibit a strong dependence on the volume generation rate as well as on the wavelength of the superimposed lights. We have concluded that the trap-filling phenomenon at various depths in the bulk neutral region of the cell is consistent with the experimental observation.

Electron Currents and Heating in the Ion Diffusion Region of Asymmetric Reconnection

NASA Technical Reports Server (NTRS)

Graham, D. B.; Khotyaintsev, Yu. V.; Norgren, C.; Vaivads, A.; Andre, M.; Lindqvist, P. A.; Marklund, G. T.; Ergun, R. E.; Paterson, W. R.; Gershman, D. J.;

Ti diffusion in ion prebombarded MgO(100). I. A model for quantitative analysis

NASA Astrophysics Data System (ADS)

Lu, M.; Lupu, C.; Styve, V. J.; Lee, S. M.; Rabalais, J. W.

2002-01-01

Enhancement of Ti diffusion in MgO(100) prebombarded with 7 keV Ar+ has been observed. Diffusion was induced by annealing to 1000 °C following the prebombardment and Ti evaporation. Such a sample geometry and experimental procedure alleviates the continuous provision of freely mobile defects introduced by ion irradiation during annealing for diffusion, making diffusion proceed in a non-steady-state condition. Diffusion penetration profiles were obtained by using secondary ion mass spectrometry depth profiling techniques. A model that includes a depth-dependent diffusion coefficient was proposed, which successfully explains the observed non-steady-state radiation enhanced diffusion. The diffusion coefficients are of the order of 10-20 m2/s and are enhanced due to the defect structure inflected by the Ar+ prebombardment.

Near Field Imaging of Gallium Nitride Nanowires for Characterization of Minority Carrier Diffusion

DTIC Science & Technology

2009-12-01

diffusion length in nanowires is critical to potential applications in solar cells , spectroscopic sensing, and/or lasers and light emitting diodes (LED...technique has been successfully demonstrated with thin film solar cell materials [4, 5]. In these experiments, the diffusion length was measured using a...minority carrier diffusion length . This technique has been used in the near-field collection mode to image the diffusion of holes in n-type GaN

Diffusion mechanism in the sodium-ion battery material sodium cobaltate.

PubMed

Willis, T J; Porter, D G; Voneshen, D J; Uthayakumar, S; Demmel, F; Gutmann, M J; Roger, M; Refson, K; Goff, J P

2018-02-16

High performance batteries based on the movement of Li ions in Li x CoO 2 have made possible a revolution in mobile electronic technology, from laptops to mobile phones. However, the scarcity of Li and the demand for energy storage for renewables has led to intense interest in Na-ion batteries, including structurally-related Na x CoO 2 . Here we have determined the diffusion mechanism for Na 0.8 CoO 2 using diffuse x-ray scattering, quasi-elastic neutron scattering and ab-initio molecular dynamics simulations, and we find that the sodium ordering provides diffusion pathways and governs the diffusion rate. Above T ~ 290 K the so-called partially disordered stripe superstructure provides channels for quasi-1D diffusion, and melting of the sodium ordering leads to 2D superionic diffusion above T ~ 370 K. We obtain quantitative agreement between our microscopic study of the hopping mechanism and bulk self-diffusion measurements. Our approach can be applied widely to other Na- or Li-ion battery materials.

Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics

DOE PAGES

Ong, Mitchell T.; Verners, Osvalds; Draeger, Erik W.; ...

2014-12-19

We report that lithium-ion battery performance is strongly influenced by the ionic conductivity of the electrolyte, which depends on the speed at which Li ions migrate across the cell and relates to their solvation structure. The choice of solvent can greatly impact both the solvation and diffusivity of Li ions. In this work, we used first-principles molecular dynamics to examine the solvation and diffusion of Li ions in the bulk organic solvents ethylene carbonate (EC), ethyl methyl carbonate (EMC), and a mixture of EC and EMC. We found that Li ions are solvated by either carbonyl or ether oxygen atoms of the solvents and sometimes by the PF more » $$\\bar{6}$$ anion. Li + prefers a tetrahedrally coordinated first solvation shell regardless of which species are involved, with the specific preferred solvation structure dependent on the organic solvent. In addition, we calculated Li diffusion coefficients in each electrolyte, finding slightly larger diffusivities in the linear carbonate EMC compared to the cyclic carbonate EC. The magnitude of the diffusion coefficient correlates with the strength of Li + solvation. Corresponding analysis for the PF $$\\bar{6}$$ anion shows greater diffusivity associated with a weakly bound, poorly defined first solvation shell. In conclusion, these results can be used to aid in the design of new electrolytes to improve Li-ion battery performance.« less

An Ab Initio and Kinetic Monte Carlo Simulation Study of Lithium Ion Diffusion on Graphene

PubMed Central

Zhong, Kehua; Yang, Yanmin; Xu, Guigui; Zhang, Jian-Min; Huang, Zhigao

2017-01-01

The Li+ diffusion coefficients in Li+-adsorbed graphene systems were determined by combining first-principle calculations based on density functional theory with Kinetic Monte Carlo simulations. The calculated results indicate that the interactions between Li ions have a very important influence on lithium diffusion. Based on energy barriers directly obtained from first-principle calculations for single-Li+ and two-Li+ adsorbed systems, a new equation predicting energy barriers with more than two Li ions was deduced. Furthermore, it is found that the temperature dependence of Li+ diffusion coefficients fits well to the Arrhenius equation, rather than meeting the equation from electrochemical impedance spectroscopy applied to estimate experimental diffusion coefficients. Moreover, the calculated results also reveal that Li+ concentration dependence of diffusion coefficients roughly fits to the equation from electrochemical impedance spectroscopy in a low concentration region; however, it seriously deviates from the equation in a high concentration region. So, the equation from electrochemical impedance spectroscopy technique could not be simply used to estimate the Li+ diffusion coefficient for all Li+-adsorbed graphene systems with various Li+ concentrations. Our work suggests that interactions between Li ions, and among Li ion and host atoms will influence the Li+ diffusion, which determines that the Li+ intercalation dependence of Li+ diffusion coefficient should be changed and complex. PMID:28773122

Effect of Structure on Transport Properties (Viscosity, Ionic Conductivity, and Self-Diffusion Coefficient) of Aprotic Heterocyclic Anion (AHA) Room Temperature Ionic Liquids. 2. Variation of Alkyl Chain Length in the Phosphonium Cation.

PubMed

Sun, Liyuan; Morales-Collazo, Oscar; Xia, Han; Brennecke, Joan F

2016-06-30

A series of room-temperature ionic liquids (ILs) composed of triethyl(alkyl)phosphonium cations paired with three different aprotic heterocyclic anions (AHAs) (alkyl = butyl ([P2224](+)) and octyl ([P2228](+))) were prepared to investigate the effect of cationic alkyl chain length on transport properties. The transport properties and density of these ILs were measured from 283.15 to 343.15 K at ambient pressure. The dependence of the transport properties (viscosity, ionic conductivity, diffusivity, and molar conductivity) on temperature can be described by the Vogel-Fulcher-Tamman (VFT) equation. The ratio of the molar conductivity obtained from the molar concentration and ionic conductivity measurements to that calculated from self-diffusion coefficients (measured by pulsed gradient spin-echo nuclear magnetic resonance spectroscopy) using the Nernst-Einstein equation was used to quantify the ionicity of these ILs. The molar conductivity ratio decreases with increasing number of carbon atoms in the alkyl chain, indicating that the reduced Coulombic interactions resulting from lower density are more than balanced by the increased van der Waals interactions between the alkyl chains. The results of this study may provide insight into the design of ILs with enhanced dynamics that may be suitable as electrolytes in lithium ion batteries and other electrochemical applications.

Na Diffusion in Quasi One-Dimensional Ion Conductor NaMn2O4 Observed by μ+SR

NASA Astrophysics Data System (ADS)

Umegaki, Izumi; Nozaki, Hiroshi; Harada, Masashi; Månsson, Martin; Sakurai, Hiroya; Kawasaki, Ikuto; Watanabe, Isao; Sugiyama, Jun

A quasi one-dimensional (1D) compound, NaMn2O4, in which Mn2O4 zigzag chains form a 1D channel along the b-axis and Na ions locate at the center of the channel, is thought to be a good Na ionic conductor. In order to study Na-ion diffusion, we have measured μ+SR spectra using a powder sample in the temperature range between 100 and 500 K. A diffusive behavior was clearly observed above 325 K. Assuming a thermal activate process for jump diffusion of Na-ion between two nearest neighboring sites, a self diffusion coefficient of Na ion (DNa) and its activation energy (Ea) were estimated as DNa = (3.1 ± 0.2) × 10 - 11 cm2/s at 350 K and Ea = 180(9) meV.

Anomalous cation diffusion in salt-doped confined bilayer ice.

PubMed

Qiu, Hu; Xue, Minmin; Shen, Chun; Guo, Wanlin

2018-05-17

The diffusive dynamics of aqueous electrolyte solutions in nanoconfined spaces has attracted considerable attention due to their potential applications in desalination, biosensors and supercapacitors. Here we show by molecular dynamics simulations that lithium and sodium ions diffuse at a rate at least an order of magnitude higher than that of water molecules when the ions are trapped in an ice bilayer confined between two parallel plates. This novel picture is in sharp contrast to the prevailing view that the diffusion rate of ions is comparable to or even lower than that of water in both bulk and confined solutions. The predicted high ion mobility stems from frequent lateral hopping of ions along the coordination sites inside the hydrogen-bonding network connecting the two water layers of the ice bilayer. This anomalous diffusion should provide new insights into the physics of confined aqueous electrolytes.

Plasma processes in inert gas thrusters

NASA Technical Reports Server (NTRS)

Kaufman, H. R.; Robinson, R. S.

1979-01-01

Inert gas thrusters, particularly with large diameters, have continued to be of interest for space propulsion applications. Two plasma processes are treated in this study: electron diffusion across magnetic fields and double ion production in inert-gas thrusters. A model is developed to describe electron diffusion across a magnetic field that is driven by both density and potential gradients, with Bohm diffusion used to predict the diffusion rate. This model has applications to conduction across magnetic fields inside a discharge chamber, as well as through a magnetic baffle region used to isolate a hollow cathode from the main chamber. A theory for double ion production is presented, which is not as complete as the electron diffusion theory described, but it should be a useful tool for predicting double ion sputter erosion. Correlations are developed that may be used, without experimental data, to predict double ion densities for the design of new and especially larger ion thrusters.

A computational kinetic model of diffusion for molecular systems.

PubMed

Teo, Ivan; Schulten, Klaus

2013-09-28

Regulation of biomolecular transport in cells involves intra-protein steps like gating and passage through channels, but these steps are preceded by extra-protein steps, namely, diffusive approach and admittance of solutes. The extra-protein steps develop over a 10-100 nm length scale typically in a highly particular environment, characterized through the protein's geometry, surrounding electrostatic field, and location. In order to account for solute energetics and mobility of solutes in this environment at a relevant resolution, we propose a particle-based kinetic model of diffusion based on a Markov State Model framework. Prerequisite input data consist of diffusion coefficient and potential of mean force maps generated from extensive molecular dynamics simulations of proteins and their environment that sample multi-nanosecond durations. The suggested diffusion model can describe transport processes beyond microsecond duration, relevant for biological function and beyond the realm of molecular dynamics simulation. For this purpose the systems are represented by a discrete set of states specified by the positions, volumes, and surface elements of Voronoi grid cells distributed according to a density function resolving the often intricate relevant diffusion space. Validation tests carried out for generic diffusion spaces show that the model and the associated Brownian motion algorithm are viable over a large range of parameter values such as time step, diffusion coefficient, and grid density. A concrete application of the method is demonstrated for ion diffusion around and through the Eschericia coli mechanosensitive channel of small conductance ecMscS.

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Measurement of minority carrier diffusion lengths in GaAs nanowires by a nanoprobe technique

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

Darbandi, A.; Watkins, S. P., E-mail: simonw@sfu.ca

Minority carrier diffusion lengths in both p-type and n-type GaAs nanowires were studied using electron beam induced current by means of a nanoprobe technique without lithographic processing. The diffusion lengths were determined for Au/GaAs rectifying junctions as well as axial p-n junctions. By incorporating a thin lattice-matched InGaP passivating shell, a 2-fold enhancement in the minority carrier diffusion lengths and one order of magnitude reduction in the surface recombination velocity were achieved.

Investigation of diffusion length distribution on polycrystalline silicon wafers via photoluminescence methods

PubMed Central

Lou, Shishu; Zhu, Huishi; Hu, Shaoxu; Zhao, Chunhua; Han, Peide

2015-01-01

Characterization of the diffusion length of solar cells in space has been widely studied using various methods, but few studies have focused on a fast, simple way to obtain the quantified diffusion length distribution on a silicon wafer. In this work, we present two different facile methods of doing this by fitting photoluminescence images taken in two different wavelength ranges or from different sides. These methods, which are based on measuring the ratio of two photoluminescence images, yield absolute values of the diffusion length and are less sensitive to the inhomogeneity of the incident laser beam. A theoretical simulation and experimental demonstration of this method are presented. The diffusion length distributions on a polycrystalline silicon wafer obtained by the two methods show good agreement. PMID:26364565

Confinement, Desolvation, And Electrosorption Effects on the Diffusion of Ions in Nanoporous Carbon Electrodes

PubMed Central

2015-01-01

Supercapacitors are electrochemical devices which store energy by ion adsorption on the surface of a porous carbon. They are characterized by high power delivery. The use of nanoporous carbon to increase their energy density should not hinder their fast charging. However, the mechanisms for ion transport inside electrified nanopores remain largely unknown. Here we show that the diffusion is characterized by a hierarchy of time scales arising from ion confinement, solvation, and electrosorption effects. By combining electrochemistry experiments with molecular dynamics simulations, we determine the in-pore conductivities and diffusion coefficients and their variations with the applied potential. We show that the diffusion of the ions is slower by 1 order of magnitude compared to the bulk electrolyte. The desolvation of the ions occurs on much faster time scales than electrosorption. PMID:26369420

Diffusion of water and sodium counter-ions in nanopores of a β-lactoglobulin crystal: a molecular dynamics study

NASA Astrophysics Data System (ADS)

Malek, Kourosh; Odijk, Theo; Coppens, Marc-Olivier

2005-07-01

The dynamics of water and sodium counter-ions (Na+) in a C2221 orthorhombic β-lactoglobulin crystal is investigated by means of 5 ns molecular dynamics simulations. The effect of the fluctuation of the protein atoms on the motion of water and sodium ions is studied by comparing simulations in a rigid and in a flexible lattice. The electrostatic interactions of sodium ions with the positively charged LYS residues inside the crystal channels significantly influence the ionic motion. According to our results, water molecules close to the protein surface undergo an anomalous diffusive motion. On the other hand, the motion of water molecules further away from the protein surface is normal diffusive. Protein fluctuations affect the diffusion constant of water, which increases from 0.646 ± 0.108 to 0.887 ± 0.41 nm2 ns-1, when protein fluctuations are taken into account. The pore size (0.63-1.05 nm) and the water diffusivities are in good agreement with previous experimental results. The dynamics of sodium ions is disordered. LYS residues inside the pore are the main obstacles to the motion of sodium ions. However, the simulation time is still too short for providing a precise description of anomalous diffusion of sodium ions. The results are not only of interest for studying ion and water transport through biological nanopores, but may also elucidate water-protein and ion-protein interactions in protein crystals.

Study of interface correlation in W/C multilayer structure by specular and non-specular grazing incidence X-ray reflectivity measurements

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

Biswas, A., E-mail: arupb@barc.gov.in; Bhattacharyya, D.; Sahoo, N. K.

2015-10-28

W/C/W tri-layer thin film samples have been deposited on c-Si substrates in a home-built Ion Beam Sputtering system at 1.5 × 10{sup −3} Torr Ar working pressure and 10 mA grid current. The tri-layer samples have been deposited at different Ar{sup +} ion energies between 0.6 and 1.2 keV for W layer deposition and the samples have been characterized by specular and non-specular grazing incidence X-ray reflectivity (GIXR) measurements. By analyzing the GIXR spectra, various interface parameters have been obtained for both W-on-C and C-on-W interfaces and optimum Ar{sup +} ion energy for obtaining interfaces with low imperfections has been found. Subsequently, multilayermore » W/C samples with 5-layer, 7-layer, 9-layer, and 13-layer have been deposited at this optimum Ar{sup +} ion energy. By fitting the specular and diffused GIXR data of the multilayer samples with the parameters of each interface as fitting variables, different interface parameters, viz., interface width, in-plane correlation length, interface roughness, and interface diffusion have been estimated for each interface and their variation across the depth of the multilayers have been obtained. The information would be useful in realizing W/C multilayers for soft X-ray mirror application in the <100 Å wavelength regime. The applicability of the “restart of the growth at the interface” model in the case of these ion beam sputter deposited W/C multilayers has also been investigated in the course of this study.« less

Analysis of drift effects on the tokamak power scrape-off width using SOLPS-ITER

NASA Astrophysics Data System (ADS)

Meier, E. T.; Goldston, R. J.; Kaveeva, E. G.; Makowski, M. A.; Mordijck, S.; Rozhansky, V. A.; Senichenkov, I. Yu; Voskoboynikov, S. P.

2016-12-01

SOLPS-ITER, a comprehensive 2D scrape-off layer modeling package, is used to examine the physical mechanisms that set the scrape-off width ({λq} ) for inter-ELM power exhaust. Guided by Goldston’s heuristic drift (HD) model, which shows remarkable quantitative agreement with experimental data, this research examines drift effects on {λq} in a DIII-D H-mode magnetic equilibrium. As a numerical expedient, a low target recycling coefficient of 0.9 is used in the simulations, resulting in outer target plasma that is sheath limited instead of conduction limited as in the experiment. Scrape-off layer (SOL) particle diffusivity (D SOL) is scanned from 1 to 0.1 m2 s-1. Across this diffusivity range, outer divertor heat flux is dominated by a narrow (˜3-4 mm when mapped to the outer midplane) electron convection channel associated with thermoelectric current through the SOL from outer to inner divertor. An order-unity up-down ion pressure asymmetry allows net ion drift flux across the separatrix, facilitated by an artificial mechanism that mimics the anomalous electron transport required for overall ambipolarity in the HD model. At {{D}\\text{SOL}}=0.1 m2 s-1, the density fall-off length is similar to the electron temperature fall-off length, as predicted by the HD model and as seen experimentally. This research represents a step toward a deeper understanding of the power scrape-off width, and serves as a basis for extending fluid modeling to more experimentally relevant, high-collisionality regimes.

Analysis of drift effects on the tokamak power scrape-off width using SOLPS-ITER

DOE PAGES

Meier, E. T.; Goldston, R. J.; Kaveeva, E. G.; ...

2016-11-02

SOLPS-ITER, a comprehensive 2D scrape-off layer modeling package, is used to examine the physical mechanisms that set the scrape-off width (more » $${{\\lambda}_{q}}$$ ) for inter-ELM power exhaust. Guided by Goldston's heuristic drift (HD) model, which shows remarkable quantitative agreement with experimental data, this research examines drift effects on $${{\\lambda}_{q}}$$ in a DIII-D H-mode magnetic equilibrium. As a numerical expedient, a low target recycling coefficient of 0.9 is used in the simulations, resulting in outer target plasma that is sheath limited instead of conduction limited as in the experiment. Scrape-off layer (SOL) particle diffusivity (D SOL) is scanned from 1 to 0.1 m2 s –1. Across this diffusivity range, outer divertor heat flux is dominated by a narrow (~3–4mm when mapped to the outer midplane) electron convection channel associated with thermoelectric current through the SOL from outer to inner divertor. An order-unity up–down ion pressure asymmetry allows net ion drift flux across the separatrix, facilitated by an artificial mechanism that mimics the anomalous electron transport required for overall ambipolarity in the HD model. At $${{D}_{\\text{SOL}}}=0.1$$ m2 s –1, the density fall-off length is similar to the electron temperature fall-off length, as predicted by the HD model and as seen experimentally. Furthermore, this research represents a step toward a deeper understanding of the power scrape-off width, and serves as a basis for extending fluid modeling to more experimentally relevant, high-collisionality regimes.« less

A High-Performance Lithium-Ion Capacitor Based on 2D Nanosheet Materials.

PubMed

Li, Shaohui; Chen, Jingwei; Cui, Mengqi; Cai, Guofa; Wang, Jiangxin; Cui, Peng; Gong, Xuefei; Lee, Pooi See

2017-02-01

Lithium-ion capacitors (LICs) are promising electrical energy storage systems for mid-to-large-scale applications due to the high energy and large power output without sacrificing long cycle stability. However, due to the different energy storage mechanisms between anode and cathode, the energy densities of LICs often degrade noticeably at high power density, because of the sluggish kinetics limitation at the battery-type anode side. Herein, a high-performance LIC by well-defined ZnMn 2 O 4 -graphene hybrid nanosheets anode and N-doped carbon nanosheets cathode is presented. The 2D nanomaterials offer high specific surface areas in favor of a fast ion transport and storage with shortened ion diffusion length, enabling fast charge and discharge. The fabricated LIC delivers a high specific energy of 202.8 Wh kg -1 at specific power of 180 W kg -1 , and the specific energy remains 98 Wh kg -1 even when the specific power achieves as high as 21 kW kg -1 . © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Diffusion of Sites versus Polymers in Polyelectrolyte Complexes and Multilayers.

PubMed

Fares, Hadi M; Schlenoff, Joseph B

2017-10-18

It has long been assumed that the spontaneous formation of materials such as complexes and multilayers from charged polymers depends on (inter)diffusion of these polyelectrolytes. Here, we separately examine the mass transport of polymer molecules and extrinsic sites-charged polyelectrolyte repeat units balanced by counterions-within thin films of polyelectrolyte complex, PEC, using sensitive isotopic labeling techniques. The apparent diffusion coefficients of these sites within PEC films of poly(diallyldimethylammonium), PDADMA, and poly(styrenesulfonate), PSS, are at least 2 orders of magnitude faster than the diffusion of polyelectrolytes themselves. This is because site diffusion requires only local rearrangements of polyelectrolyte repeat units, placing far fewer kinetic limitations on the assembly of polyelectrolyte complexes in all of their forms. Site diffusion strongly depends on the salt concentration (ionic strength) of the environment, and diffusion of PDADMA sites is faster than that of PSS sites, accounting for the asymmetric nature of multilayer growth. Site diffusion is responsible for multilayer growth in the linear and into the exponential regimes, which explains how PDADMA can mysteriously "pass through" layers of PSS. Using quantitative relationships between site diffusion coefficient and salt concentration, conditions were identified that allowed the diffusion length to always exceed the film thickness, leading to full exponential growth over 3 orders of magnitude thickness. Both site and polymer diffusion were independent of molecular weight, suggesting that ion pairing density is a limiting factor. Polyelectrolyte complexes are examples of a broader class of dynamic bulk polymeric materials that (self-) assemble via the transport of cross-links or defects rather than actual molecules.

Rotation driven translational diffusion of polyatomic ions in water: A novel mechanism for breakdown of Stokes-Einstein relation

NASA Astrophysics Data System (ADS)

Banerjee, Puja; Yashonath, Subramanian; Bagchi, Biman

2017-04-01

While most of the existing theoretical and simulation studies have focused on simple, spherical, halide and alkali ions, many chemically, biologically, and industrially relevant electrolytes involve complex non-spherical polyatomic ions like nitrate, chlorate, and sulfate to name only a few. Interestingly, some polyatomic ions in spite of being larger in size show anomalously high diffusivity and therefore cause a breakdown of the venerable Stokes-Einstein (S-E) relation between the size and diffusivity. Here we report a detailed analysis of the dynamics of anions in aqueous potassium nitrate (KNO3) and aqueous potassium acetate (CH3COOK) solutions. The two ions, nitrate (-NO3) and acetate (CH3-CO2 ), with their similar size show a large difference in diffusivity values. We present evidence that the translational motion of these polyatomic ions is coupled to the rotational motion of the ion. We show that unlike the acetate ion, nitrate ion with a symmetric charge distribution among all periphery oxygen atoms shows a faster rotational motion with large amplitude rotational jumps which enhances its translational motion due to translational-rotational coupling. By creating a family of modified-charge model systems, we have analysed the rotational motion of asymmetric polyatomic ions and the contribution of it to the translational motion. These model systems help clarifying and establishing the relative contribution of rotational motion in enhancing the diffusivity of the nitrate ion over the value predicted by the S-E relation and also over the other polyatomic ions having asymmetric charge distribution like the acetate ion. In the latter case, reduced rotational motion results in lower diffusivity values than those with symmetric charge distribution. We propose translational-rotational coupling as a general mechanism of the breakdown of the S-E relation in the case of polyatomic ions.

Rotation driven translational diffusion of polyatomic ions in water: A novel mechanism for breakdown of Stokes-Einstein relation.

PubMed

Banerjee, Puja; Yashonath, Subramanian; Bagchi, Biman

2017-04-28

While most of the existing theoretical and simulation studies have focused on simple, spherical, halide and alkali ions, many chemically, biologically, and industrially relevant electrolytes involve complex non-spherical polyatomic ions like nitrate, chlorate, and sulfate to name only a few. Interestingly, some polyatomic ions in spite of being larger in size show anomalously high diffusivity and therefore cause a breakdown of the venerable Stokes-Einstein (S-E) relation between the size and diffusivity. Here we report a detailed analysis of the dynamics of anions in aqueous potassium nitrate (KNO 3 ) and aqueous potassium acetate (CH 3 COOK) solutions. The two ions, nitrate (NO3-) and acetate (CH 3 CO2-), with their similar size show a large difference in diffusivity values. We present evidence that the translational motion of these polyatomic ions is coupled to the rotational motion of the ion. We show that unlike the acetate ion, nitrate ion with a symmetric charge distribution among all periphery oxygen atoms shows a faster rotational motion with large amplitude rotational jumps which enhances its translational motion due to translational-rotational coupling. By creating a family of modified-charge model systems, we have analysed the rotational motion of asymmetric polyatomic ions and the contribution of it to the translational motion. These model systems help clarifying and establishing the relative contribution of rotational motion in enhancing the diffusivity of the nitrate ion over the value predicted by the S-E relation and also over the other polyatomic ions having asymmetric charge distribution like the acetate ion. In the latter case, reduced rotational motion results in lower diffusivity values than those with symmetric charge distribution. We propose translational-rotational coupling as a general mechanism of the breakdown of the S-E relation in the case of polyatomic ions.

Transport coefficients of gaseous ions in an electric field

NASA Technical Reports Server (NTRS)

Whealton, J. H.; Mason, E. A.

1974-01-01

A general theory of ion mobility formulated by Kihara (1953) is extended to ion diffusion and to mixtures of neutral gases. The theory assumes that only binary collisions between ions and neutral particles need to be taken into account and that the velocity distribution function of the neutral particles is Maxwellian. These assumptions make it possible to use a linearized Boltzmann equation. Questions of mobility are considered along with aspects of diffusion and deviations from Fick's law of diffusion.

Strong Pitch-Angle Diffusion of Ring Current Ions in Geomagnetic Storm-Associated Conditions

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Gamayunov, K. V.; Gallagher, D. L.; Spann, J. F.

2005-01-01

Do electromagnetic ion cyclotron (EMIC) waves cause strong pitch-angle diffusion of RC ions? This question is the primary motivation of this paper and has been affirmatively answered from the theoretical point of view. The materials that are presented in the Results section show clear evidence that strong pitch-angle diffusion takes place in the inner magnetosphere indicating an important role for the wave-particle interaction mechanism in the formation of RC ions and EMIC waves.

What sets the minimum tokamak scrape-off layer width?

NASA Astrophysics Data System (ADS)

Joseph, Ilon

2016-10-01

The heat flux width of the tokamak scrape-off layer is on the order of the poloidal ion gyroradius, but the ``heuristic drift'' physics model is still not completely understood. In the absence of anomalous transport, neoclassical transport sets the minimum width. For plateau collisionality, the ion temperature width is set by qρi , while the electron temperature width scales as the geometric mean q(ρeρi) 1 / 2 and is close to qρi in magnitude. The width is enhanced because electrons are confined by the sheath potential and have a much longer time to radially diffuse before escaping to the wall. In the Pfirsch-Schluter regime, collisional diffusion increases the width by the factor (qR / λ) 1 / 2 where qR is the connection length and λ is the mean free path. This qualitatively agrees with the observed transition in the scaling law for detached plasmas. The radial width of the SOL electric field is determined by Spitzer parallel and ``neoclassical'' radial electric conductivity and has a similar scaling to that for thermal transport. Prepared under US DOE contract DE-AC52-07NA27344.

Determination of axial and lateral exciton diffusion length in GaN by electron energy dependent cathodoluminescence

NASA Astrophysics Data System (ADS)

Hocker, Matthias; Maier, Pascal; Jerg, Lisa; Tischer, Ingo; Neusser, Gregor; Kranz, Christine; Pristovsek, Markus; Humphreys, Colin J.; Leute, Robert A. R.; Heinz, Dominik; Rettig, Oliver; Scholz, Ferdinand; Thonke, Klaus

2016-08-01

We demonstrate the application of low-temperature cathodoluminescence (CL) with high lateral, depth, and spectral resolution to determine both the lateral (i.e., perpendicular to the incident primary electron beam) and axial (i.e., parallel to the electron beam) diffusion length of excitons in semiconductor materials. The lateral diffusion length in GaN is investigated by the decrease of the GaN-related luminescence signal when approaching an interface to Ga(In)N based quantum well stripes. The axial diffusion length in GaN is evaluated from a comparison of the results of depth-resolved CL spectroscopy (DRCLS) measurements with predictions from Monte Carlo simulations on the size and shape of the excitation volume. The lateral diffusion length was found to be (95 ± 40) nm for nominally undoped GaN, and the axial exciton diffusion length was determined to be (150 ± 25) nm. The application of the DRCLS method is also presented on a semipolar (11 2 ¯ 2 ) sample, resulting in a value of (70 ± 10) nm in p-type GaN.

Length distributions of Au-catalyzed III-V nanowires in different regimes of the diffusion-induced growth

NASA Astrophysics Data System (ADS)

Berdnikov, Y.; Zhiglinsky, A. A.; Rylkova, M. V.; Dubrovskii, V. G.

2017-11-01

We present a model for kinetic broadening effects on the length distributions of Au-catalyzed III-V nanowires obtained in the growth regime with adatom diffusion from the substrate and the nanowire sidewalls to the top. We observe three different regimes for the length distribution evolution with time. For short growth times, the length distribution is sub-Poissonian, converting to broader than Poissonian with increasing the mean length above a certain threshold value. After the diffusion flux from the nanowire sidewalls has stabilized, the length distribution variance increases linearly with the mean length, as in the Poissonian process.

Quadrupole terms in the Maxwell equations: Debye-Hückel theory in quadrupolarizable solvent and self-salting-out of electrolytes.

PubMed

Slavchov, Radomir I

2014-04-28

If the molecules of a given solvent possess significant quadrupolar moment, the macroscopic Maxwell equations must involve the contribution of the density of the quadrupolar moment to the electric displacement field. This modifies the Poisson-Boltzmann equation and all consequences from it. In this work, the structure of the diffuse atmosphere around an ion dissolved in quadrupolarizable medium is analyzed by solving the quadrupolar variant of the Coulomb-Ampere's law of electrostatics. The results are compared to the classical Debye-Hückel theory. The quadrupolar version of the Debye-Hückel potential of a point charge is finite even in r = 0. The ion-quadrupole interaction yields a significant expansion of the diffuse atmosphere of the ion and, thus, it decreases the Debye-Hückel energy. In addition, since the dielectric permittivity of the electrolyte solutions depends strongly on concentration, the Born energy of the dissolved ions alters with concentration, which has a considerable contribution to the activity coefficient γ± known as the self-salting-out effect. The quadrupolarizability of the medium damps strongly the self-salting-out of the electrolyte, and thus it affects additionally γ±. Comparison with experimental data for γ± for various electrolytes allows for the estimation of the quadrupolar length of water: LQ ≈ 2 Å, in good agreement with previous assessments. The effect of quadrupolarizability is especially important in non-aqueous solutions. Data for the activity of NaBr in methanol is used to determine the quadrupolarizability of methanol with good accuracy.

Molecular dynamics simulation of diffusion and electrical conductivity in montmorillonite interlayers

DOE PAGES

Greathouse, Jeffery A.; Cygan, Randall T.; Fredrich, Joanne T.; ...

2016-01-20

In this study, the diffusion of water and ions in the interlayer region of smectite clay minerals represents a direct probe of the type and strength of clay–fluid interactions. Interlayer diffusion also represents an important link between molecular simulation and macroscopic experiments. Here we use molecular dynamics simulation to investigate trends in cation and water diffusion in montmorillonite interlayers, looking specifically at the effects of layer charge, interlayer cation and cation charge (sodium or calcium), water content, and temperature. For Na-montmorillonite, the largest increase in ion and water diffusion coefficients occurs between the one-layer and two-layer hydrates, corresponding to themore » transition from inner-sphere to outer-sphere surface complexes. Calculated activation energies for ion and water diffusion in Na-montmorillonite are similar to each other and to the water hydrogen bond energy, suggesting the breaking of water–water and water–clay hydrogen bonds as a likely mechanism for interlayer diffusion. A comparison of interlayer diffusion with that of bulk electrolyte solutions reveals a clear trend of decreasing diffusion coefficient with increasing electrolyte concentration, and in most cases the interlayer diffusion results are nearly coincident with the corresponding bulk solutions. Trends in electrical conductivities computed from the ion diffusion coefficients are also compared.« less

Impact of implanted phosphorus on the diffusivity of boron and its applicability to silicon solar cells

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

Schrof, Julian; Müller, Ralph; Reedy, Robert C.

2015-07-28

Boron diffusivity reduction in extrinsically doped silicon was investigated in the context of a process combination consisting of BBr3 furnace diffusion and preceding Phosphorus ion implantation. The implantation of Phosphorus leads to a substantial blocking of Boron during the subsequent Boron diffusion. First, the influences of ion implantation induced point defects as well as the initial P doping on B diffusivity were studied independently. Here, it was found that not the defects created during ion implantation but the P doping itself results in the observed B diffusion retardation. The influence of the initial P concentration was investigated in more detailmore » by varying the P implantation dose. A secondary ion mass spectrometry (SIMS) analysis of the BSG layer after the B diffusion revealed that the B diffusion retardation is not due to potential P content in the BSG layer but rather caused by the n-type doping of the crystalline silicon itself. Based on the observations the B diffusion retardation was classified into three groups: (i) no reduction of B diffusivity, (ii) reduced B diffusivity, and (iii) blocking of the B diffusion. The retardation of B diffusion can well be explained by the phosphorus doping level resulting in a Fermi level shift and pairing of B and P ions, both reducing the B diffusivity. Besides these main influences, there are probably additional transient phenomena responsible for the blocking of boron. Those might be an interstitial transport mechanism caused by P diffusion that reduces interstitial concentration at the surface or the silicon/BSG interface shift due to oxidation during the BBr3 diffusion process. Lifetime measurements revealed that the residual (non-blocked) B leads to an increased dark saturation current density in the P doped region. Nevertheless, electrical quality is on a high level and was further increased by reducing the B dose as well as by removing the first few nanometers of the silicon surface after the BBr3 diffusion« less

Ionic-Electronic Ambipolar Transport in Metal Halide Perovskites: Can Electronic Conductivity Limit Ionic Diffusion?

PubMed

Kerner, Ross A; Rand, Barry P

2018-01-04

Ambipolar transport describes the nonequilibrium, coupled motion of positively and negatively charged particles to ensure that internal electric fields remain small. It is commonly invoked in the semiconductor community where the motion of excess electrons and holes drift and diffuse together. However, the concept of ambipolar transport is not limited to semiconductor physics. Materials scientists working on ion conducting ceramics understand ambipolar transport dictates the coupled diffusion of ions and the rate is limited by the ion with the lowest diffusion coefficient. In this Perspective, we review a third application of ambipolar transport relevant to mixed ionic-electronic conducting materials for which the motion of ions is expected to be coupled to electronic carriers. In this unique situation, the ambipolar diffusion model has been successful at explaining the photoenhanced diffusion of metal ions in chalcogenide glasses and other properties of materials. Recent examples of photoenhanced phenomena in metal halide perovskites are discussed and indicate that mixed ionic-electronic ambipolar transport is similarly important for a deep understanding of these emerging materials.

Diffusion length variation and proton damage coefficients for InP/In(x)Ga(1-x)As/GaAs solar cells

NASA Technical Reports Server (NTRS)

Jain, R. K.; Weinberg, I.; Flood, D. J.

1993-01-01

Indium phosphide solar cells are more radiation resistant than gallium arsenide and silicon solar cells, and their growth by heteroepitaxy offers additional advantages leading to the development of lighter, mechanically strong and cost-effective cells. Changes in heteroepitaxial InP cell efficiency under 0.5 and 3 MeV proton irradiations are explained by the variation in the minority-carrier diffusion length. The base diffusion length versus proton fluence is calculated by simulating the cell performance. The diffusion length damage coefficient K(L) is plotted as a function of proton fluence.

Measurement of N-Type 6H SiC Minority-Carrier Diffusion Lengths by Electron Bombardment of Schottky Barriers

NASA Technical Reports Server (NTRS)

Hubbard, S. M.; Tabib-Azar, M.; Balley, S.; Rybickid, G.; Neudeck, P.; Raffaelle, R.

2004-01-01

Minority-Carrier diffusion lengths of n-type 6H-SiC were measured using the electron-beam induced current (EBIC) technique. Experimental values of primary beam current, EBIC, and beam voltage were obtained for a variety of SIC samples. This data was used to calculate experimental diode efficiency vs. beam voltage curves. These curves were fit to theoretically calculated efficiency curves, and the diffusion length and metal layer thickness were extracted. The hole diffusion length in n-6H SiC ranged from 0.93 +/- 0.15 microns.

Spheromak Merging Experiments on SSX

NASA Astrophysics Data System (ADS)

Brown, M. R.; Kornack, T. W.; Sollins, P. K.; Luh, W. J.

1997-11-01

Spheromak merging experiments are underway at the Swarthmore Spheromak Experiment (SSX) at Swarthmore College. The spheromaks are formed by identical magnetized plasma guns and equilibrium is established in close fitting 0.5 m diameter copper flux conservers. Partial merging is achieved through openings in the back wall. We observe the formation of a reconnection boundary layer at the interface of the two spheromaks using a linear probe array. The characteristic scale of the flux reversal is about 1 cm (consistent with the diffusion scale δ_diff, the ion Larmor radius ρi and the ion inertial length c/ω_pi). Movies of the formation and evolution of the layer will be presented. Correlations between reconnection events and pulses of soft x-rays and energetic particles will be presented if available. Plans for 2D and 3D imaging of the layer will also be discussed.

Compositional and Ionic-Size Controls on the Diffusion of Divalent Cations in Garnet: Insights from Atomistic Simulations

NASA Astrophysics Data System (ADS)

Carlson, W. D.

2012-12-01

Divalent cations in garnet (Mg, Fe, Mn, Ca) diffuse at rates that depend strongly on the host-crystal composition and on the ionic radius of the diffusant. Understanding of the nanoscale basis for these behaviors comes from atomistic simulations that calculate energies in the static limit for the defects and transition-state configurations associated with each diffusive step. Diffusion of divalent cations requires (a) creation of a cation-vacancy defect in a dodecahedral site and of a charge-compensating oxygen-vacancy defect that may or may not be in close spatial association; (b) except in the case of self-diffusion, creation of an impurity defect in which a foreign atom replaces the normal atom in a dodecahedral site adjacent to the vacancy; and (c) during the diffusive process, motion of the diffusing atom to a 'saddlepoint' position that represents the transition-state configuration. Comparisons of the system's energy in these various states, in structures of different composition and for ions of different ionic size, allows assessment of the nanoscale controls on diffusion kinetics. Molecular-statics calculations quantify defect energies and identify the transition-state configuration: the maximum energy along the diffusion path between two adjacent dodecahedral sites results when the diffusing ion is surrounded symmetrically by the six oxygen atoms that lie between the two sites. Across the range of end-member compositions, self-diffusion coefficients measured at identical conditions, and the tracer diffusivity of a single ion measured at identical conditions, can each vary by five orders of magnitude or more. Measured activation energies for these motions, however, are all equivalent to within ±6%. Calculated activation energies are in agreement with observations, in that they vary by only ±10%. Calculated vacancy-formation energies, on the other hand, are significantly larger in expanded structures; for example, that energy is greater for Prp than for Grs by ~ 470 kJ/mol. Thus in expanded structures, much higher vacancy concentrations can be produced at the same energetic cost, greatly enhancing rates of diffusion. The primary explanation for the more rapid diffusion of divalent cations in structures with larger cell dimensions therefore comes not from reduced saddlepoint strain energies in more compliant structures, but instead from the smaller energy required to create vacancy defects. Diffusivities of divalent cations exhibit a curious parabolic dependence on ionic size: for each structure, an optimally-sized ion exists, close in size to the dominant ion, that exhibits the fastest diffusion. Larger ions — and enigmatically, smaller ions — both diffuse more slowly. Calculated impurity-defect energies show that undersized impurity ions are bound more tightly in their sites, but the effects are too small in comparison to corresponding reductions in strain energy for the transition-state configuration to account for observed rate differences. Calculated vacancy-association energies reveal a slight tendency for vacancies to associate preferentially with larger impurity ions, but again the effect appears to be too small to provide a full explanation for observed behaviors.

Energetic and dynamic analysis of transport of Na + and K + through a cyclic peptide nanotube in water and in lipid bilayers

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

Song, Yeonho; Lee, Ji Hye; Hwang, Hoon

Potential of mean force (PMF) profiles and position-dependent diffusion coefficients of Na + and K + are calculated to elucidate the translocation of ions through a cyclic peptide nanotube, composed of 8 × cyclo[-(D-Leu-Trp) 4-] rings, in water and in hydrated DMPC bilayers. The PMF profiles and PMF decomposition analysis for the monovalent cations show that favorable interactions of the cations with the CPN as well as the lipid bilayer and dehydration free energy penalties are two major competing factors which determine the free energy surface for ion transport through CPNs both in water and lipid bilayers, and that themore » selectivity of CPNs to cations mainly arises from favorable interaction energies of cations with CPNs and lipid bilayers that are more dominant than the dehydration penalties. Calculations of the position-dependent diffusion coefficients and dynamic friction kernels of the cations indicate that the dehydration process along with the molecular rearrangements occurring outside the channel and the coupling of the ion motions with the chain-structured water movements inside the channel lead to decrease of the diffusion coefficients far away from the channel entrance and also reduced coefficients inside the channel. Here the PMF and diffusivity profiles for Na + and K + reveal that the energetics of ion transport through the CPN are governed by global interactions of ions with all the components in the system while the diffusivity of ions through the channel is mostly determined by local interactions of ions with the confined water molecules inside the channel. Comparison of Na + and K + ion distributions based on overdamped Brownian dynamics simulations based on the PMF and diffusivity profiles with the corresponding results from molecular dynamics shows good agreement, indicating accuracy of the Bayesian inference method for determining diffusion coefficients in this application. In addition this work shows that position-dependent diffusion coefficients of ions are required to explain the dynamics and conductance of ions through the CPN properly.« less

Energetic and dynamic analysis of transport of Na + and K + through a cyclic peptide nanotube in water and in lipid bilayers

DOE PAGES

Song, Yeonho; Lee, Ji Hye; Hwang, Hoon; ...

2016-11-04

Potential of mean force (PMF) profiles and position-dependent diffusion coefficients of Na + and K + are calculated to elucidate the translocation of ions through a cyclic peptide nanotube, composed of 8 × cyclo[-(D-Leu-Trp) 4-] rings, in water and in hydrated DMPC bilayers. The PMF profiles and PMF decomposition analysis for the monovalent cations show that favorable interactions of the cations with the CPN as well as the lipid bilayer and dehydration free energy penalties are two major competing factors which determine the free energy surface for ion transport through CPNs both in water and lipid bilayers, and that themore » selectivity of CPNs to cations mainly arises from favorable interaction energies of cations with CPNs and lipid bilayers that are more dominant than the dehydration penalties. Calculations of the position-dependent diffusion coefficients and dynamic friction kernels of the cations indicate that the dehydration process along with the molecular rearrangements occurring outside the channel and the coupling of the ion motions with the chain-structured water movements inside the channel lead to decrease of the diffusion coefficients far away from the channel entrance and also reduced coefficients inside the channel. Here the PMF and diffusivity profiles for Na + and K + reveal that the energetics of ion transport through the CPN are governed by global interactions of ions with all the components in the system while the diffusivity of ions through the channel is mostly determined by local interactions of ions with the confined water molecules inside the channel. Comparison of Na + and K + ion distributions based on overdamped Brownian dynamics simulations based on the PMF and diffusivity profiles with the corresponding results from molecular dynamics shows good agreement, indicating accuracy of the Bayesian inference method for determining diffusion coefficients in this application. In addition this work shows that position-dependent diffusion coefficients of ions are required to explain the dynamics and conductance of ions through the CPN properly.« less

Kinetics of Ta ions penetration into porous low-k dielectrics under bias-temperature stress

NASA Astrophysics Data System (ADS)

He, Ming; Ou, Ya; Wang, Pei-I.; Lu, Toh-Ming

2010-05-01

It is known that Ta, a popular diffusion barrier material, can itself penetrate into low-k dielectrics under bias-temperature stress. In this work, we derived a model which directly correlates the diffusivity of Ta ions to the rate of flatband voltage shift (FBS) of the Ta/methyl silsesquixane (MSQ)/Si capacitors. From our experimentally measured constant FBS rate, the Ta diffusivity and activation energy were determined. It appears that an increase in the porosity of MSQ film enhances the Ta diffusivity but does not affect the associated activation energy. This suggests the Ta ion diffusion is mainly through interconnected pore surfaces.

Efficiency of the intermolecular interaction of salicylic acid neutral form and monoanion with Cd2 + ion studied by methods of absorption and fluorescence

NASA Astrophysics Data System (ADS)

Lavrik, N. L.; Mulloev, N. U.

2018-02-01

The methods of absorption and fluorescence were used to study the efficiency of the interaction between salicylic acid derivatives SAD (neutral SA form and SA monoanion) and Cd2 + ions (in CdBr2 salt) within the range pH = 1.5 ÷ 8. The efficiency was determined from the change in both the absorption band contour and the fluorescence intensity of various SAD forms. It has been established that depending on the SAD form, the addition of CdBr2 to a starting solution leads to the formation of additional absorption for both the shorter wave lengths in the absorption spectrum of the neutral form (at pH < 3) and the longer wave lengths in the absorption spectrum for the HSal- monoanion (at pH > 4). In the fluorescence spectra, the intensity was observed to increase for the neutral SAD form (at pH < 3) and to decrease for the HSal- monoanion (at pH > 4) after addition of CdBr2. The spectral changes were interpreted in the framework of common notions about the effect of three physicochemical factors that determine the interaction between the SAD and the Cd2 + ion and affect the parameters of absorption and fluorescence spectra. These factors are: (1) the decrease in pH after addition of CdBr2 to the SAD solution, (2) the decrease in the efficiency of the H-bonding of SAD molecules to the water ones, and (3) the existence of electrostatic ion-ion interaction between the HSal- monoanion and the Cd2 + ion. The bimolecular fluorescence quenching constants Kq of HSal- monoanion fluorescence quenching by the Cd2 + ion appeared to be substantially less than those of the quenching which would follow either the dynamic (diffusion) or the concentration (static) mechanisms.

The Observed Properties of Liquid Helium at the Saturated Vapor Pressure

NASA Astrophysics Data System (ADS)

Donnelly, Russell J.; Barenghi, Carlo F.

1998-11-01

The equilibrium and transport properties of liquid 4He are deduced from experimental observations at the saturated vapor pressure. In each case, the bibliography lists all known measurements. Quantities reported here include density, thermal expansion coefficient, dielectric constant, superfluid and normal fluid densities, first, second, third, and fourth sound velocities, specific heat, enthalpy, entropy, surface tension, ion mobilities, mutual friction, viscosity and kinematic viscosity, dispersion curve, structure factor, thermal conductivity, latent heat, saturated vapor pressure, thermal diffusivity and Prandtl number of helium I, and displacement length and vortex core parameter in helium II.

A Rayleighian approach for modeling kinetics of ionic transport in polymeric media

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

Kumar, Rajeev

2017-02-14

Here, we report a theoretical approach for analyzing impedance of ionic liquids (ILs) and charged polymers such as polymerized ionic liquids (PolyILs) within linear response. The approach is based on the Rayleigh dissipation function formalism, which provides a computational framework for a systematic study of various factors, including polymer dynamics, in affecting the impedance. We present an analytical expression for the impedance within linear response by constructing a one-dimensional model for ionic transport in ILs/PolyILs. This expression is used to extract mutual diffusion constants, the length scale of mutual diffusion, and thicknesses of a low-dielectric layer on the electrodes frommore » the broadband dielectric spectroscopy (BDS) measurements done for an IL and three PolyILs. Also, static dielectric permittivities of the IL and the PolyILs are determined. The extracted mutual diffusion constants are compared with the self diffusion constants of ions measured using pulse field gradient (PFG) fluorine nuclear magnetic resonance (NMR). For the first time, excellent agreements between the diffusivities extracted from the Electrode Polarization spectra (EPS) of IL/PolyILs and those measured using the PFG-NMR are found, which allows the use of the EPS and the PFG-NMR techniques in a complimentary manner for a general understanding of the ionic transport.« less

H+ diffusion and electrochemical stability of Li1+x+yAlxTi2-xSiyP3-yO12 glass in aqueous Li/air battery electrolytes

NASA Astrophysics Data System (ADS)

Ding, Fei; Xu, Wu; Shao, Yuyan; Chen, Xilin; Wang, Zhiguo; Gao, Fei; Liu, Xingjiang; Zhang, Ji-Guang

2012-09-01

It is well known that LATP (Li1+x+yAlxTi2-xSiyP3-yO12) glass is a good lithium (Li)-ion conductor. However, the interaction between LATP glass and H+ ions in aqueous electrolytes (including the diffusion and surface adsorption of H+ ions) needs to be well understood before the long-term application of LATP glass in an aqueous electrolyte can be realized. In this work, we investigate H+-ion diffusion in LATP glass and their interactions with the glass surface using both experimental and modeling approaches. Our results indicate that the apparent H+-related current observed in the initial cyclic voltammetry scan should be attributed to the adsorption of H+ ions on the LATP glass rather than the bulk diffusion of H+ ions. Furthermore, density functional theory calculations indicate that the H+-ion diffusion energy barrier (3.21 eV) is much higher than that for Li+ ions (0.79 eV) and Na+ ions (0.79 eV) in a NASICON-type LiTi2(PO4)3 material. As a result, H+-ion conductivity in LATP glass is negligible at room temperature. However, significant surface corrosion was found after the LATP glass in a strong alkaline electrolyte. Therefore, to prevent LATP glass from corrosion, appropriate electrolytes must be developed for long-term operation of LATP in aqueous Li-air batteries.

Diffusion lengths of silicon solar cells from luminescence images

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

Wuerfel, P.; Trupke, T.; Puzzer, T.

A method for spatially resolved measurement of the minority carrier diffusion length in silicon wafers and in silicon solar cells is introduced. The method, which is based on measuring the ratio of two luminescence images taken with two different spectral filters, is applicable, in principle, to both photoluminescence and electroluminescence measurements and is demonstrated experimentally by electroluminescence measurements on a multicrystalline silicon solar cell. Good agreement is observed with the diffusion length distribution obtained from a spectrally resolved light beam induced current map. In contrast to the determination of diffusion lengths from one single luminescence image, the method proposed heremore » gives absolute values of the diffusion length and, in comparison, it is much less sensitive to lateral voltage variations across the cell area as caused by local variations of the series resistance. It is also shown that measuring the ratio of two luminescence images allows distinguishing shunts or surface defects from bulk defects.« less

Modulation of Crystal Surface and Lattice by Doping: Achieving Ultrafast Metal-Ion Insertion in Anatase TiO2.

PubMed

Wang, Hsin-Yi; Chen, Han-Yi; Hsu, Ying-Ya; Stimming, Ulrich; Chen, Hao Ming; Liu, Bin

2016-10-26

We report that an ultrafast kinetics of reversible metal-ion insertion can be realized in anatase titanium dioxide (TiO 2 ). Niobium ions (Nb 5+ ) were carefully chosen to dope and drive anatase TiO 2 into very thin nanosheets standing perpendicularly onto transparent conductive electrode (TCE) and simultaneously construct TiO 2 with an ion-conducting surface together with expanded ion diffusion channels, which enabled ultrafast metal ions to diffuse across the electrolyte/solid interface and into the bulk of TiO 2 . To demonstrate the superior metal-ion insertion rate, the electrochromic features induced by ion intercalation were examined, which exhibited the best color switching speed of 4.82 s for coloration and 0.91 s for bleaching among all reported nanosized TiO 2 devices. When performed as the anode for the secondary battery, the modified TiO 2 was capable to deliver a highly reversible capacity of 61.2 mAh/g at an ultrahigh specific current rate of 60 C (10.2 A/g). This fast metal-ion insertion behavior was systematically investigated by the well-controlled electrochemical approaches, which quantitatively revealed both the enhanced surface kinetics and bulk ion diffusion rate. Our study could provide a facile methodology to modulate the ion diffusion kinetics for metal oxides.

Venus ionosphere: photochemical and thermal diffusion control of ion composition.

PubMed

Bauer, S J; Donahue, T M; Hartle, R E; Taylor, H A

1979-07-06

The major photochemical sources and sinks for ten of the ions measured by the ion mass spectrometer on the Pioneer Venus bus and orbiter spacecraft that are consistent with the neutral gas composition measured on the same spacecraft have been identified. The neutral gas temperature (Tn) as a function of solar zenith angle (chi) derived from measured ion distributions in photochemical equilibrium is given by Tn (K) = 323 cos(1/5)chi. Above 200 kilometers, the altitude behavior of ions is generally controlled by plasma diffusion, with important modifications for minor ions due to thermal diffusion resulting from the observed gradients of plasma temperatures. The dayside equilibrium distributions of ions are sometimes perturbed by plasma convection, while lateral transport of ions from the dayside seems to be a major source of the nightside ionosphere.

A three-scale model for ionic solute transport in swelling clays incorporating ion-ion correlation effects

NASA Astrophysics Data System (ADS)

Le, Tien Dung; Moyne, Christian; Murad, Marcio A.

2015-01-01

A new three-scale model is proposed to describe the movement of ionic species of different valences in swelling clays characterized by three separate length scales (nano, micro, and macro) and two levels of porosity (nano- and micropores). At the finest (nano) scale the medium is treated as charged clay particles saturated by aqueous electrolyte solution containing monovalent and divalent ions forming the electrical double layer. A new constitutive law is constructed for the disjoining pressure based on the numerical resolution of non-local problem at the nanoscale which, in contrast to the Poisson-Boltzmann theory for point charge ions, is capable of capturing the short-range interactions between the ions due to their finite size. At the intermediate scale (microscale), the two-phase homogenized particle/electrolyte solution system is represented by swollen clay clusters (or aggregates) with the nanoscale disjoining pressure incorporated in a modified form of Terzaghi's effective principle. At the macroscale, the electro-chemical-mechanical couplings within clay clusters is homogenized with the ion transport in the bulk fluid lying in the micro pores. The resultant macroscopic picture is governed by a three-scale model wherein ion transport takes place in the bulk solution strongly coupled with the mechanics of the clay clusters which play the role of sources/sinks of mass to the bulk fluid associated with ion adsorption/desorption in the electrical double layer at the nanoscale. Within the context of the quasi-steady version of the multiscale model, wherein the electrolyte solution in the nanopores is assumed at instantaneous thermodynamic equilibrium with the bulk fluid in the micropores, we build-up numerically the ion-adsorption isotherms along with the constitutive law of the retardation coefficients of monovalent and divalent ions. In addition, the constitutive law for the macroscopic swelling pressure is reconstructed numerically showing patterns of attractive forces between particles for bivalent ions for particular ranges of bulk concentrations. The three-scale model is applied to numerically simulate ion diffusion in a compacted clay liner underneath a sanitary landfill. Owing to the distinct constitutive behavior of the swelling pressure and partition coefficient for each ionic species, different compaction regimes and diffusion/adsorption patterns, with totally different characteristic time scales, are observed for sodium and calcium migration in the clay liner.

Molecular dynamics simulation of imidazolium-based ionic liquids. I. Dynamics and diffusion coefficient.

PubMed

Kowsari, M H; Alavi, Saman; Ashrafizaadeh, Mahmud; Najafi, Bijan

2008-12-14

Molecular dynamics simulations are used to study the dynamics and transport properties of 12 room-temperature ionic liquids of the 1-alkyl-3-methylimidazolium [amim](+) (alkyl = methyl, ethyl, propyl, and butyl) family with PF(6)(-), NO(3)(-), and Cl(-) counterions. The explicit atom transferable force field of Canongia Lopes et al. [J. Phys. Chem. B 108, 2038 (2004)] is used in the simulations. In this first part, the dynamics of the ionic liquids are characterized by studying the mean-square displacement (MSD) and the velocity autocorrelation function (VACF) for the centers of mass of the ions at 400 K. Trajectory averaging was employed to evaluate the diffusion coefficients at two temperatures from the linear slope of MSD(t) functions in the range of 150-300 ps and from the integration of the VACF(t) functions at 400 K. Detailed comparisons are made between the diffusion results from the MSD and VACF methods. The diffusion coefficients from the integration of the VACFs are closer to experimental values than the diffusion coefficients calculated from the slope of MSDs. Both methods can show good agreement with experiment in predicting relative trends in the diffusion coefficients and determining the role of the cation and anion structures on the dynamical behavior of this family of ionic liquids. The MSD and self-diffusion of relatively heavier imidazolium cations are larger than those of the lighter anions from the Einstein results, except for the case of [bmim][Cl]. The cationic transference number generally decreases with temperature, in good agreement with experiments. For the same anion, the cationic transference numbers decrease with increasing length of the alkyl chain, and for the same cation, the trends in the cationic transference numbers are [NO(3)](-) < [Cl](-) < [PF(6)](-). The trends in the diffusion coefficient in the series of cations with identical anions are [emim](+) > [pmim](+) > [bmim](+) and those for anions with identical cations are [NO(3)](-) > [PF(6)](-) > [Cl](-). The [dmim](+) has a relatively low diffusion coefficient due to its symmetric structure and good packing in the liquid phase. The major factor for determining the magnitude of the self-diffusion is the geometric shape of the anion of the ionic liquid. Other important factors are the ion size and the charge delocalization in the anion.

Red blood cell thickness is evolutionarily constrained by slow, hemoglobin-restricted diffusion in cytoplasm.

PubMed

Richardson, Sarah L; Swietach, Pawel

2016-10-25

During capillary transit, red blood cells (RBCs) must exchange large quantities of CO 2 and O 2 in typically less than one second, but the degree to which this is rate-limited by diffusion through cytoplasm is not known. Gas diffusivity is intuitively assumed to be fast and this would imply that the intracellular path-length, defined by RBC shape, is not a factor that could meaningfully compromise physiology. Here, we evaluated CO 2 diffusivity (D CO2 ) in RBCs and related our results to cell shape. D CO2 inside RBCs was determined by fluorescence imaging of [H + ] dynamics in cells under superfusion. This method is based on the principle that H + diffusion is facilitated by CO 2 /HCO 3 - buffer and thus provides a read-out of D CO2 . By imaging the spread of H + ions from a photochemically-activated source (6-nitroveratraldehyde), D CO2 in human RBCs was calculated to be only 5% of the rate in water. Measurements on RBCs containing different hemoglobin concentrations demonstrated a halving of D CO2 with every 75 g/L increase in mean corpuscular hemoglobin concentration (MCHC). Thus, to compensate for highly-restricted cytoplasmic diffusion, RBC thickness must be reduced as appropriate for its MCHC. This can explain the inverse relationship between MCHC and RBC thickness determined from >250 animal species.

Red blood cell thickness is evolutionarily constrained by slow, hemoglobin-restricted diffusion in cytoplasm

PubMed Central

Richardson, Sarah L.; Swietach, Pawel

2016-01-01

During capillary transit, red blood cells (RBCs) must exchange large quantities of CO2 and O2 in typically less than one second, but the degree to which this is rate-limited by diffusion through cytoplasm is not known. Gas diffusivity is intuitively assumed to be fast and this would imply that the intracellular path-length, defined by RBC shape, is not a factor that could meaningfully compromise physiology. Here, we evaluated CO2 diffusivity (DCO2) in RBCs and related our results to cell shape. DCO2 inside RBCs was determined by fluorescence imaging of [H+] dynamics in cells under superfusion. This method is based on the principle that H+ diffusion is facilitated by CO2/HCO3− buffer and thus provides a read-out of DCO2. By imaging the spread of H+ ions from a photochemically-activated source (6-nitroveratraldehyde), DCO2 in human RBCs was calculated to be only 5% of the rate in water. Measurements on RBCs containing different hemoglobin concentrations demonstrated a halving of DCO2 with every 75 g/L increase in mean corpuscular hemoglobin concentration (MCHC). Thus, to compensate for highly-restricted cytoplasmic diffusion, RBC thickness must be reduced as appropriate for its MCHC. This can explain the inverse relationship between MCHC and RBC thickness determined from >250 animal species. PMID:27777410

Diffusion length variation in 0.5- and 3-MeV-proton-irradiated, heteroepitaxial indium phosphide solar cells

NASA Technical Reports Server (NTRS)

Jain, Raj K.; Weinberg, Irving; Flood, Dennis J.

1993-01-01

Indium phosphide (InP) solar cells are more radiation resistant than gallium arsenide (GaAs) and silicon (Si) solar cells, and their growth by heteroepitaxy offers additional advantages leading to the development of light weight, mechanically strong, and cost-effective cells. Changes in heteroepitaxial InP cell efficiency under 0.5- and 3-MeV proton irradiations have been explained by the variation in the minority-carrier diffusion length. The base diffusion length versus proton fluence was calculated by simulating the cell performance. The diffusion length damage coefficient, K(sub L), was also plotted as a function of proton fluence.

Molecular dynamics simulations of lithium silicate/vanadium pentoxide interfacial lithium ion diffusion in thin film lithium ion-conducting devices

NASA Astrophysics Data System (ADS)

Li, Weiqun

The lithium ion diffusion behavior and mechanism in the glassy electrolyte and the electrolyte/cathode interface during the initial stage of lithium ion diffusing from electrolyte into cathode were investigated using Molecular Dynamics simulation technique. Lithium aluminosilicate glass electrolytes with different R (ratio of the concentration of Al to Li) were simulated. The structural features of the simulated glasses are analyzed using Radial Distribution Function (RDF) and Pair Distribution Function (PDF). The diffusion coefficient and activation energy of lithium ion diffusion in simulated lithium aluminosilicate glasses were calculated and the values are consistent with those in experimental glasses. The behavior of lithium ion diffusion from the glassy electrolyte into a polycrystalline layered intercalation cathode has been studied. The solid electrolyte was a model lithium silicate glass while the cathode was a nanocrystalline vanadia with amorphous V2O5 intergranular films (IGF) between the V2O5 crystals. Two different orientations between the V2O5 crystal planes are presented for lithium ion intercalation via the amorphous vanadia IGF. A series of polycrystalline vanadia cathodes with 1.3, 1.9, 2.9 and 4.4 nm thickness IGFs were simulated to examine the effects of the IGF thickness on lithium ion transport in the polycrystalline vanadia cathodes. The simulated results showed that the lithium ions diffused from the glassy electrolyte into the IGF of the polycrystalline vanadia cathode and then part of those lithium ions diffused into the crystalline V2O5 from the IGF. The simulated results also showed an ordering of the vanadium ion structure in the IGF near the IGF/V2 O5 interface. The ordering structure still existed with glass former silica additive in IGF. Additionally, 2.9 run is suggested to be the optimal thickness of the IGF, which is neither too thick to decrease the capacity of the cathode nor too thin to impede the transport of lithium from glassy electrolyte into the cathode. Parallel molecular dynamic simulation technique was also used for a larger electrolyte/cathode interface system, which include more atoms and more complicated microstructures. Simulation results from larger electrolyte/cathode interface system prove that there is no size effect on simulation of smaller electrolyte/cathode interface system from statistical point of view.

Magnetic Reconnection Dynamics in the Presence of Low-energy Ion Component: PIC Simulations of Hidden Particle Population

NASA Astrophysics Data System (ADS)

Khotyaintsev, Y. V.; Divin, A. V.; Toledo Redondo, S.; Andre, M.; Vaivads, A.; Markidis, S.; Lapenta, G.

2015-12-01

Magnetospheric and astrophysical plasmas are rarely in the state of thermal equilibrium. Plasma distribution functions may contain beams, supra-thermal tails, multiple ion and electron populations which are not thermalized over long time scales due to the lack of collisions between particles. In particular, the equatorial region of the dayside Earth's magnetosphere is often populated by plasma containing hot and cold ion components of comparable densities [Andre and Cully, 2012], and such ion distribution alters properties of the magnetic reconnection regions at the magnetopause [Toledo-Redondo et. al., 2015]. Motivated by these recent findings and also by fact that this region is one of the targets of the recently launched MMS mission, we performed 2D PIC simulations of magnetic reconnection in collisionless plasma with hot and cold ion components. We used a standard Harris current sheet, to which a uniform cold ion background is added. We found that introduction of the cold component modifies the structure of reconnection diffusion region. Diffusion region displays three-scale structure, with the cold Ion Diffusion Region (cIDR) scale appearing in-between the Electron Diffusion Region (EDR) and Ion Diffusion Region (IDR) scales. Structure and strength of the Hall magnetic field depends weakly on cold ion temperature or density, and is rather controlled by the conditions (B, n) upstream the reconnection region. The cold ions are accelerated predominantly transverse to the magnetic field by the Hall electric fields inside the IDR, leading to a large ion pressure anisotropy, which is unstable to ion Weibel-type or mirror-type mode. On the opposite, acceleration of cold ions is mostly field-aligned at the reconnection jet fronts downstream the X-line, producing intense ion phase-space holes there. Despite comparable reconnection rates produced , we find that the overall evolution of reconnection in presence of cold ion population is more dynamic compared to the case with a single hot ion component.

Oxide ion diffusion mechanism related to Co and Fe ions in (Ba0.5Sr0.5)(Co0.8Fe0.2)O3-δ using in-situ X-ray absorption spectroscopy

NASA Astrophysics Data System (ADS)

Itoh, Takanori; Imai, Hideto

2018-03-01

The time changes of the white line and pre-edge intensities of Co and Fe K-edge in (Ba0.5Sr0.5)(Co0.8Fe0.2)O3-δ (BSCF) were observed to estimate the oxide ion diffusion related to Co and Fe ions by using in - situ X-ray absorption spectroscopy (XAS) during oxidation. The 20 μm self-standing BSCF film was prepared for in - situ XAS measurements. The time changes of absorption were fitted to the exponential decay function with two terms. The longer relaxation time (τ), related to the oxide ion diffusion during the oxidation of BSCF, is dependent on temperature. The oxide ion diffusion coefficients (D) were calculated from the τ s estimated by in - situ XAS. The values of the activation energy (Ea) for D related to Co K-edge white line, Co pre-edge, and Fe pre-edge were 1.8-2.0 eV. The value of Ea for D related to Fe K-edge white line, however, was higher than other absorption values at approximately 2.3 eV. We discussed the oxide ion diffusion mechanism related to Co and Fe ions in BSCF using in - situ XAS.

Predicting Salt Permeability Coefficients in Highly Swollen, Highly Charged Ion Exchange Membranes.

PubMed

Kamcev, Jovan; Paul, Donald R; Manning, Gerald S; Freeman, Benny D

2017-02-01

This study presents a framework for predicting salt permeability coefficients in ion exchange membranes in contact with an aqueous salt solution. The model, based on the solution-diffusion mechanism, was tested using experimental salt permeability data for a series of commercial ion exchange membranes. Equilibrium salt partition coefficients were calculated using a thermodynamic framework (i.e., Donnan theory), incorporating Manning's counterion condensation theory to calculate ion activity coefficients in the membrane phase and the Pitzer model to calculate ion activity coefficients in the solution phase. The model predicted NaCl partition coefficients in a cation exchange membrane and two anion exchange membranes, as well as MgCl 2 partition coefficients in a cation exchange membrane, remarkably well at higher external salt concentrations (>0.1 M) and reasonably well at lower external salt concentrations (<0.1 M) with no adjustable parameters. Membrane ion diffusion coefficients were calculated using a combination of the Mackie and Meares model, which assumes ion diffusion in water-swollen polymers is affected by a tortuosity factor, and a model developed by Manning to account for electrostatic effects. Agreement between experimental and predicted salt diffusion coefficients was good with no adjustable parameters. Calculated salt partition and diffusion coefficients were combined within the framework of the solution-diffusion model to predict salt permeability coefficients. Agreement between model and experimental data was remarkably good. Additionally, a simplified version of the model was used to elucidate connections between membrane structure (e.g., fixed charge group concentration) and salt transport properties.

Mechanisms of Stochastic Diffusion of Energetic Ions in Spherical Tori

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

Ya.I. Kolesnichenko; R.B. White; Yu.V. Yakovenko

Stochastic diffusion of the energetic ions in spherical tori is considered. The following issues are addressed: (I) Goldston-White-Boozer diffusion in a rippled field; (ii) cyclotron-resonance-induced diffusion caused by the ripple; (iii) effects of non-conservation of the magnetic moment in an axisymmetric field. It is found that the stochastic diffusion in spherical tori with a weak magnetic field has a number of peculiarities in comparison with conventional tokamaks; in particular, it is characterized by an increased role of mechanisms associated with non-conservation of the particle magnetic moment. It is concluded that in current experiments on National Spherical Torus eXperiment (NSTX) themore » stochastic diffusion does not have a considerable influence on the confinement of energetic ions.« less

Measurement of Diffusion in Entangled Rod-Coil Triblock Copolymers

NASA Astrophysics Data System (ADS)

Olsen, B. D.; Wang, M.

2012-02-01

Although rod-coil block copolymers have attracted increasing attention for functional nanomaterials, their dynamics relevant to self-assembly and processing have not been widely investigated. Because the rod and coil blocks have different reptation behavior and persistence lengths, the mechanism by which block copolymers will diffuse is unclear. In order to understand the effect of the rigid block on reptation, tracer diffusion of a coil-rod-coil block copolymer through an entangled coil polymer matrix was experimentally measured. A monodisperse, high molecular weight coil-rod-coil triblock was synthesized using artificial protein engineering to prepare the helical rod and bioconjugaiton of poly(ethylene glycol) coils to produce the final triblock. Diffusion measurements were performed using Forced Rayleigh scattering (FRS), at varying ratios of the rod length to entanglement length, where genetic engineering is used to control the protein rod length and the polymer matrix concentration controls the entanglement length. As compared to PEO homopolymer tracers, the coil-rod-coil triblocks show markedly slower diffusion, suggesting that the mismatch between rod and coil reptation mechanisms results in hindered diffusion of these molecules in the entangled state.

Impact of implanted phosphorus on the diffusivity of boron and its applicability to silicon solar cells

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

Schrof, Julian, E-mail: julian.schrof@ise.fraunhofer.de; Müller, Ralph; Benick, Jan

2015-07-28

Boron diffusivity reduction in extrinsically doped silicon was investigated in the context of a process combination consisting of BBr{sub 3} furnace diffusion and preceding Phosphorus ion implantation. The implantation of Phosphorus leads to a substantial blocking of Boron during the subsequent Boron diffusion. First, the influences of ion implantation induced point defects as well as the initial P doping on B diffusivity were studied independently. Here, it was found that not the defects created during ion implantation but the P doping itself results in the observed B diffusion retardation. The influence of the initial P concentration was investigated in moremore » detail by varying the P implantation dose. A secondary ion mass spectrometry (SIMS) analysis of the BSG layer after the B diffusion revealed that the B diffusion retardation is not due to potential P content in the BSG layer but rather caused by the n-type doping of the crystalline silicon itself. Based on the observations the B diffusion retardation was classified into three groups: (i) no reduction of B diffusivity, (ii) reduced B diffusivity, and (iii) blocking of the B diffusion. The retardation of B diffusion can well be explained by the phosphorus doping level resulting in a Fermi level shift and pairing of B and P ions, both reducing the B diffusivity. Besides these main influences, there are probably additional transient phenomena responsible for the blocking of boron. Those might be an interstitial transport mechanism caused by P diffusion that reduces interstitial concentration at the surface or the silicon/BSG interface shift due to oxidation during the BBr{sub 3} diffusion process. Lifetime measurements revealed that the residual (non-blocked) B leads to an increased dark saturation current density in the P doped region. Nevertheless, electrical quality is on a high level and was further increased by reducing the B dose as well as by removing the first few nanometers of the silicon surface after the BBr{sub 3} diffusion.« less

Single ion dynamics in molten sodium bromide

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

Alcaraz, O.; Trullas, J.; Demmel, F.

We present a study on the single ion dynamics in the molten alkali halide NaBr. Quasielastic neutron scattering was employed to extract the self-diffusion coefficient of the sodium ions at three temperatures. Molecular dynamics simulations using rigid and polarizable ion models have been performed in parallel to extract the sodium and bromide single dynamics and ionic conductivities. Two methods have been employed to derive the ion diffusion, calculating the mean squared displacements and the velocity autocorrelation functions, as well as analysing the increase of the line widths of the self-dynamic structure factors. The sodium diffusion coefficients show a remarkable goodmore » agreement between experiment and simulation utilising the polarisable potential.« less

Evolution of structural and magnetic properties of amorphous CoFeB film with thermal annealing

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

Gupta, Ranjeeta; Gupta, Ajay; Gupta, Mukul

2013-08-14

Evolution of structural and magnetic properties of amorphous Co{sub 68}Fe{sub 14}B{sub 18} thin film with thermal annealing has been studied. Initially, the film exhibits a structural relaxation as evidenced by annihilation of excess free volume and an increase in topological short range order. Annealing at 473 K results in precipitation of primary phase followed by formation of boride phase at a still higher temperature of 598 K. Iron preferentially precipitates out in the primary phase, resulting in the formation of bcc Co{sub 58}Fe{sub 41}. This suggests an affinity of Co towards B. Such affinity between Co and B is evidencedmore » even in the as-deposited film, using hard x-ray photoelectron spectroscopy (HAXPES) measurements. As-deposited film exhibits an in-plane uniaxial magnetic anisotropy which disappears at a temperature well beyond crystallization temperature, suggesting that the origin of anisotropy is mainly a chemical short range order in the system. Variation in the coercivity with thermal annealing can be understood in terms of random anisotropy model. Precise measurement of Fe self-diffusion using neutron reflectivity shows that diffusion length associated with annihilation of excess free volume in the film is about 0.5 nm. This agrees with the length scale of structural fluctuations in amorphous alloys. Secondary ion mass spectrometry measurements show that thermal annealing results in depletion of B in the region of the interface with the substrate, with associated faster Fe diffusion in this region. This faster diffusion of Fe may be a possible cause of preferential crystallization of the film in the interfacial region as seen in some earlier studies.« less

Inter-cusp Ion and Electron Transport in a Nstar-derivative Ion Thruster

NASA Technical Reports Server (NTRS)

Foster, John E.

2001-01-01

Diffusion of electrons and ions to anode surfaces between the magnetic cusps of a NASA Solar Electric Propulsion Technology Application Readiness ion thruster has been characterized. Ion flux measurements were made at the anode and at the screen grid electrode. The measurements indicated that the average ion current density at the anode and at the screen grid were approximately equal. Additionally, it was found that the electron flux to the anode between cusps is best described by the classical cross-field diffusion coefficient.

Ion and Electron Transport in an Nstar-derivative Ion Thruster. Revised

NASA Technical Reports Server (NTRS)

Foster, John E.

2001-01-01

Diffusion of electrons and ions to anode surfaces between the magnetic cusps of a NASA Solar Electric Propulsion Technology Application Readiness ion thruster has been characterized. Ion flux measurements were made at the anode and at the screen grid electrode. The measurements indicated that the average ion current density at the anode and at the screen grid were approximately equal. Additionally, it was found that the electron flux to the anode between cusps is best described by the classical cross-field diffusion coefficient.

Secondary Ion Mass Spectrometry for Mg Tracer Diffusion: Issues and Solutions

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

Tuggle, Jay; Giordani, Andrew; Kulkarni, Nagraj S

2014-01-01

A Secondary Ion Mass Spectrometry (SIMS) method has been developed to measure stable Mg isotope tracer diffusion. This SIMS method was then used to calculate Mg self- diffusivities and the data was verified against historical data measured using radio tracers. The SIMS method has been validated as a reliable alternative to the radio-tracer technique for the measurement of Mg self-diffusion coefficients and can be used as a routine method for determining diffusion coefficients.

Recent development of a jet-diffuser ejector

NASA Technical Reports Server (NTRS)

Alperin, M.; Wu, J. J.

1980-01-01

The paper considers thrust augmenting ejectors in which the processes of mixing and diffusion are partly carried out downstream of the ejector solid surfaces. A jet sheet surrounding the periphery of a widely diverging diffuser prevents separation and forms a gaseous, curved surface to provide effective diffuser ratio and additional length for mixing of primary and induced flows. Three-dimensional potential flow methods achieved a large reduction in the length of the associated solid surface; primary nozzle design further reduced the volume required by the jet-diffuser ejectors, resulting in thrust augmentation in excess of two, and an overall length of about 2 1/2 times the throat width.

Analysis and evalaution in the production process and equipment area of the low-cost solar array project. [including modifying gaseous diffusion and using ion implantation

NASA Technical Reports Server (NTRS)

Goldman, H.; Wolf, M.

1979-01-01

The manufacturing methods for photovoltaic solar energy utilization are assessed. Economic and technical data on the current front junction formation processes of gaseous diffusion and ion implantation are presented. Future proposals, including modifying gaseous diffusion and using ion implantation, to decrease the cost of junction formation are studied. Technology developments in current processes and an economic evaluation of the processes are included.

Path-length-resolved dynamic light scattering in highly scattering random media: The transition to diffusing wave spectroscopy

NASA Astrophysics Data System (ADS)

Bizheva, Kostadinka K.; Siegel, Andy M.; Boas, David A.

1998-12-01

We used low coherence interferometry to measure Brownian motion within highly scattering random media. A coherence gate was applied to resolve the optical path-length distribution and to separate ballistic from diffusive light. Our experimental analysis provides details on the transition from single scattering to light diffusion and its dependence on the system parameters. We found that the transition to the light diffusion regime occurs at shorter path lengths for media with higher scattering anisotropy or for larger numerical aperture of the focusing optics.

Synthesis of NiO nanotubes for use as negative electrodes in lithium ion batteries

NASA Astrophysics Data System (ADS)

Needham, S. A.; Wang, G. X.; Liu, H. K.

Nickel oxide (NiO) nanotubes have been produced for the first time via a template processing method. The synthesis involved a two step chemical reaction in which nickel hydroxide (Ni(OH) 2) nanotubes were firstly formed within the walls of an anodic aluminium oxide (AAO) template. The template was then dissolved away using concentrated NaOH, and the freed nanotubes were converted to NiO by heat treatment in air at 350 °C. Individual nanotubes measured 60 μm in length with a 200 nm outer diameter and a wall thickness of 20-30 nm. The NiO nanotube powder was used in Li-ion cells for assessment of the lithium storage ability. Preliminary testing indicates that the cells demonstrate controlled and sustainable lithium diffusion after the formation of an SEI. Reversible capacities in the 300 mAh g -1 range were typical.

Based on Cu as framework constructed nanoporous CuO/Cu composites by a dealloy method for sodium-ion battery anode

NASA Astrophysics Data System (ADS)

Zheng, Tian; Li, Guangda; Li, Deming; Meng, Xiangeng

2018-05-01

Nanoporous CuO/Cu composites with a continuous channel structure were fabricated through a corroding Cu-Al alloy process. The width of the continuous channels was about 20 50 nm. Nanoporous structure could effectively sustain the volume expansion during the Na+ insertion/extraction process and shorten the Na+ diffusion length as well, which thus helps improve the Na+ storage performance. Moreover, the nanoporous structure can improve the contact area between the electrolyte and the electrode, leading to an increment in the number of Na+ insertion/extraction sites. When used as the anode for sodium-ion batteries, the CuO/Cu exhibited an initial capacity of 580 mAh g-1, and the capacity is maintained at 200 mAh g-1 after 200 cycles at a current density of 500 mA g-1.

Transport, charge exchange and loss of energetic heavy ions in the earth's radiation belts - Applicability and limitations of theory

NASA Technical Reports Server (NTRS)

Spjeldvik, W. N.

1981-01-01

Computer simulations of processes which control the relative abundances of ions in the trapping regions of geospace are compared with observations from discriminating ion detectors. Energy losses due to Coulomb collisions between ions and exospheric neutrals are considered, along with charge exchange losses and internal charge exchanges. The time evolution of energetic ion fluxes of equatorially mirroring ions under radial diffusion is modelled to include geomagnetic and geoelectric fluctutations. Limits to the validity of diffusion transport theory are discussed, and the simulation is noted to contain provisions for six ionic charge states and the source effect on the radiation belt oxygen ion distributions. Comparisons are made with ion flux data gathered on Explorer 45 and ISEE-1 spacecraft and results indicate that internal charge exchanges cause the radiation belt ion charge state to be independent of source charge rate characteristics, and relative charge state distribution is independent of the radially diffusive transport rate below the charge state redistribution zone.

Separation of copper ions from iron ions using PVA-g-(acrylic acid/N-vinyl imidazole) membranes prepared by radiation-induced grafting.

PubMed

Ajji, Zaki; Ali, Ali M

2010-01-15

Acrylic acid (AAc), N-vinyl imidazole (Azol) and their binary mixtures were graft copolymerized onto poly(vinyl alcohol) membranes using gamma irradiation. The ability of the grafted membranes to separate Cu ions from Fe ions was investigated with respect to the grafting yield and the pH of the feed solution. The data showed that the diffusion of copper ions from the feed compartment to the receiver compartment depends on the grafting yield of the membranes and the pH of the feed solution. To the contrary, iron ions did not diffuse through the membranes of all grafting yields. However, a limited amount of iron ions diffused in strong acidic medium. This study shows that the prepared membranes could be considered for the separation of copper ions from iron ions. The temperature of thermal decomposition of pure PVA-g-AAc/Azol membrane, PVA-g-AAc/Azol membrane containing copper ions, and PVA-g-AAc/Azol membrane containing iron ions were determined using TGA analyzer. It was shown that the presence of Cu and Fe ions increases the decomposition temperature, and the membranes bonded with iron ions are more stable than those containing copper ions.

Metal-Organic Framework Derived Porous Hollow Co3O4/N-C Polyhedron Composite with Excellent Energy Storage Capability.

PubMed

Kang, Wenpei; Zhang, Yu; Fan, Lili; Zhang, Liangliang; Dai, Fangna; Wang, Rongming; Sun, Daofeng

2017-03-29

Metal-organic frameworks (MOFs) derived transition metal oxides exhibit enhanced performance in energy conversion and storage. In this work, porous hollow Co 3 O 4 with N-doped carbon coating (Co 3 O 4 /N-C) polyhedrons have been prepared using cobalt-based MOFs as a sacrificial template. Assembled from tiny nanoparticles and N-doped carbon coating, Co 3 O 4 /N-C composite shortens the diffusion length of Li + /Na + ions and possesses an enhanced conductivity. And the porous and hollow structure is also beneficial for tolerating volume changes in the galvanostatic discharge/charge cycles as lithium/sodium battery anode materials. As a result, it can exhibit impressive cycling and rating performance. At 1000 mA g -1 , the specific capacities maintaine stable values of ∼620 mAh g -1 within 2000 cycles as anodes in lithium ion battery, while the specific capacity keeps at 229 mAh g -1 within 150 cycles as sodium ion battery anode. Our work shows comparable cycling performance in lithium ion battery but even better high-rate cycling stability as sodium ion battery anode. Herein, we provide a facile method to construct high electrochemical performance oxide/N-C composite electrode using new MOFs as sacrificial template.

Ion sound instability driven by the ion flows

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

Koshkarov, O., E-mail: koshkarov.alexandr@usask.ca; Smolyakov, A. I.; National Research Centre

2015-05-15

Ion sound instabilities driven by the ion flow in a system of a finite length are considered by analytical and numerical methods. The ion sound waves are modified by the presence of stationary ion flow resulting in negative and positive energy modes. The instability develops due to coupling of negative and positive energy modes mediated by reflections from the boundary. It is shown that the wave dispersion due to deviation from quasineutrality is crucial for the stability. In finite length system, the dispersion is characterized by the length of the system measured in units of the Debye length. The instabilitymore » is studied analytically and the results are compared with direct, initial value numerical simulations.« less

Comparative Study of Ether-Based Electrolytes for Application in Lithium-Sulfur Battery.

PubMed

Carbone, Lorenzo; Gobet, Mallory; Peng, Jing; Devany, Matthew; Scrosati, Bruno; Greenbaum, Steve; Hassoun, Jusef

2015-07-01

Herein, we report the characteristics of electrolytes using various ether-solvents with molecular composition CH3O[CH2CH2O]nCH3, differing by chain length, and LiCF3SO3 as the lithium salt. The electrolytes, considered as suitable media for lithium-sulfur batteries, are characterized in terms of thermal properties (TGA, DSC), lithium ion conductivity, lithium interface stability, cyclic voltammetry, self-diffusion properties of the various components, and lithium transference number measured by NMR. Furthermore, the electrolytes are characterized in lithium cells using a sulfur-carbon composite cathode by galvanostatic charge-discharge tests. The results clearly evidence the influence of the solvent chain length on the species mobility within the electrolytes that directly affects the behavior in lithium sulfur cell. The results may effectively contribute to the progress of an efficient, high-energy lithium-sulfur battery.

An ion displacement membrame model.

PubMed

Hladky, S B; Harris, J D

1967-09-01

The usual assumption in treating the diffusion of ions in an electric field has been that the movement of each ion is independent of the movement of the others. The resulting equation for diffusion by a succession of spontaneous jumps has been well stated by Parlin and Eyring. This paper will consider one simple case in which a different assumption is reasonable. Diffusion of monovalent positive ions is considered as a series of jumps from one fixed negative site to another. The sites are assumed to be full (electrical neutrality). Interaction occurs by the displacement of one ion by another. An ion leaves a site if and only if another ion, not necessarily of the same species, attempts to occupy the same site. Flux ratios and net fluxes are given as functions of the electrical potential, concentration ratios, and number of sites encountered in crossing the membrane. Quantitative comparisons with observations of Hodgkin and Keynes are presented.

Chaotic ion motion in magnetosonic plasma waves

NASA Technical Reports Server (NTRS)

Varvoglis, H.

1984-01-01

The motion of test ions in a magnetosonic plasma wave is considered, and the 'stochasticity threshold' of the wave's amplitude for the onset of chaotic motion is estimated. It is shown that for wave amplitudes above the stochasticity threshold, the evolution of an ion distribution can be described by a diffusion equation with a diffusion coefficient D approximately equal to 1/v. Possible applications of this process to ion acceleration in flares and ion beam thermalization are discussed.

Effect of carbon ion irradiation on Ag diffusion in SiC

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

Leng, Bin; Ko, Hyunseok; Gerczak, Tyler J.

Transport of Ag fission product through the silicon-carbide (SiC) diffusion barrier layer in TRISO fuel particles is of considerable interest given the application of this fuel type in high temperature gas-cooled reactor (HTGR) and other future reactor concepts. The reactor experiments indicate that radiation may play an important role in release of Ag; however so far the isolated effect of radiation on Ag diffusion has not been investigated in controlled laboratory experiments. In this study, we investigate the diffusion couples of Ag and polycrystalline 3C–SiC, as well as Ag and single crystalline 4H–SiC samples before and after irradiation with Cmore » 2+ ions. The diffusion couple samples were exposed to temperatures of 1500 °C, 1535 °C, and 1569 °C, and the ensuing diffusion profiles were analyzed by secondary ion mass spectrometry (SIMS). We found that diffusion coefficients calculated from these measurements indicate that Ag diffusion was greatly enhanced by carbon irradiation due to a combined effect of radiation damage on diffusion and the presence of grain boundaries in polycrystalline SiC samples.« less

Effect of carbon ion irradiation on Ag diffusion in SiC

DOE PAGES

Leng, Bin; Ko, Hyunseok; Gerczak, Tyler J.; ...

2015-11-14

Transport of Ag fission product through the silicon-carbide (SiC) diffusion barrier layer in TRISO fuel particles is of considerable interest given the application of this fuel type in high temperature gas-cooled reactor (HTGR) and other future reactor concepts. The reactor experiments indicate that radiation may play an important role in release of Ag; however so far the isolated effect of radiation on Ag diffusion has not been investigated in controlled laboratory experiments. In this study, we investigate the diffusion couples of Ag and polycrystalline 3C–SiC, as well as Ag and single crystalline 4H–SiC samples before and after irradiation with Cmore » 2+ ions. The diffusion couple samples were exposed to temperatures of 1500 °C, 1535 °C, and 1569 °C, and the ensuing diffusion profiles were analyzed by secondary ion mass spectrometry (SIMS). We found that diffusion coefficients calculated from these measurements indicate that Ag diffusion was greatly enhanced by carbon irradiation due to a combined effect of radiation damage on diffusion and the presence of grain boundaries in polycrystalline SiC samples.« less

Measurement of Minority Charge Carrier Diffusion Length in Gallium Nitride Nanowires Using Electron Beam Induced Current (EBIC)

DTIC Science & Technology

2009-12-01

MINORITY CHARGE CARRIER DIFFUSION LENGTH IN GALLIUM NITRIDE NANOWIRES USING ELECTRON BEAM INDUCED CURRENT (EBIC) by Chiou Perng Ong December... Gallium Nitride Nanowires Using Electron Beam Induced Current (EBIC) 6. AUTHOR(S) Ong, Chiou Perng 5. FUNDING NUMBERS DMR 0804527 7. PERFORMING...CARRIER DIFFUSION LENGTH IN GALLIUM NITRIDE NANOWIRES USING ELECTRON BEAM INDUCED CURRENT (EBIC) Chiou Perng Ong Major, Singapore Armed Forces B

Near Field Imaging of Charge Transport in Gallium Nitride and Zinc Oxide Nanostructures

DTIC Science & Technology

2010-12-01

distribution of recombination luminescence . While researching the diffusion lengths of these structures, the author also observed that many of these... diffusion length of these structures can be extracted. E. NEAR FIELD IMAGING WITH NEAR FIELD SCANNING OPTICAL MICROSCOPY Near field scanning optical...composite AFM/NSOM images and the slope analysis to extract Ld, the minority carrier diffusion length , as described in Chapter 3. In all cases, excitation

Electrochemical ion transfer across liquid/liquid interfaces confined within solid-state micropore arrays--simulations and experiments.

PubMed

Strutwolf, Jörg; Scanlon, Micheál D; Arrigan, Damien W M

2009-01-01

Miniaturised liquid/liquid interfaces provide benefits for bioanalytical detection with electrochemical methods. In this work, microporous silicon membranes which can be used for interface miniaturisation were characterized by simulations and experiments. The microporous membranes possessed hexagonal arrays of pores with radii between 10 and 25 microm, a pore depth of 100 microm and pore centre-to-centre separations between 99 and 986 microm. Cyclic voltammetry was used to monitor ion transfer across arrays of micro-interfaces between two immiscible electrolyte solutions (microITIES) formed at these membranes, with the organic phase present as an organogel. The results were compared to computational simulations taking into account mass transport by diffusion and encompassing diffusion to recessed interfaces and overlapped diffusion zones. The simulation and experimental data were both consistent with the situation where the location of the liquid/liquid (l/l) interface was on the aqueous side of the silicon membrane and the pores were filled with the organic phase. While the current for the forward potential scan (transfer of the ion from the aqueous phase to the organic phase) was strongly dependent on the location of the l/l interface, the current peak during the reverse scan (transfer of the ion from the organic phase to the aqueous phase) was influenced by the ratio of the transferring ion's diffusion coefficients in both phases. The diffusion coefficient of the transferring ion in the gelified organic phase was ca. nine times smaller than in the aqueous phase. Asymmetric cyclic voltammogram shapes were caused by the combined effect of non-symmetrical diffusion (spherical and linear) and by the inequality of the diffusion coefficient in both phases. Overlapping diffusion zones were responsible for the observation of current peaks instead of steady-state currents during the forward scan. The characterisation of the diffusion behaviour is an important requirement for application of these silicon membranes in electroanalytical chemistry.

Effect of upstream ULF waves on the energetic ion diffusion at the earth's foreshock: Theory, Simulation, and Observations

NASA Astrophysics Data System (ADS)

Otsuka, F.; Matsukiyo, S.; Kis, A.; Hada, T.

2017-12-01

Spatial diffusion of energetic particles is an important problem not only from a fundamental physics point of view but also for its application to particle acceleration processes at astrophysical shocks. Quasi-linear theory can provide the spatial diffusion coefficient as a function of the wave turbulence spectrum. By assuming a simple power-law spectrum for the turbulence, the theory has been successfully applied to diffusion and acceleration of cosmic rays in the interplanetary and interstellar medium. Near the earth's foreshock, however, the wave spectrum often has an intense peak, presumably corresponding to the upstream ULF waves generated by the field-aligned beam (FAB). In this presentation, we numerically and theoretically discuss how the intense ULF peak in the wave spectrum modifies the spatial parallel diffusion of energetic ions. The turbulence is given as a superposition of non-propagating transverse MHD waves in the solar wind rest frame, and its spectrum is composed of a piecewise power-law spectrum with different power-law indices. The diffusion coefficients are then estimated by using the quasi-linear theory and test particle simulations. We find that the presence of the ULF peak produces a concave shape of the diffusion coefficient when it is plotted versus the ion energy. The results above are used to discuss the Cluster observations of the diffuse ions at the Earth's foreshock. Using the density gradients of the energetic ions detected by the Cluster spacecraft, we determine the e-folding distances, equivalently, the spatial diffusion coefficients, of ions with their energies from 10 to 32 keV. The observed e-folding distances are significantly smaller than those estimated in the past statistical studies. This suggests that the particle acceleration at the foreshock can be more efficient than considered before. Our test particle simulation explains well the small estimate of the e-folding distances, by using the observed wave turbulence spectrum near the shock.

Determination of charge-carrier diffusion length in the photosensing layer of HgCdTe n-on-p photovoltaic infrared focal plane array detectors

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

Vishnyakov, A. V.; Stuchinsky, V. A., E-mail: stuchin@isp.nsc.ru; Brunev, D. V.

2014-03-03

In the present paper, we propose a method for evaluating the bulk diffusion length of minority charge carriers in the photosensing layer of photovoltaic focal plane array (FPA) photodetectors. The method is based on scanning a strip-shaped illumination spot with one of the detector diodes at a low level of photocurrents j{sub ph} being registered; such scanning provides data for subsequent analysis of measured spot-scan profiles within a simple diffusion model. The asymptotic behavior of the effective (at j{sub ph} ≠ 0) charge-carrier diffusion length l{sub d} {sub eff} as a function of j{sub ph} for j{sub ph} → 0 inferred frommore » our experimental data proved to be consistent with the behavior of l{sub d} {sub eff} vs j{sub ph} as predicted by the model, while the obtained values of the bulk diffusion length of minority carriers (electrons) in the p-HgCdTe film of investigated HgCdTe n-on-p FPA photodetectors were found to be in a good agreement with the previously reported carrier diffusion-length values for HgCdTe.« less

Magnetic ramp scale at supercritical perpendicular collisionless shocks: Full particle electromagnetic simulations

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

Yang, Zhongwei; SOA Key Laboratory for Polar Science, Polar Research Institute of China, Shanghai, 200136; Lu, Quanming

2013-09-15

Supercritical perpendicular collisionless shocks are known to exhibit foot, ramp, and overshoot structures. The shock ramp structure is in a smaller scale in contrast to other microstructures (foot and overshoot) within the shock front. One-dimensional full particle simulations of strictly perpendicular shocks over wide ranges of ion beta β{sub i}, Alfvén Mach number M{sub A}, and ion-to-electron mass ratio m{sub i}/m{sub e} are presented to investigate the impact of plasma parameters on the shock ramp scale. Main results are (1) the ramp scale can be as small as several electron inertial length. (2) The simulations suggest that in a regimemore » below the critical ion beta value, the shock front undergoes a periodic self-reformation and the shock ramp scale is time-varying. At higher ion beta values, the shock front self-reformation is smeared. At still higher ion beta value, the motion of reflected ions is quite diffuse so that they can lead to a quasi-steady shock ramp. Throughout the above three conditions, the shock ramp thickness increases with β{sub i}. (3) The increase (decrease) in Mach number and the decrease (increase) in the beta value have almost equivalent impact on the state (i.e., stationary or nonstationary) of the shock ramp. Both of front and ramp thicknesses are increased with M{sub A}.« less

Red Phosphorus Nanodots on Reduced Graphene Oxide as a Flexible and Ultra-Fast Anode for Sodium-Ion Batteries.

PubMed

Liu, Yihang; Zhang, Anyi; Shen, Chenfei; Liu, Qingzhou; Cao, Xuan; Ma, Yuqiang; Chen, Liang; Lau, Christian; Chen, Tian-Chi; Wei, Fei; Zhou, Chongwu

2017-06-27

Sodium-ion batteries offer an attractive option for potential low cost and large scale energy storage due to the earth abundance of sodium. Red phosphorus is considered as a high capacity anode for sodium-ion batteries with a theoretical capacity of 2596 mAh/g. However, similar to silicon in lithium-ion batteries, several limitations, such as large volume expansion upon sodiation/desodiation and low electronic conductance, have severely limited the performance of red phosphorus anodes. In order to address the above challenges, we have developed a method to deposit red phosphorus nanodots densely and uniformly onto reduced graphene oxide sheets (P@RGO) to minimize the sodium ion diffusion length and the sodiation/desodiation stresses, and the RGO network also serves as electron pathway and creates free space to accommodate the volume variation of phosphorus particles. The resulted P@RGO flexible anode achieved 1165.4, 510.6, and 135.3 mAh/g specific charge capacity at 159.4, 31878.9, and 47818.3 mA/g charge/discharge current density in rate capability test, and a 914 mAh/g capacity after 300 deep cycles in cycling stability test at 1593.9 mA/g current density, which marks a significant performance improvement for red phosphorus anodes for sodium-ion chemistry and flexible power sources for wearable electronics.

Graphene-Rich Wrapped Petal-Like Rutile TiO2 tuned by Carbon Dots for High-Performance Sodium Storage.

PubMed

Zhang, Yan; Foster, Christopher W; Banks, Craig E; Shao, Lidong; Hou, Hongshuai; Zou, Guoqiang; Chen, Jun; Huang, Zhaodong; Ji, Xiaobo

2016-11-01

Carbon dots inducing petal-like rutile TiO 2 wrapped by ultrathin graphene-rich layers are proposed to fabricate superior anodes for sodium-ion batteries, featuring high-rate capabilities and long-term cyclelife, benefiting from promoted electron transport and a shortened Na + diffusion length. High capacities of 144.4 mA h g -1 (at 837.5 mA g -1 ) after 1100 cycles and 74.6 mA h g -1 (at 3350 mA g -1 ) after 4000 cycles are delivered outstandingly. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A molecular theory for nonohmicity of the ion leak across the lipid-bilayer membrane.

PubMed

Fujitani, Y; Bedeaux, D

1997-10-01

The current-voltage relationship of ion leak (i.e., ion transport involving neither special channels nor carriers) across the lipid-bilayer membrane has been observed to be log-linear above the ohmic regime. The coefficient of the linear term has been found to be universal for membranes and penetrants examined. This universality has been explained in terms of diffusion in an external field, where the ion position is described as a Markovian process. Such a diffusion picture can be questioned, however. It is also probable that a leaking ion gets over the potential barrier before experiencing sufficient random collision in the membrane, considering that each ion is surrounded with long lipid molecules aligned almost unidirectionally. As an alternative, we discuss this ion leak in terms of velocity distribution of the ions entering the membrane and density fluctuation of the lipids. We conclude that we can explain the universality without resorting to the diffusion picture.

Conductivity noise in transmembrane ion channels due to ion concentration fluctuations via diffusion.

PubMed

Mak, D O; Webb, W W

1997-03-01

A Green's function approach is developed from first principles to evaluate the power spectral density of conductance fluctuations caused by ion concentration fluctuations via diffusion in an electrolyte system. This is applied to simple geometric models of transmembrane ion channels to obtain an estimate of the magnitude of ion concentration fluctuation noise in the channel current. Pure polypeptide alamethicin forms stable ion channels with multiple conductance states in artificial phospholipid bilayers isolated onto tips of micropipettes with gigaohm seals. In the single-channel current recorded by voltage-clamp techniques, excess noise was found after the background instrumental noise and the intrinsic Johnson and shot noises were removed. The noise que to ion concentration fluctuations via diffusion was isolated by the dependence of the excess current noise on buffer ion concentration. The magnitude of the concentration fluctuation noise derived from experimental data lies within limits estimated using our simple geometric channel models. Variation of the noise magnitude for alamethicin channels in various conductance states agrees with theoretical prediction.

Temperature and chain length dependence of ultrafast vibrational dynamics of thiocyanate in alkylimidazolium ionic liquids: A random walk on a rugged energy landscape.

PubMed

Brinzer, Thomas; Garrett-Roe, Sean

2017-11-21

Ultrafast two-dimensional infrared spectroscopy of a thiocyanate vibrational probe (SCN - ) was used to investigate local dynamics in alkylimidazolium bis-[trifluoromethylsulfonyl]imide ionic liquids ([Im n,1 ][Tf 2 N], n = 2, 4, 6) at temperatures from 5 to 80 °C. The rate of frequency fluctuations reported by SCN - increases with increasing temperature and decreasing alkyl chain length. Temperature-dependent correlation times scale proportionally to temperature-dependent bulk viscosities of each ionic liquid studied. A multimode Brownian oscillator model demonstrates that very low frequency (<10 cm -1 ) modes primarily drive the observed spectral diffusion and that these modes broaden and blue shift on average with increasing temperature. An Arrhenius analysis shows activation barriers for local motions around the probe between 5.5 and 6.5 kcal/mol that are very similar to those for translational diffusion of ions. [Im 6,1 ][Tf 2 N] shows an unexpected decrease in activation energy compared to [Im 4,1 ][Tf 2 N] that may be related to mesoscopically ordered polar and nonpolar domains. A model of dynamics on a rugged potential energy landscape provides a unifying description of the observed Arrhenius behavior and the Brownian oscillator model of the low frequency modes.

Observation of Li Diffusion in Cathode Sheets of Li-ion Battery by μ+SR

NASA Astrophysics Data System (ADS)

Umegaki, Izumi; Kawauchi, Shigehiro; Nozaki, Hiroshi; Sawada, Hiroshi; Nakano, Hiroyuki; Harada, Masashi; Cottrell, Stephen P.; Coomer, Fiona C.; Telling, Mark; Sugiyama, Jun

In order to know the change in Li diffusion during the operation of Li-ion batteries, we have initiated to measure Li diffusion not only in a powder sample but also in a cathode sheet with μ+SR. As the first step, we have measured μ+SR spectra on a cathode sheet, in which a mixture of a cathode material Li(Ni, Co)O2, a binder, and conducting additives is coated on an Al foil. The zero-field μ+SR spectrum exhibited a typical Kubo-Toyabe (KT) type relaxation at 100 K. By subtracting the contribution of the muons stopped in the Al foil, we found that Li+ ion starts to diffuse above 100 K in the Li(Ni, Co)O2. A self diffusion coefficient (DLi) at 300 K was estimated as 10-11 (cm2/s), which comparable with DLi (300 K) in the cathode materials previously reported. This leads to the future "in operando" measurements of DLi in Li-ion batteries.

Kinetic isotopic fractionation during diffusion of ionic species in water

NASA Astrophysics Data System (ADS)

Richter, Frank M.; Mendybaev, Ruslan A.; Christensen, John N.; Hutcheon, Ian D.; Williams, Ross W.; Sturchio, Neil C.; Beloso, Abelardo D.

2006-01-01

Experiments specifically designed to measure the ratio of the diffusivities of ions dissolved in water were used to determine DLi/DK,D/D,D/D,D/D,andD/D. The measured ratio of the diffusion coefficients for Li and K in water (D Li/D K = 0.6) is in good agreement with published data, providing evidence that the experimental design being used resolves the relative mobility of ions with adequate precision to also be used for determining the fractionation of isotopes by diffusion in water. In the case of Li, we found measurable isotopic fractionation associated with the diffusion of dissolved LiCl (D/D=0.99772±0.00026). This difference in the diffusion coefficient of 7Li compared to 6Li is significantly less than that reported in an earlier study, a difference we attribute to the fact that in the earlier study Li diffused through a membrane separating the water reservoirs. Our experiments involving Mg diffusing in water found no measurable isotopic fractionation (D/D=1.00003±0.00006). Cl isotopes were fractionated during diffusion in water (D/D=0.99857±0.00080) whether or not the co-diffuser (Li or Mg) was isotopically fractionated. The isotopic fractionation associated with the diffusion of ions in water is much smaller than values we found previously for the isotopic fractionation of Li and Ca isotopes by diffusion in molten silicate liquids. A major distinction between water and silicate liquids is that water surrounds dissolved ions with hydration shells, which very likely play an important but still poorly understood role in limiting the isotopic fractionation associated with diffusion.

A Nanocrystalline Fe2O3 Film Anode Prepared by Pulsed Laser Deposition for Lithium-Ion Batteries

NASA Astrophysics Data System (ADS)

Teng, Xiaoling; Qin, Youzhi; Wang, Xia; Li, Hongsen; Shang, Xiantao; Fan, Shuting; Li, Qiang; Xu, Jie; Cao, Derang; Li, Shandong

2018-02-01

Nanocrystalline Fe2O3 thin films are deposited directly on the conduct substrates by pulsed laser deposition as anode materials for lithium-ion batteries. We demonstrate the well-designed Fe2O3 film electrodes are capable of excellent high-rate performance (510 mAh g- 1 at high current density of 15,000 mA g- 1) and superior cycling stability (905 mAh g- 1 at 100 mA g- 1 after 200 cycles), which are among the best reported state-of-the-art Fe2O3 anode materials. The outstanding lithium storage performances of the as-synthesized nanocrystalline Fe2O3 film are attributed to the advanced nanostructured architecture, which not only provides fast kinetics by the shortened lithium-ion diffusion lengths but also prolongs cycling life by preventing nanosized Fe2O3 particle agglomeration. The electrochemical performance results suggest that this novel Fe2O3 thin film is a promising anode material for all-solid-state thin film batteries.

Low Temperature Vacuum Synthesis of Triangular CoO Nanocrystal/Graphene Nanosheets Composites with Enhanced Lithium Storage Capacity

PubMed Central

Guan, Qun; Cheng, Jianli; Li, Xiaodong; Wang, Bin; Huang, Ling; Nie, Fude; Ni, Wei

2015-01-01

CoO nanocrystal/graphene nanosheets (GNS) composites, consisting of a triangular CoO nanocrystal of 2~20 nm on the surface of GNS, are synthesized by a mild synthetic method. First, cobalt acetate tetrahydrate is recrystallized in the alcohol solution at a low temperature. Then, graphene oxide mixed with cobalt-precursor followed by high vacuum annealing to form the CoO nanocrystal/GNS composites. The CoO nanocrystal/GNS composites exhibit a high reversible capacity of 1481.9 m Ah g−1 after 30 cycles with a high Coulombic efficiency of over 96% when used as anode materials for lithium ion battery. The excellent electrochemical performances may be attributed to the special structure of the composites. The well-dispersed triangular CoO nanocrystal on the substrate of conductive graphene can not only have a shorter diffusion length for lithium ions, better stress accommodation capability during the charge-discharge processes and more accessible active sites for lithium-ion storage and electrolyte wetting, but also possess a good conductive network, which can significantly improve the whole electrochemical performance. PMID:25961670

Double diffusivity model under stochastic forcing

NASA Astrophysics Data System (ADS)

Chattopadhyay, Amit K.; Aifantis, Elias C.

2017-05-01

The "double diffusivity" model was proposed in the late 1970s, and reworked in the early 1980s, as a continuum counterpart to existing discrete models of diffusion corresponding to high diffusivity paths, such as grain boundaries and dislocation lines. It was later rejuvenated in the 1990s to interpret experimental results on diffusion in polycrystalline and nanocrystalline specimens where grain boundaries and triple grain boundary junctions act as high diffusivity paths. Technically, the model pans out as a system of coupled Fick-type diffusion equations to represent "regular" and "high" diffusivity paths with "source terms" accounting for the mass exchange between the two paths. The model remit was extended by analogy to describe flow in porous media with double porosity, as well as to model heat conduction in media with two nonequilibrium local temperature baths, e.g., ion and electron baths. Uncoupling of the two partial differential equations leads to a higher-ordered diffusion equation, solutions of which could be obtained in terms of classical diffusion equation solutions. Similar equations could also be derived within an "internal length" gradient (ILG) mechanics formulation applied to diffusion problems, i.e., by introducing nonlocal effects, together with inertia and viscosity, in a mechanics based formulation of diffusion theory. While being remarkably successful in studies related to various aspects of transport in inhomogeneous media with deterministic microstructures and nanostructures, its implications in the presence of stochasticity have not yet been considered. This issue becomes particularly important in the case of diffusion in nanopolycrystals whose deterministic ILG-based theoretical calculations predict a relaxation time that is only about one-tenth of the actual experimentally verified time scale. This article provides the "missing link" in this estimation by adding a vital element in the ILG structure, that of stochasticity, that takes into account all boundary layer fluctuations. Our stochastic-ILG diffusion calculation confirms rapprochement between theory and experiment, thereby benchmarking a new generation of gradient-based continuum models that conform closer to real-life fluctuating environments.

Anomaly diffuse and dielectric relaxation in strontium doped lanthanum molybdate

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

Liu, Xiao; Fan, Huiqing, E-mail: hqfan3@163.com; Shi, Jing

2011-12-15

Highlights: Black-Right-Pointing-Pointer The anomaly diffuse and dielectric relaxation behaviors are fitted by the Cole-Cole approach. Black-Right-Pointing-Pointer The peak in the LSMO is corresponding to different oxygen ion diffusion process. Black-Right-Pointing-Pointer We first give better explanation about the strange conductivity change caused by doping. Black-Right-Pointing-Pointer The oxygen ion diffusion is due to a combination of the dipolar relaxation and the motion of ions. -- Abstract: The dielectric properties of the La{sub 2-x}Sr{sub x}Mo{sub 2}O{sub 9-{delta}} (x = 0-0.2) ceramics were investigated in the temperature range of 300-800 K. Dielectric measurement reveals that two dielectric anomalies, associated with the oxygen ion diffusion,more » exist in frequency spectrum with x = 0.5. The broad dielectric peaks in tan {delta}({omega}) can be well fitted by a modified Cole-Cole approach. When x = 0.1, only one dielectric relaxation peak is observed, corresponding to different oxygen ion diffusion processes, as distinct from the only relaxation peak in the pure La{sub 2}Mo{sub 2}O{sub 9}. The relaxation parameters {tau}{sub 0}, the dielectric relaxation strength {Delta}, and the activation energy E{sub a} were obtained. The result of this work shows that, the conductivity change caused by doping between the two phases is due to the combination of the dipolar effects and motion of ions.« less

Diffusion kinetics of the glucose/glucose oxidase system in swift heavy ion track-based biosensors

NASA Astrophysics Data System (ADS)

Fink, Dietmar; Vacik, Jiri; Hnatowicz, V.; Muñoz Hernandez, G.; Garcia Arrelano, H.; Alfonta, Lital; Kiv, Arik

2017-05-01

For understanding of the diffusion kinetics and their optimization in swift heavy ion track-based biosensors, recently a diffusion simulation was performed. This simulation aimed at yielding the degree of enrichment of the enzymatic reaction products in the highly confined space of the etched ion tracks. A bunch of curves was obtained for the description of such sensors that depend only on the ratio of the diffusion coefficient of the products to that of the analyte within the tracks. As hitherto none of these two diffusion coefficients is accurately known, the present work was undertaken. The results of this paper allow one to quantify the previous simulation and hence yield realistic predictions of glucose-based biosensors. At this occasion, also the influence of the etched track radius on the diffusion coefficients was measured and compared with earlier prediction.

Molecular Design of High Performance Molecular Devices Based on Direct Ab-initio Molecular Dynamics Method: Diffusion of Lithium Ion on Fluorinated Amorphous Carbon

NASA Astrophysics Data System (ADS)

Kawabata, Hiroshi; Iyama, Tetsuji; Tachikawa, Hiroto

2008-01-01

Hybrid density functional theory (DFT) calculations have been carried out for the lithium adsorbed on a fluorinated graphene surface (F-graphene, C96F24) to elucidate the effect of fluorination of amorphous carbon on the diffusion mechanism of lithium ion. Also, direct molecular orbital-molecular dynamics (MO-MD) calculation [H. Tachikawa and A. Shimizu: J. Phys. Chem. B 109 (2005) 13255] was applied to diffusion processes of the Li+ ion on F-graphene. The B3LYP/LANL2MB calculation showed that the Li+ ion is most stabilized around central position of F-graphene, and the energy was gradually instabilized for the edge region. The direct MO-MD calculations showed that the Li+ ion diffuses on the bulk surface region of F-graphite at 300 K. The nature of the interaction between Li+ and F-graphene was discussed on the basis of theoretical results.

Measurement of radon diffusion in polyethylene based on alpha detection

NASA Astrophysics Data System (ADS)

Rau, Wolfgang

2012-02-01

Radon diffusion in different materials has been measured in the past. Usually the diffusion measurements are based on a direct determination of the amount of radon that diffuses through a thin layer of material. Here we present a method based on the measurement of the radon daughter products which are deposited inside the material. Looking at the decay of 210Po allows us to directly measure the exponential diffusion profile characterized by the diffusion length. In addition we can determine the solubility of radon in PE. We also describe a second method to determine the diffusion constant based on the short-lived radon daughter products 218Po and 214Po, using the identical experimental setup. Measurements for regular polyethylene (PE) and High Molecular Weight Polyethylene (HMWPE) yielded diffusion lengths of (1.3±0.3) mm and (0.8±0.2) mm and solubilities of 0.5±0.1 and 0.7±0.2, respectively, for the first method; the diffusion lengths extracted from the second method are noticeably larger which may be caused by different experimental conditions during diffusion.

Fractal Theory and Field Cover Experiments: Implications for the Fractal Characteristics and Radon Diffusion Behavior of Soils and Rocks.

PubMed

Tan, Wanyu; Li, Yongmei; Tan, Kaixuan; Duan, Xianzhe; Liu, Dong; Liu, Zehua

2016-12-01

Radon diffusion and transport through different media is a complex process affected by many factors. In this study, the fractal theories and field covering experiments were used to study the fractal characteristics of particle size distribution (PSD) of six kinds of geotechnical materials (e.g., waste rock, sand, laterite, kaolin, mixture of sand and laterite, and mixture of waste rock and laterite) and their effects on radon diffusion. In addition, the radon diffusion coefficient and diffusion length were calculated. Moreover, new formulas for estimating diffusion coefficient and diffusion length functional of fractal dimension d of PSD were proposed. These results demonstrate the following points: (1) the fractal dimension d of the PSD can be used to characterize the property of soils and rocks in the studies of radon diffusion behavior; (2) the diffusion coefficient and diffusion length decrease with increasing fractal dimension of PSD; and (3) the effectiveness of final covers in reducing radon exhalation of uranium tailings impoundments can be evaluated on the basis of the fractal dimension of PSD of materials.

Dislocations Accelerate Oxygen Ion Diffusion in La 0.8Sr 0.2MnO 3 Epitaxial Thin Films

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

Navickas, Edvinas; Chen, Yan; Lu, Qiyang

Revealing whether dislocations accelerate oxygen ion transport is important for providing abilities in tuning the ionic conductivity of ceramic materials. In this study, we report how dislocations affect oxygen ion diffusion in Sr-doped LaMnO 3 (LSM), a model perovskite oxide that serves in energy conversion technologies. LSM epitaxial thin films with thicknesses ranging from 10 nm to more than 100 nm were prepared by pulsed laser deposition on single-crystal LaAlO 3 and SrTiO 3 substrates. The lattice mismatch between the film and substrates induces compressive or tensile in-plane strain in the LSM layers. This lattice strain is partially reduced bymore » dislocations, especially in the LSM films on LaAlO 3. Oxygen isotope exchange measured by secondary ion mass spectrometry revealed the existence of at least two very different diffusion coefficients in the LSM films on LaAlO 3. In conclusion, the diffusion profiles can be quantitatively explained by the existence of fast oxygen ion diffusion along threading dislocations that is faster by up to 3 orders of magnitude compared to that in LSM bulk.« less

Dislocations Accelerate Oxygen Ion Diffusion in La0.8Sr0.2MnO3 Epitaxial Thin Films

PubMed Central

2017-01-01

Revealing whether dislocations accelerate oxygen ion transport is important for providing abilities in tuning the ionic conductivity of ceramic materials. In this study, we report how dislocations affect oxygen ion diffusion in Sr-doped LaMnO3 (LSM), a model perovskite oxide that serves in energy conversion technologies. LSM epitaxial thin films with thicknesses ranging from 10 nm to more than 100 nm were prepared by pulsed laser deposition on single-crystal LaAlO3 and SrTiO3 substrates. The lattice mismatch between the film and substrates induces compressive or tensile in-plane strain in the LSM layers. This lattice strain is partially reduced by dislocations, especially in the LSM films on LaAlO3. Oxygen isotope exchange measured by secondary ion mass spectrometry revealed the existence of at least two very different diffusion coefficients in the LSM films on LaAlO3. The diffusion profiles can be quantitatively explained by the existence of fast oxygen ion diffusion along threading dislocations that is faster by up to 3 orders of magnitude compared to that in LSM bulk. PMID:28981249

Building 1D resonance broadened quasilinear (RBQ) code for fast ions Alfvénic relaxations

NASA Astrophysics Data System (ADS)

Gorelenkov, Nikolai; Duarte, Vinicius; Berk, Herbert

2016-10-01

The performance of the burning plasma is limited by the confinement of superalfvenic fusion products, e.g. alpha particles, which are capable of resonating with the Alfvénic eigenmodes (AEs). The effect of AEs on fast ions is evaluated using a resonance line broadened diffusion coefficient. The interaction of fast ions and AEs is captured for cases where there are either isolated or overlapping modes. A new code RBQ1D is being built which constructs diffusion coefficients based on realistic eigenfunctions that are determined by the ideal MHD code NOVA. The wave particle interaction can be reduced to one-dimensional dynamics where for the Alfvénic modes typically the particle kinetic energy is nearly constant. Hence to a good approximation the Quasi-Linear (QL) diffusion equation only contains derivatives in the angular momentum. The diffusion equation is then one dimensional that is efficiently solved simultaneously for all particles with the equation for the evolution of the wave angular momentum. The evolution of fast ion constants of motion is governed by the QL diffusion equations which are adapted to find the ion distribution function.

Dislocations Accelerate Oxygen Ion Diffusion in La 0.8Sr 0.2MnO 3 Epitaxial Thin Films

DOE PAGES

Navickas, Edvinas; Chen, Yan; Lu, Qiyang; ...

2017-10-05

Revealing whether dislocations accelerate oxygen ion transport is important for providing abilities in tuning the ionic conductivity of ceramic materials. In this study, we report how dislocations affect oxygen ion diffusion in Sr-doped LaMnO 3 (LSM), a model perovskite oxide that serves in energy conversion technologies. LSM epitaxial thin films with thicknesses ranging from 10 nm to more than 100 nm were prepared by pulsed laser deposition on single-crystal LaAlO 3 and SrTiO 3 substrates. The lattice mismatch between the film and substrates induces compressive or tensile in-plane strain in the LSM layers. This lattice strain is partially reduced bymore » dislocations, especially in the LSM films on LaAlO 3. Oxygen isotope exchange measured by secondary ion mass spectrometry revealed the existence of at least two very different diffusion coefficients in the LSM films on LaAlO 3. In conclusion, the diffusion profiles can be quantitatively explained by the existence of fast oxygen ion diffusion along threading dislocations that is faster by up to 3 orders of magnitude compared to that in LSM bulk.« less

Improving the Performance of Layered Oxide Cathode Materials with Football-Like Hierarchical Structure for Na-Ion Batteries by Incorporating Mg2+ into Vacancies in Na-Ion Layers.

PubMed

Li, Zheng-Yao; Wang, Huibo; Chen, Dongfeng; Sun, Kai; Yang, Wenyun; Yang, Jinbo; Liu, Xiangfeng; Han, Songbai

2018-04-09

The development of advanced cathode materials is still a great interest for sodium-ion batteries. The feasible commercialization of sodium-ion batteries relies on the design and exploitation of suitable electrode materials. This study offers a new insight into material design to exploit high-performance P2-type cathode materials for sodium-ion batteries. The incorporation of Mg 2+ into intrinsic Na + vacancies in Na-ion layers can lead to a high-performance P2-type cathode material for sodium-ion batteries. The materials prepared by the coprecipitation approach show a well-defined morphology of secondary football-like hierarchical structures. Neutron power diffraction and refinement results demonstrate that the incorporation of Mg 2+ into intrinsic vacancies can enlarge the space for Na-ion diffusion, which can increase the d-spacing of the (0 0 2) peak and the size of slabs but reduce the chemical bond length to result in an enhanced rate capability and cycling stability. The incorporation of Mg 2+ into available vacancies and a unique morphology make Na 0.7 Mg 0.05 Mn 0.8 Ni 0.1 Co 0.1 O 2 a promising cathode, which can be charged and discharged at an ultra-high current density of 2000 mA g -1 with an excellent specific capacity of 60 mAh g -1 . This work provides a new insight into the design of electrode materials for sodium-ion batteries. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electron-hole diffusion lengths >175 μm in solution-grown CH 3NH 3PbI 3 single crystals

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

Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan

Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH 3NH 3PbI 3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH 3NH 3PbI 3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm –2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smallermore » trap densities in the single crystals than in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH 3NH 3PbI 3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.« less

Electron-hole diffusion lengths >175 μm in solution-grown CH 3NH 3PbI 3 single crystals

DOE PAGES

Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; ...

2015-02-27

Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH 3NH 3PbI 3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH 3NH 3PbI 3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm –2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smallermore » trap densities in the single crystals than in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH 3NH 3PbI 3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.« less

Effect of double layers on magnetosphere-ionosphere coupling

NASA Technical Reports Server (NTRS)

Lysak, Robert L.; Hudson, Mary K.

1987-01-01

The Earth's auroral zone contains dynamic processes occurring on scales from the length of an auroral zone field line which characterizes Alfven wave propagation to the scale of microscopic processes which occur over a few Debye lengths. These processes interact in a time-dependent fashion since the current carried by the Alfven waves can excite microscopic turbulence which can in turn provide dissipation of the Alfven wave energy. This review will first describe the dynamic aspects of auroral current structures with emphasis on consequences for models of microscopic turbulence. A number of models of microscopic turbulence will be introduced into a large-scale model of Alfven wave propagation to determine the effect of various models on the overall structure of auroral currents. In particular, the effects of a double layer electric field which scales with the plasma temperature and Debye length is compared with the effect of anomalous resistivity due to electrostatic ion cyclotron turbulence in which the electric field scales with the magnetic field strength. It is found that the double layer model is less diffusive than in the resistive model leading to the possibility of narrow, intense current structures.

Modeling of Pickup Ion Distributions in the Halley Cometo-Sheath: Empirical Rates of Ionization, Diffusion, Loss and Creation of Fast Neutral Atoms

NASA Technical Reports Server (NTRS)

Huddleston, D.; Neugebauer, M.; Goldstein, B.

1994-01-01

The shape of the velocity distribution of water-group ions observed by the Giotto ion mass spectrometer on its approach to comet Halley is modeled to derive empirical values for the rates on ionization, energy diffusion, and loss in the mid-cometosheath.

Probing sub-alveolar length scales with hyperpolarized-gas diffusion NMR

NASA Astrophysics Data System (ADS)

Miller, Wilson; Carl, Michael; Mooney, Karen; Mugler, John; Cates, Gordon

2009-05-01

Diffusion MRI of the lung is a promising technique for detecting alterations of normal lung microstructure in diseases such as emphysema. The length scale being probed using this technique is related to the time scale over which the helium-3 or xenon-129 diffusion is observed. We have developed new MR pulse sequence methods for making diffusivity measurements at sub-millisecond diffusion times, allowing one to probe smaller length scales than previously possible in-vivo, and opening the possibility of making quantitative measurements of the ratio of surface area to volume (S/V) in the lung airspaces. The quantitative accuracy of simulated and experimental measurements in microstructure phantoms will be discussed, and preliminary in-vivo results will be presented.

Threshold for ion movements in wood cell walls below fiber saturation observed by X-ray fluorescence microscopy (XFM)

Treesearch

Samuel L. Zelinka; Sophie-Charlotte Gleber; Stefan Vogt; Gabriela M. Rodriguez Lopez; Joseph E. Jakes

2015-01-01

Diffusion of chemicals and ions through the wood cell wall plays an important role in wood damage mechanisms. In the present work, free diffusion of ions through wood secondary walls and middle lamellae has been investigated as a function of moisture content (MC) and anatomical direction. Various ions (K, Cl, Zn, Cu) were injected into selected regions of 2 ìm thick...

Pickup protons and water ions at Comet Halley - Comparisons with Giotto observations

NASA Astrophysics Data System (ADS)

Ye, G.; Cravens, T. E.; Gombosi, T. I.

1993-02-01

The cometary ion pickup process along the sun-comet line at Comet Halley is investigated using a quasi-linear diffusion model including both pitch angle and energy diffusion, adiabatic compression, and convective motion with the solar wind flow. The model results are compared with energetic ion distributions observed by instruments on board the Giotto spacecraft. The observed power spectrum index of magnetic turbulence (gamma) is 2-2.5. The present simulation shows that when gamma was 2, the calculated proton distributions were much more isotropic than the observed ones. The numerical solutions of the quasi-linear diffusion equations show that the isotropization of the pickup ion distribution, particularly at the pickup velocity, is not complete even close to the bow shock. Given the observed turbulence level, quasi-linear theory yields pickup ion energy distributions that agree with the observed ones quite well and easily produces energetic ions with energies up to hundreds of keV.

Ion beam analysis of diffusion in heterogeneous materials

NASA Astrophysics Data System (ADS)

Clough, A. S.; Jenneson, P. M.

1998-04-01

Ion-beam analysis has been applied to a variety of problems involving diffusion in heterogeneous materials. An energy loss technique has been used to study both the diffusion of water and the surface segregation of fluoropolymers in polymeric matrices. A scanning micro-beam technique has been developed to allow water concentrations in hydrophilic polymers and cements to be measured together with associated solute elements. It has also been applied to the diffusion of shampoo into hair.

Molecular diffusion of stable water isotopes in polar firn as a proxy for past temperatures

NASA Astrophysics Data System (ADS)

Holme, Christian; Gkinis, Vasileios; Vinther, Bo M.

2018-03-01

Polar precipitation archived in ice caps contains information on past temperature conditions. Such information can be retrieved by measuring the water isotopic signals of δ18O and δD in ice cores. These signals have been attenuated during densification due to molecular diffusion in the firn column, where the magnitude of the diffusion is isotopologue specific and temperature dependent. By utilizing the differential diffusion signal, dual isotope measurements of δ18O and δD enable multiple temperature reconstruction techniques. This study assesses how well six different methods can be used to reconstruct past surface temperatures from the diffusion-based temperature proxies. Two of the methods are based on the single diffusion lengths of δ18O and δD , three of the methods employ the differential diffusion signal, while the last uses the ratio between the single diffusion lengths. All techniques are tested on synthetic data in order to evaluate their accuracy and precision. We perform a benchmark test to thirteen high resolution Holocene data sets from Greenland and Antarctica, which represent a broad range of mean annual surface temperatures and accumulation rates. Based on the benchmark test, we comment on the accuracy and precision of the methods. Both the benchmark test and the synthetic data test demonstrate that the most precise reconstructions are obtained when using the single isotope diffusion lengths, with precisions of approximately 1.0 °C . In the benchmark test, the single isotope diffusion lengths are also found to reconstruct consistent temperatures with a root-mean-square-deviation of 0.7 °C . The techniques employing the differential diffusion signals are more uncertain, where the most precise method has a precision of 1.9 °C . The diffusion length ratio method is the least precise with a precision of 13.7 °C . The absolute temperature estimates from this method are also shown to be highly sensitive to the choice of fractionation factor parameterization.

Measuring charge carrier diffusion in coupled colloidal quantum dot solids.

PubMed

Zhitomirsky, David; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H

2013-06-25

Colloidal quantum dots (CQDs) are attractive materials for inexpensive, room-temperature-, and solution-processed optoelectronic devices. A high carrier diffusion length is desirable for many CQD device applications. In this work we develop two new experimental methods to investigate charge carrier diffusion in coupled CQD solids under charge-neutral, i.e., undepleted, conditions. The methods take advantage of the quantum-size-effect tunability of our materials, utilizing a smaller-bandgap population of quantum dots as a reporter system. We develop analytical models of diffusion in 1D and 3D structures that allow direct extraction of diffusion length from convenient parametric plots and purely optical measurements. We measure several CQD solids fabricated using a number of distinct methods and having significantly different doping and surface ligand treatments. We find that CQD materials recently reported to achieve a certified power conversion efficiency of 7% with hybrid organic-inorganic passivation have a diffusion length of 80 ± 10 nm. The model further allows us to extract the lifetime, trap density, mobility, and diffusion coefficient independently in each material system. This work will facilitate further progress in extending the diffusion length, ultimately leading to high-quality CQD solid semiconducting materials and improved CQD optoelectronic devices, including CQD solar cells.

Assessment of passive muscle elongation using Diffusion Tensor MRI: Correlation between fiber length and diffusion coefficients.

PubMed

Mazzoli, Valentina; Oudeman, Jos; Nicolay, Klaas; Maas, Mario; Verdonschot, Nico; Sprengers, Andre M; Nederveen, Aart J; Froeling, Martijn; Strijkers, Gustav J

2016-12-01

In this study we investigated the changes in fiber length and diffusion parameters as a consequence of passive lengthening and stretching of the calf muscles. We hypothesized that changes in radial diffusivity (RD) are caused by changes in the muscle fiber cross sectional area (CSA) as a consequence of lengthening and shortening of the muscle. Diffusion Tensor MRI (DT-MRI) measurements were made twice in five healthy volunteers, with the foot in three different positions (30° plantarflexion, neutral position and 15° dorsiflexion). The muscles of the calf were manually segmented on co-registered high resolution anatomical scans, and maps of RD and axial diffusivity (AD) were reconstructed from the DT-MRI data. Fiber tractography was performed and mean fiber length was calculated for each muscle group. Significant negative correlations were found between the changes in RD and changes in fiber length in the dorsiflexed and plantarflexed positions, compared with the neutral foot position. Changes in AD did not correlate with changes in fiber length. Assuming a simple cylindrical model with constant volume for the muscle fiber, the changes in the muscle fiber CSA were calculated from the changes in fiber length. In line with our hypothesis, we observed a significant positive correlation of the CSA with the measured changes in RD. In conclusion, we showed that changes in diffusion coefficients induced by passive muscle stretching and lengthening can be explained by changes in muscle CSA, advancing the physiological interpretation of parameters derived from skeletal muscle DT-MRI. Copyright © 2016 John Wiley & Sons, Ltd.

Observation of High-Frequency Electrostatic Waves in the Vicinity of the Reconnection Ion Diffusion Region by the Spacecraft of the Magnetospheric Multiscale (MMS) Mission

NASA Technical Reports Server (NTRS)

Zhou, M.; Ashour-Abdalla, M.; Berchem, J.; Walker, R. J.; Liang, H.; El-Alaoui, M.; Goldstein, M. L.; Lindqvist, P.-A.; Marklund, G.; Khotyaintsev, Y. V.;

THE DIFFUSION LENGTH OF THERMAL NEUTRONS IN PORTLAND CONCRETE

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

Dugdale, R.A.; Healy, E.

1957-10-01

A measurement of the diffusion length of thermal neutrons in Portland concrete, originally raade by Salmon two years previously, has been repeated. An apparent decrease from 7.04 cm to 6.61 cm has oocurred. This change, which is only four times the standard deviation of the result, could be due to a small increase in water content. In assessing the amount required, a discrepancy between calculated and measured diffusion length was found. Possible explanations of the discrepancy are discussed. (auth)

Diffusion length measurements using the scanning electron microscope. [in semiconductor devices

NASA Technical Reports Server (NTRS)

Weizer, V. G.

1975-01-01

A measurement technique employing the scanning electron microscope is described in which values of the true bulk diffusion length are obtained. It is shown that surface recombination effects can be eliminated through the application of highly doped surface field layers. The influence of high injection level effects and low-high junction current generation on the resulting measurement was investigated. Close agreement is found between the diffusion lengths measured by this method and those obtained using a penetrating radiation technique.

Transport Imaging of Spatial Distribution of Mobility-Lifetime (Micro Tau) Product in Bulk Semiconductors for Nuclear Radiation Detection

DTIC Science & Technology

2012-06-01

the diffusion length L and the mobility-lifetime product  from the luminescence distribution using the 2D model for transport imaging in bulk...C. Scandrett, and N. M. Haegel, “Three-dimensional transport imaging for the spatially resolved determination of carrier diffusion length in bulk...that allows measurements of the diffusion length and extraction of the  product in luminescent materials without the need for device processing

Equivalence of two approaches for modeling ion permeation through a transmembrane channel with an internal binding site

NASA Astrophysics Data System (ADS)

Zhou, Huan-Xiang

2011-04-01

Ion permeation through transmembrane channels has traditionally been modeled using two different approaches. In one approach, the translocation of the permeant ion through the channel pore is modeled as continuous diffusion and the rate of ion transport is obtained from solving the steady-state diffusion equation. In the other approach, the translocation of the permeant ion through the pore is modeled as hopping along a discrete set of internal binding sites and the rate of ion transport is obtained from solving a set of steady-state rate equations. In a recent work [Zhou, J. Phys. Chem. Lett. 1, 1973 (2010)], the rate constants for binding to an internal site were further calculated by modeling binding as diffusion-influenced reactions. That work provided the foundation for bridging the two approaches. Here we show that, by representing a binding site as an energy well, the two approaches indeed give the same result for the rate of ion transport.

Experimental measurement of coil-rod-coil block copolymer tracer diffusion through entangled coil homopolymers

PubMed Central

Wang, Muzhou; Timachova, Ksenia; Olsen, Bradley D.

2014-01-01

The diffusion of coil-rod-coil triblock copolymers in entangled coil homopolymers is experimentally measured and demonstrated to be significantly slower than rod or coil homopolymers of the same molecular weight. A model coil-rod-coil triblock was prepared by expressing rodlike alanine-rich α-helical polypeptides in E. coli and conjugating coillike poly(ethylene oxide) (PEO) to both ends to form coil-rod-coil triblock copolymers. Tracer diffusion through entangled PEO homopolymer melts was measured using forced Rayleigh scattering at various rod lengths, coil molecular weights, and coil homopolymer concentrations. For rod lengths, L, that are close to the entanglementh length, a, the ratio between triblock diffusivity and coil homopolymer diffusivity decreases monotonically and is only a function of L/a, in quantitative agreement with previous simulation results. For large rod lengths, diffusion follows an arm retraction scaling, which is also consistent with previous theoretical predictions. These experimental results support the key predictions of theory and simulation, suggesting that the mismatch in curvature between rod and coil entanglement tubes leads to the observed diffusional slowing. PMID:25484454

Design-for-manufacture of gradient-index optical systems using time-varying boundary condition diffusion

NASA Astrophysics Data System (ADS)

Harkrider, Curtis Jason

2000-08-01

The incorporation of gradient-index (GRIN) material into optical systems offers novel and practical solutions to lens design problems. However, widespread use of gradient-index optics has been limited by poor correlation between gradient-index designs and the refractive index profiles produced by ion exchange between glass and molten salt. Previously, a design-for- manufacture model was introduced that connected the design and fabrication processes through use of diffusion modeling linked with lens design software. This project extends the design-for-manufacture model into a time- varying boundary condition (TVBC) diffusion model. TVBC incorporates the time-dependent phenomenon of melt poisoning and introduces a new index profile control method, multiple-step diffusion. The ions displaced from the glass during the ion exchange fabrication process can reduce the total change in refractive index (Δn). Chemical equilibrium is used to model this melt poisoning process. Equilibrium experiments are performed in a titania silicate glass and chemically analyzed. The equilibrium model is fit to ion concentration data that is used to calculate ion exchange boundary conditions. The boundary conditions are changed purposely to control the refractive index profile in multiple-step TVBC diffusion. The glass sample is alternated between ion exchange with a molten salt bath and annealing. The time of each diffusion step can be used to exert control on the index profile. The TVBC computer model is experimentally verified and incorporated into the design- for-manufacture subroutine that runs in lens design software. The TVBC design-for-manufacture model is useful for fabrication-based tolerance analysis of gradient-index lenses and for the design of manufactureable GRIN lenses. Several optical elements are designed and fabricated using multiple-step diffusion, verifying the accuracy of the model. The strength of multiple-step diffusion process lies in its versatility. An axicon, imaging lens, and curved radial lens, all with different index profile requirements, are designed out of a single glass composition.

Diffusion-limited mixing by incompressible flows

NASA Astrophysics Data System (ADS)

Miles, Christopher J.; Doering, Charles R.

2018-05-01

Incompressible flows can be effective mixers by appropriately advecting a passive tracer to produce small filamentation length scales. In addition, diffusion is generally perceived as beneficial to mixing due to its ability to homogenize a passive tracer. However we provide numerical evidence that, in cases where advection and diffusion are both actively present, diffusion may produce negative effects by limiting the mixing effectiveness of incompressible optimal flows. This limitation appears to be due to the presence of a limiting length scale given by a generalised Batchelor length (Batchelor 1959 J. Fluid Mech. 5 113–33). This length scale limitation may in turn affect long-term mixing rates. More specifically, we consider local-in-time flow optimisation under energy and enstrophy flow constraints with the objective of maximising the mixing rate. We observe that, for enstrophy-bounded optimal flows, the strength of diffusion may not impact the long-term mixing rate. For energy-constrained optimal flows, however, an increase in the strength of diffusion can decrease the mixing rate. We provide analytical lower bounds on mixing rates and length scales achievable under related constraints (point-wise bounded speed and rate-of-strain) by extending the work of Lin et al (2011 J. Fluid Mech. 675 465–76) and Poon (1996 Commun. PDE 21 521–39).

Breaking The Ion Frozen-in Condition Via The Non-gyrotropic Pressure Effect In Magnetic Reconnection

NASA Astrophysics Data System (ADS)

Dai, L.; Wang, C.; Angelopoulos, V.; Glassmeier, K. H.

2016-12-01

For magnetic reconnection to proceed, the frozen-in condition for both ion fluid and electron fluid in a localized diffusion region must be violated. In the framework of fluid, the frozen-in can be broken by inertial effects, thermal pressure effects, or inter-species collisions. An essential question in reconnection physics is what effect breaks the ion/electron frozen-in in the diffusion region. We present clear in-situ evidence that the off-diagonal pressure tensor, which corresponds to a non-gyrotropic pressure effect, is mainly responsible for breaking the ion frozen-in condition in reconnection. The non-gyrotropic pressure tensor is a fluid manifestation of ion demagnetization in reconnection. As our experiences indicate, we feel the need to clarify several conceptual points regarding the approach to studying diffusion region. 1) Conceptually, the ion/electron momentum equations ("ion/electron Ohm's law"), rather than the generalized Ohm's law (Rossi and Olbert,1970, equation [12.25] ), are appropriate for investigating the fronzen-in or decoupling of individual fluid species. 2) The reconnection electric field is equally explainable in terms of ion momentum or electron momentum equation.

Ion Mobility Spectrometry-Hydrogen Deuterium Exchange Mass Spectrometry of Anions: Part 2. Assessing Charge Site Location and Isotope Scrambling

NASA Astrophysics Data System (ADS)

Khakinejad, Mahdiar; Ghassabi Kondalaji, Samaneh; Donohoe, Gregory C.; Valentine, Stephen J.

2016-03-01

Ion mobility spectrometry (IMS) coupled with gas-phase hydrogen deuterium exchange (HDX)-mass spectrometry (MS) and molecular dynamic simulations (MDS) has been used for structural investigation of anions produced by electrospraying a sample containing a synthetic peptide having the sequence KKDDDDDIIKIIK. In these experiments the potential of the analytical method for locating charge sites on ions as well as for utilizing collision-induced dissociation (CID) to reveal the degree of deuterium uptake within specific amino acid residues has been assessed. For diffuse (i.e., more elongated) [M - 2H]2- ions, decreased deuterium content along with MDS data suggest that the D4 and D6 residues are charge sites, whereas for the more diffuse [M - 3H]3- ions, the data suggest that the D4, D7, and the C-terminus are deprotonated. Fragmentation of mobility-selected, diffuse [M - 2H]2- ions to determine deuterium uptake at individual amino acid residues reveals a degree of deuterium retention at incorporation sites. Although the diffuse [M - 3H]3- ions may show more HD scrambling, it is not possible to clearly distinguish HD scrambling from the expected deuterium uptake based on a hydrogen accessibility model. The capability of the IMS-HDX-MS/MS approach to provide relevant details about ion structure is discussed. Additionally, the ability to extend the approach for locating protonation sites on positively-charged ions is presented.

Exciton diffusion coefficient measurement in ZnO nanowires under electron beam irradiation.

PubMed

Donatini, Fabrice; Pernot, Julien

2018-03-09

In semiconductor nanowires (NWs) the exciton diffusion coefficient can be determined using a scanning electron microscope fitted with a cathodoluminescence system. High spatial and temporal resolution cathodoluminescence experiments are needed to measure independently the exciton diffusion length and lifetime in single NWs. However, both diffusion length and lifetime can be affected by the electron beam bombardment during observation and measurement. Thus, in this work the exciton lifetime in a ZnO NW is measured versus the electron beam dose (EBD) via a time-resolved cathodoluminescence experiment with a temporal resolution of 50 ps. The behavior of the measured exciton lifetime is consistent with our recent work on the EBD dependence of the exciton diffusion length in similar NWs investigated under comparable SEM conditions. Combining the two results, the exciton diffusion coefficient in ZnO is determined at room temperature and is found constant over the full span of EBD.

Ion adsorption at the rutile-water interface: linking molecular and macroscopic properties.

PubMed

Zhang, Z; Fenter, P; Cheng, L; Sturchio, N C; Bedzyk, M J; Predota, M; Bandura, A; Kubicki, J D; Lvov, S N; Cummings, P T; Chialvo, A A; Ridley, M K; Bénézeth, P; Anovitz, L; Palmer, D A; Machesky, M L; Wesolowski, D J

2004-06-08

A comprehensive picture of the interface between aqueous solutions and the (110) surface of rutile (alpha-TiO2) is being developed by combining molecular-scale and macroscopic approaches, including experimental measurements, quantum calculations, molecular simulations, and Gouy-Chapman-Stern models. In situ X-ray reflectivity and X-ray standing-wave measurements are used to define the atomic arrangement of adsorbed ions, the coordination of interfacial water molecules, and substrate surface termination and structure. Ab initio calculations and molecular dynamics simulations, validated through direct comparison with the X-ray results, are used to predict ion distributions not measured experimentally. Potentiometric titration and ion adsorption results for rutile powders having predominant (110) surface expression provide macroscopic constraints of electrical double layer (EDL) properties (e.g., proton release) which are evaluated by comparison with a three-layer EDL model including surface oxygen proton affinities calculated using ab initio bond lengths and partial charges. These results allow a direct correlation of the three-dimensional, crystallographically controlled arrangements of various species (H2O, Na+, Rb+, Ca2+, Sr2+, Zn2+, Y3+, Nd3+) with macroscopic observables (H+ release, metal uptake, zeta potential) and thermodynamic/electrostatic constraints. All cations are found to be adsorbed as "inner sphere" species bonded directly to surface oxygen atoms, while the specific binding geometries and reaction stoichiometries are dependent on ionic radius. Ternary surface complexes of sorbed cations with electrolyte anions are not observed. Finally, surface oxygen proton affinities computed using the MUSIC model are improved by incorporation of ab initio bond lengths and hydrogen bonding information derived from MD simulations. This multitechnique and multiscale approach demonstrates the compatibility of bond-valence models of surface oxygen proton affinities and Stern-based models of the EDL structure, with the actual molecular interfacial distributions observed experimentally, revealing new insight into EDL properties including specific binding sites and hydration states of sorbed ions, interfacial solvent properties (structure, diffusivity, dielectric constant), surface protonation and hydrolysis, and the effect of solution ionic strength.

Underscreening in concentrated electrolytes.

PubMed

Lee, Alpha A; Perez-Martinez, Carla S; Smith, Alexander M; Perkin, Susan

2017-07-01

Screening of a surface charge by an electrolyte and the resulting interaction energy between charged objects is of fundamental importance in scenarios from bio-molecular interactions to energy storage. The conventional wisdom is that the interaction energy decays exponentially with object separation and the decay length is a decreasing function of ion concentration; the interaction is thus negligible in a concentrated electrolyte. Contrary to this conventional wisdom, we have shown by surface force measurements that the decay length is an increasing function of ion concentration and Bjerrum length for concentrated electrolytes. In this paper we report surface force measurements to test directly the scaling of the screening length with Bjerrum length. Furthermore, we identify a relationship between the concentration dependence of this screening length and empirical measurements of activity coefficient and differential capacitance. The dependence of the screening length on the ion concentration and the Bjerrum length can be explained by a simple scaling conjecture based on the physical intuition that solvent molecules, rather than ions, are charge carriers in a concentrated electrolyte.

Transport of carbon ion test particles and hydrogen recycling in the plasma of the Columbia tokamak HBT'' (High Beta Tokamak)

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

Wang, Jian-Hua.

Carbon impurity ion transport is studied in the Columbia High Beta Tokamak (HBT), using a carbon tipped probe which is inserted into the plasma (n{sub e} {approx} 1 {minus} 5 {times} 10{sup 14} (cm{sup {minus}3}), T{sub e} {approx} 4 {minus} 10 (eV), B{sub t} {approx} 0.2 {minus} 0.4(T)). Carbon impurity light, mainly the strong lines of C{sub II}(4267A, emitted by the C{sup +} ions) and C{sub III} (4647A, emitted by the C{sup ++} ions), is formed by the ablation or sputtering of plasma ions and by the discharge of the carbon probe itself. The diffusion transport of the carbon ionsmore » is modeled by measuring the space-and-time dependent spectral light emission of the carbon ions with a collimated optical beam and photomultiplier. The point of emission can be observed in such a way as to sample regions along and transverse to the toroidal magnetic field. The carbon ion diffusion coefficients are obtained by fitting the data to a diffusion transport model. It is found that the diffusion of the carbon ions is classical'' and is controlled by the high collisionality of the HBT plasma; the diffusion is a two-dimensional problem and the expected dependence on the charge of the impurity ion is observed. The measurement of the spatial distribution of the H{sub {alpha}} emissivity was obtained by inverting the light signals from a 4-channel polychromator, the data were used to calculate the minor-radial influx, the density, and the recycling time of neutral hydrogen atoms or molecules. The calculation shows that the particle recycling time {tau}{sub p} is comparable with the plasma energy confinement time {tau}{sub E}; therefore, the recycling of the hot plasma ions with the cold neutrals from the walls is one of the main mechanisms for loss of plasma energy.« less

Investigation of heavy-ion fusion with deformed surface diffuseness: Actinide and lanthanide targets

NASA Astrophysics Data System (ADS)

Alavi, S. A.; Dehghani, V.

2017-05-01

By using a deformed Broglia-Winther nuclear interaction potential in the framework of the WKB method, the near- and above-barrier heavy-ion-fusion cross sections of 16O with some lanthanides and actinides have been calculated. The effect of deformed surface diffuseness on the nuclear interaction potential, the effective interaction potential at distinct angle, barrier position, barrier height, cross section at each angles, and fusion cross sections of 16O+147Sm,150Nd,154Sm , and 166Er and 16O+232Th,238U,237Np , and 248Cm have been studied. The differences between the results obtained by using deformed surface diffuseness and those obtained by using constant surface diffuseness were noticeable. Good agreement between experimental data and theoretical calculation with deformed surface diffuseness were observed for 16O+147Sm,154Sm,166Er,238U,237Np , and 248Cm reactions. It has been observed that deformed surface diffuseness plays a significant role in heavy-ion-fusion studies.

Thermal diffusion in partially ionized gases - The case of unequal temperatures. [in solar chromosphere

NASA Technical Reports Server (NTRS)

Geiss, J.; Burgi, A.

1987-01-01

Previous calculations of thermal diffusion coefficients in partially ionized gases are extended to the case of unequal neutral and ion temperatures and/or temperature gradients. Formulas are derived for the general case of a major gas as well as for minor atoms and ions. Strong enhancements of minor-ion thermal diffusion coefficients over their values in the fully ionized gas are found when the degree of ionization in the main gas is relatively low. However, compared to the case of equal temperatures, the enhancements are less strong when the neutrals are cooler than the ions. The specific case of the H-H(+) mixture, which is important in the study of solar and stellar atmospheres, is discussed as an application.

Surface photovoltage method extended to silicon solar cell junction

NASA Technical Reports Server (NTRS)

Wang, E. Y.; Baraona, C. R.; Brandhorst, H. W., Jr.

1974-01-01

The conventional surface photovoltage (SPV) method is extended to the measurement of the minority carrier diffusion length in diffused semiconductor junctions of the type used in a silicon solar cell. The minority carrier diffusion values obtained by the SPV method agree well with those obtained by the X-ray method. Agreement within experimental error is also obtained between the minority carrier diffusion lengths in solar cell diffusion junctions and in the same materials with n-regions removed by etching, when the SPV method was used in the measurements.

A model for self-diffusion of guanidinium-based ionic liquids: a molecular simulation study.

PubMed

Klähn, Marco; Seduraman, Abirami; Wu, Ping

2008-11-06

We propose a novel self-diffusion model for ionic liquids on an atomic level of detail. The model is derived from molecular dynamics simulations of guanidinium-based ionic liquids (GILs) as a model case. The simulations are based on an empirical molecular mechanical force field, which has been developed in our preceding work, and it relies on the charge distribution in the actual liquid. The simulated GILs consist of acyclic and cyclic cations that were paired with nitrate and perchlorate anions. Self-diffusion coefficients are calculated at different temperatures from which diffusive activation energies between 32-40 kJ/mol are derived. Vaporization enthalpies between 174-212 kJ/mol are calculated, and their strong connection with diffusive activation energies is demonstrated. An observed formation of cavities in GILs of up to 6.5% of the total volume does not facilitate self-diffusion. Instead, the diffusion of ions is found to be determined primarily by interactions with their immediate environment via electrostatic attraction between cation hydrogen and anion oxygen atoms. The calculated average time between single diffusive transitions varies between 58-107 ps and determines the speed of diffusion, in contrast to diffusive displacement distances, which were found to be similar in all simulated GILs. All simulations indicate that ions diffuse by using a brachiation type of movement: a diffusive transition is initiated by cleaving close contacts to a coordinated counterion, after which the ion diffuses only about 2 A until new close contacts are formed with another counterion in its vicinity. The proposed diffusion model links all calculated energetic and dynamic properties of GILs consistently and explains their molecular origin. The validity of the model is confirmed by providing an explanation for the variation of measured ratios of self-diffusion coefficients of cations and paired anions over a wide range of values, encompassing various ionic liquid classes as well as the simulated GILs. The proposed diffusion model facilitates the qualitative a priori prediction of the impact of ion modifications on the diffusive characteristics of new ionic liquids.

A scaled-ionic-charge simulation model that reproduces enhanced and suppressed water diffusion in aqueous salt solutions.

PubMed

Kann, Z R; Skinner, J L

2014-09-14

Non-polarizable models for ions and water quantitatively and qualitatively misrepresent the salt concentration dependence of water diffusion in electrolyte solutions. In particular, experiment shows that the water diffusion coefficient increases in the presence of salts of low charge density (e.g., CsI), whereas the results of simulations with non-polarizable models show a decrease of the water diffusion coefficient in all alkali halide solutions. We present a simple charge-scaling method based on the ratio of the solvent dielectric constants from simulation and experiment. Using an ion model that was developed independently of a solvent, i.e., in the crystalline solid, this method improves the water diffusion trends across a range of water models. When used with a good-quality water model, e.g., TIP4P/2005 or E3B, this method recovers the qualitative behaviour of the water diffusion trends. The model and method used were also shown to give good results for other structural and dynamic properties including solution density, radial distribution functions, and ion diffusion coefficients.

Evaluation Of Ion Exchange For Fabrication Of Rare-Earth Doped Waveguides

NASA Astrophysics Data System (ADS)

Howell, Brian P.; Beerling, Timothy

1987-01-01

Rare earth ions are frequently incorporated into lasers by doping common glasses with the ions in the glass melt. This paper describes the potential of using diffusion of the rare earth ion from molten salt baths to incorporate it in the glass. The paper discusses the molten salts, the rare earths as a group, the diffusion phenomena, the glasses, and finally the interaction of all these to produce the process. General predictions of the waveguide profile and potential problems are presented.

Long-range electrostatic screening in ionic liquids

PubMed Central

Gebbie, Matthew A.; Dobbs, Howard A.; Valtiner, Markus; Israelachvili, Jacob N.

2015-01-01

Electrolyte solutions with high concentrations of ions are prevalent in biological systems and energy storage technologies. Nevertheless, the high interaction free energy and long-range nature of electrostatic interactions makes the development of a general conceptual picture of concentrated electrolytes a significant challenge. In this work, we study ionic liquids, single-component liquids composed solely of ions, in an attempt to provide a novel perspective on electrostatic screening in very high concentration (nonideal) electrolytes. We use temperature-dependent surface force measurements to demonstrate that the long-range, exponentially decaying diffuse double-layer forces observed across ionic liquids exhibit a pronounced temperature dependence: Increasing the temperature decreases the measured exponential (Debye) decay length, implying an increase in the thermally driven effective free-ion concentration in the bulk ionic liquids. We use our quantitative results to propose a general model of long-range electrostatic screening in ionic liquids, where thermally activated charge fluctuations, either free ions or correlated domains (quasiparticles), take on the role of ions in traditional dilute electrolyte solutions. This picture represents a crucial step toward resolving several inconsistencies surrounding electrostatic screening and charge transport in ionic liquids that have impeded progress within the interdisciplinary ionic liquids community. More broadly, our work provides a previously unidentified way of envisioning highly concentrated electrolytes, with implications for diverse areas of inquiry, ranging from designing electrochemical devices to rationalizing electrostatic interactions in biological systems. PMID:26040001

Advanced electric propulsion and space plasma contactor research

NASA Technical Reports Server (NTRS)

Wilbur, P. J.

1986-01-01

A series of experiments performed on an 8 cm dia. ring cusp magnetic field ion thruster are described. The results show the effects of anode and cathode position and size, ring cusp axial location and discharge chamber length on plasma ion energy cost and extracted ion fraction. Thruster performance is shown to be improved substantially when optimum values of these parameters are used. Investigations into the basic plasma phenomena associated with the process of plasma contacting are described. The results show the process of electron collection from a background plasma to a hollow cathode plasma contactor exhibits a higher impedance than the process of electron emission from the hollow cathode. The importance of having cold ions present to facilitate the plasma contacting process is shown. Results of experiments into the behavior of hollow cathodes operating at high interelectrode pressures (up to approx. 100 Torr) on nitrogen and ammonia are presented. They suggest that diffuse emission from the insert of a hollow cathode can be sustained at high interelectrode pressures if the cathode is made of non-conducting material and the cathode internal pressure is reduced by evacuating the cathode interior. A theoretical model of discharge chamber operation developed for inert gas thrusters is extended so it can be used to evaluste the performance of mercury ion thrusters. Predictions of the model are compared to experimental results obtained on two 30 cm dia. thrusters.

Mechanism of conductivity relaxation in liquid and polymeric electrolytes: Direct link between conductivity and diffusivity

DOE PAGES

Gainaru, Catalin P.; Technische Univ. Dortmund, Dortmund; Stacy, Eric W.; ...

2016-09-28

Combining broadband impedance spectroscopy, differential scanning calorimetry, and nuclear magnetic resonance we analyzed charge and mass transport in two polymerized ionic liquids and one of their monomeric precursors. In order to establish a general procedure for extracting single-particle diffusivity from their conductivity spectra, we critically assessed several approaches previously employed to describe the onset of diffusive charge dynamics and of the electrode polarization in ion conducting materials. Based on the analysis of the permittivity spectra, we demonstrate that the conductivity relaxation process provides information on ion diffusion and the magnitude of cross-correlation effects between ionic motions. A new approach ismore » introduced which is able to estimate ionic diffusivities from the characteristic times of conductivity relaxation and ion concentration without any adjustable parameters. Furthermore, this opens the venue for a deeper understanding of charge transport in concentrated and diluted electrolyte solutions.« less

Real-space analysis of diffusion behavior and activation energy of individual monatomic ions in a liquid.

PubMed

Miyata, Tomohiro; Uesugi, Fumihiko; Mizoguchi, Teruyasu

2017-12-01

Investigation of the local dynamic behavior of atoms and molecules in liquids is crucial for revealing the origin of macroscopic liquid properties. Therefore, direct imaging of single atoms to understand their motions in liquids is desirable. Ionic liquids have been studied for various applications, in which they are used as electrolytes or solvents. However, atomic-scale diffusion and relaxation processes in ionic liquids have never been observed experimentally. We directly observe the motion of individual monatomic ions in an ionic liquid using scanning transmission electron microscopy (STEM) and reveal that the ions diffuse by a cage-jump mechanism. Moreover, we estimate the diffusion coefficient and activation energy for the diffusive jumps from the STEM images, which connect the atomic-scale dynamics to macroscopic liquid properties. Our method is the only available means to observe the motion, reactions, and energy barriers of atoms/molecules in liquids.

Diffusion in cementitious materials. 2: Further investigations of chloride and oxygen diffusion in well-cured OPC and OPC/30%PFA pastes

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

Ngala, V.T.; Page, C.L.; Parrott, L.J.

1995-05-01

Steady-state diffusion of dissolved oxygen and chloride ions in hydrated OPC and OPC/30%PFA pastes, hydrated for 2 weeks at 20 C and 10 weeks at 38 C, was studied at water/binder (w/s) ratios 0.4, 0.5, 0.6 and 0.7. Total porosity and a simple measure of capillary porosity, the volume fractions of the water lost in specimens from a saturated surface dry condition to a near-constant weight at 90.7% relative humidity, were also determined. The diffusion rate of chloride ions diminished markedly, to very low values, as the capillary porosity approached zero. For a given w/s ratio or capillary porosity themore » chloride ion diffusion coefficient for OPC/30%PFA pastes was about one order of magnitude smaller than that to OPC pastes. The rate of diffusion of dissolved oxygen also diminished as the capillary porosity reduced but it was still significant as the capillary porosity approached zero. For a given capillary porosity the oxygen diffusion coefficient for OPC/30%PFA pastes was about 30% smaller than that for OPC pastes. The results support the view that chloride ion diffusion in pastes of low capillary porosity is retarded by the surface charge of the hydrated cement gel. In contrast, the hydrated cement gel is much more permeable to the similarly-sized, neutral oxygen molecule.« less

Reduction of ion thermal diffusivity associated with the transition of the radial electric field in neutral-beam-heated plasmas in the large helical device.

PubMed

Ida, K; Funaba, H; Kado, S; Narihara, K; Tanaka, K; Takeiri, Y; Nakamura, Y; Ohyabu, N; Yamazaki, K; Yokoyama, M; Murakami, S; Ashikawa, N; deVries, P C; Emoto, M; Goto, M; Idei, H; Ikeda, K; Inagaki, S; Inoue, N; Isobe, M; Itoh, K; Kaneko, O; Kawahata, K; Khlopenkov, K; Komori, A; Kubo, S; Kumazawa, R; Liang, Y; Masuzaki, S; Minami, T; Miyazawa, J; Morisaki, T; Morita, S; Mutoh, T; Muto, S; Nagayama, Y; Nakanishi, H; Nishimura, K; Noda, N; Notake, T; Kobuchi, T; Ohdachi, S; Ohkubo, K; Oka, Y; Osakabe, M; Ozaki, T; Pavlichenko, R O; Peterson, B J; Sagara, A; Saito, K; Sakakibara, S; Sakamoto, R; Sanuki, H; Sasao, H; Sasao, M; Sato, K; Sato, M; Seki, T; Shimozuma, T; Shoji, M; Suzuki, H; Sudo, S; Tamura, N; Toi, K; Tokuzawa, T; Torii, Y; Tsumori, K; Yamamoto, T; Yamada, H; Yamada, I; Yamaguchi, S; Yamamoto, S; Yoshimura, Y; Watanabe, K Y; Watari, T; Hamada, Y; Motojima, O; Fujiwara, M

2001-06-04

Recent large helical device experiments revealed that the transition from ion root to electron root occurred for the first time in neutral-beam-heated discharges, where no nonthermal electrons exist. The measured values of the radial electric field were found to be in qualitative agreement with those estimated by neoclassical theory. A clear reduction of ion thermal diffusivity was observed after the mode transition from ion root to electron root as predicted by neoclassical theory when the neoclassical ion loss is more dominant than the anomalous ion loss.

Ultra-light Hierarchical Graphene Electrode for Binder-Free Supercapacitors and Lithium-Ion Battery Anodes.

PubMed

Zuo, Zicheng; Kim, Tae Young; Kholmanov, Iskandar; Li, Huifeng; Chou, Harry; Li, Yuliang

2015-10-07

A mild and environmental-friendly method is developed for fabricating a 3D interconnected graphene electrode with large-scale continuity. Such material has interlayer pores between reduced graphene oxide nanosheets and in-plane pores. Hence, a specific surface area up to 835 m(2) g(-1) and a high powder conductivity up to 400 S m(-1) are achieved. For electrochemical applications, the interlayer pores can serve as "ion-buffering reservoirs" while in-plane ones act as "channels" for shortening the mass cross-plane diffusion length, reducing the ion response time, and prevent the interlayer restacking. As binder-free supercapacitor electrode, it delivers a specific capacitance up to 169 F g(-1) with surface-normalized capacitance close to 21 μF cm(-2) (intrinsic capacitance) and power density up to 7.5 kW kg(-1), in 6 m KOH aqueous electrolyte. In the case of lithium-ion battery anode, it shows remarkable advantages in terms of the initiate reversible Coulombic efficiency (61.3%), high specific capacity (932 mAh g(-1) at 100 mA g(-1)), and robust long-term retention (93.5% after 600 cycles at 2000 mAh g(-1)). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

PubMed

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

2017-12-01

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

Self-diffusion of electrolyte species in model battery electrodes using Magic Angle Spinning and Pulsed Field Gradient Nuclear Magnetic Resonance

NASA Astrophysics Data System (ADS)

Tambio, Sacris Jeru; Deschamps, Michaël; Sarou-Kanian, Vincent; Etiemble, Aurélien; Douillard, Thierry; Maire, Eric; Lestriez, Bernard

2017-09-01

Lithium-ion batteries are electrochemical storage devices using the electrochemical activity of the lithium ion in relation to intercalation compounds owing to mass transport phenomena through diffusion. Diffusion of the lithium ion in the electrode pores has been poorly understood due to the lack of experimental techniques for measuring its self-diffusion coefficient in porous media. Magic-Angle Spinning, Pulsed Field Gradient, Stimulated-Echo Nuclear Magnetic Resonance (MAS-PFG-STE NMR) was used here for the first time to measure the self-diffusion coefficients of the electrolyte species in the LP30 battery electrolyte (i.e. a 1 M solution of LiPF6 dissolved in 1:1 Ethylene Carbonate - Dimethyl Carbonate) in model composites. These composite electrodes were made of alumina, carbon black and PVdF-HFP. Alumina's magnetic susceptibility is close to the measured magnetic susceptibility of the LP30 electrolyte thereby limiting undesirable internal field gradients. Interestingly, the self-diffusion coefficient of lithium ions decreases with increasing carbon content. FIB-SEM was used to describe the 3D geometry of the samples. The comparison between the reduction of self-diffusion coefficients as measured by PFG-NMR and as geometrically derived from FIB/SEM tortuosity values highlights the contribution of specific interactions at the material/electrolyte interface on the lithium transport properties.

Adsorption and diffusion of mono, di, and trivalent ions on two-dimensional TiS2

NASA Astrophysics Data System (ADS)

Samad, Abdus; Shafique, Aamir; Shin, Young-Han

2017-04-01

A comparative study of the monovalent (Li, Na, and K) and multivalent (Be, Mg, Ca, and Al) metal ion adsorption and diffusion on an electronically semi-metallic two-dimensional nanosheet of 1T structured TiS2 is presented here to contribute to the search for abundant, cheap, and nontoxic ingredients for efficient rechargeable metal ion batteries. The total formation energy of the metal ion adsorption and the Bader charge analysis show that the divalent Mg and Ca ions can have a charge storage density double that of the monovalent Li, Na, and K ions, while the Be and Al ions form metallic clusters even at a low adsorption density because of their high bulk energies. The adsorption of Mg ions shows the lowest averaged open circuit voltage (0.13 V). The activation energy barriers for the diffusion of metal ions on the surface of the monolayer successively decrease from Li to K and Be to Ca. Mg and Ca, being divalent, are capable of storing a higher power density than Li while K and Na have a higher rate capability than the Li ions. Therefore, rechargeable Li ion batteries can be totally or partially replaceable by Mg ion batteries, where high power density and high cell voltage are required, while the abundant, cheap, and fast Na ions can be used for green grid applications.

Diffusion across the modified polyethylene separator GX in the heat-sterilizable AgO-Zn battery

NASA Technical Reports Server (NTRS)

Lutwack, R.

1973-01-01

Models of diffusion across an inert membrane have been studied using the computer program CINDA. The models were constructed to simulate various conditions obtained in the consideration of the diffusion of Ag (OH)2 ions in the AgO-Zn battery. The effects on concentrations across the membrane at the steady state and on the fluxout as a function of time were used to examine the consequences of stepwise reducing the number of sources of ions, of stepwise blocking the source and sink surfaces, of varying the magnitude of the diffusion coefficient for a uniform membrane, of varying the diffusion coefficient across the membrane, and of excluding volumes to diffusion.

Complete suppression of boron transient-enhanced diffusion and oxidation-enhanced diffusion in silicon using localized substitutional carbon incorporation

NASA Astrophysics Data System (ADS)

Carroll, M. S.; Chang, C.-L.; Sturm, J. C.; Büyüklimanli, T.

1998-12-01

In this letter, we show the ability, through introduction of a thin Si1-x-yGexCy layer, to eliminate the enhancement of enhanced boron diffusion in silicon due to an oxidizing surface or ion implant damage. This reduction of diffusion is accomplished through a low-temperature-grown thin epitaxial Si1-x-yGexCy layer which completely filters out excess interstitials introduced by oxidation or ion implant damage. We also quantify the oxidation-enhanced diffusion (OED) and transient-enhanced diffusion (TED) dependence on substitutional carbon level, and further report both the observation of carbon TED and OED, and its dependence on carbon levels.

Effect of double layers on magnetosphere-ionosphere coupling

NASA Technical Reports Server (NTRS)

Lysak, Robert L.; Hudson, Mary K.

1987-01-01

The dynamic aspects of auroral current structures are reviewed with emphasis on consequences for models of microscopic turbulence (MT). A number of models of MT are introduced into a large-scale model of Alfven wave propagation to determine the effect of various models on the overall structure of auroral currents. The effect of a double layer (DL) electric field which scales with the plasma temperature and the Debye length is compared with the effect of anomalous resistivity due to electrostatic ion cyclotron turbulence in which the electric field scales with the magnetic field strength. It is shown that the DL model is less diffusive than the resistive model, indicating the possibility of narrow intense current structures.

One-dimensional α-MoO3 nanorods for high energy density pseudocapacitor

NASA Astrophysics Data System (ADS)

Dutta, Shibsankar; Pal, Shreyasi; De, Sukanta

2018-04-01

Ultralong α-MoO3 nanorods having length of 500 nm to 1 µm and uniform width of around ˜50 nm have been synthesized by a simple one step hydrothermal route using a molybdenum organic salt precursor. An evaluation of the electrochemical properties of the nanorods was done by cyclic voltammetry (CV), and galvanometric charging- discharging (GCD) test. Because of the high active sites and rapid ion diffusion and electron transport of the electrodes using as prepared nanorods reveals energy density of 65 Wh/kg at a power density of 940 W/ kg and a maximum specific capacitance of 474 F/g. It also shows excellent cycling stability.

Robust binder-free anodes assembled with ultralong mischcrystal TiO2 nanowires and reduced graphene oxide for high-rate and long cycle life lithium-ion storage

NASA Astrophysics Data System (ADS)

Shi, Yongzheng; Yang, Dongzhi; Yu, Ruomeng; Liu, Yaxin; Hao, Shu-Meng; Zhang, Shiyi; Qu, Jin; Yu, Zhong-Zhen

2018-04-01

To satisfy increasing power demands of mobile devices and electric vehicles, rationally designed electrodes with short diffusion length are highly imperative to provide highly efficient ion and electron transport paths for high-rate and long-life lithium-ion batteries. Herein, binder-free electrodes with the robust three-dimensional conductive network are prepared by assembling ultralong TiO2 nanowires with reduced graphene oxide (RGO) sheets for high-performance lithium-ion storage. Ultralong TiO2 nanowires are synthesized and used to construct an interconnecting network that avoids the use of inert auxiliary additives of polymer binders and conductive agents. By thermal annealing, a small amount of anatase is generated in situ in the TiO2(B) nanowires to form abundant TiO2(B)/anatase interfaces for accommodating additional lithium ions. Simultaneously, RGO sheets efficiently enhance the electronic conductivity and enlarge the specific surface area of the TiO2/RGO nanocomposite. The robust 3D network in the binder-free electrode not only effectively avoids the agglomeration of TiO2/RGO components during the long-term charging/discharging process, but also provides direct and fast ion/electron transport paths. The binder-free electrode exhibits a high reversible capacity of 259.9 mA h g-1 at 0.1 C and an excellent cycling performance with a high reversible capacity of 111.9 mA h g-1 at 25 C after 5000 cycles.

Timing considerations for preclinical MRgRT: effects of ion diffusion, SNR and imaging times on FXG gel calibration

NASA Astrophysics Data System (ADS)

Welch, M.; Foltz, W. D.; Jaffray, D. A.

2015-01-01

Sub-millimeter resolution images are required for gel dosimeters to be used in preclinical research, which is challenging for MR probed ferrous xylenol-orange (FXG) dosimeters due to ion diffusion and inadequate SNR. A preclinical 7 T MR, small animal irradiator and FXG dosimeters were used in all experiments. Ion diffusion was analyzed using high resolution (0.2 mm/pixel) T1 MR images collected every 5 minutes, post-irradiation, for an hour. Using Fick's second law, ion diffusion was approximated for the first hour post-irradiation. SNR, T1 map precision and calibration fit were determined for two MR protocols: (1) 10 minute acquisition, 0.35mm/pixel and 3mm slices, (2) 45 minute acquisition, 0. 25 mm/pixel and 2 mm slices. SNR and T1 map precision were calculated using a Monte Carlo simulation. Calibration curves were determined by plotting R1 relaxation rates versus depth dose data, and fitting a linear trend line. Ion diffusion was estimated as 0.003mm2 in the first hour post-irradiation. For protocols (1) and (2) respectively, Monte Carlo simulation predicted T1 precisions of 3% and 5% within individual voxels using experimental SNRs; the corresponding measured T1 precisions were 8% and 12%. The linear trend lines reported slopes of 27 ± 3 Gy*s (R2: 0.80 ± 0.04) and 27 ± 4 Gy*s (R2: 0.90 ± 0.04). Ion diffusion is negligible within the first hour post-irradiation, and an accurate and reproducible calibration can be achieved in a preclinical setting with sub-millimeter resolution.

Negative Ion Drift Velocity and Longitudinal Diffusion in Mixtures of Carbon Disulfide and Methane

NASA Technical Reports Server (NTRS)

Dion, Michael P.; Son, S.; Hunter, S. D.; deNolfo, G. A.

2011-01-01

Negative ion drift velocity and longitudinal diffusion has been measured for gas mixtures of carbon disulfide (CS2) and methane (CH4)' Measurements were made as a function of total pressure, CS2 partial pressure and electric field. Constant mobility and thermal-limit longitudinal diffusion is observed for all gas mixtures tested. Gas gain for some of the mixtures is also included.

Improved yields for MOST’s using ion implantation

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

Brockman, H. E.

1976-04-01

Conventionally diffused source and drain polysilicon gate MOST's commonly exhibit one type of fault, namely, that of polysilicon-to-diffusion short circuits. Investigations into the yields of large-area devices fabricated using ion-implanted sources and drains are compared with those of diffused structures. An improved technology for the chemical shaping of the polysilicon gates, which improves the yields for both types of devices, is also described. (AIP)

Lithium-ions diffusion kinetic in LiFePO4/carbon nanoparticles synthesized by microwave plasma chemical vapor deposition for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Gao, Chao; Zhou, Jian; Liu, Guizhen; Wang, Lin

2018-03-01

Olivine structure LiFePO4/carbon nanoparticles are synthesized successfully using a microwave plasma chemical vapor deposition (MPCVD) method. Microwave is an effective method to synthesize nanomaterials, the LiFePO4/carbon nanoparticles with high crystallinity can shorten diffusion routes for ionic transfer and electron tunneling. Meanwhile, a high quality, complete and homogenous carbon layer with appropriate thickness coating on the surface of LiFePO4 particles during in situ chemical vapor deposition process, which can ensure that electrons are able to transfer fast enough from all sides. Electrochemical impedance spectroscopy (EIS) is carried out to collect information about the kinetic behavior of lithium diffusion in LiFePO4/carbon nanoparticles during the charging and discharging processes. The chemical diffusion coefficients of lithium ions, DLi, are calculated in the range of 10-15-10-9 cm2s-1. Nanoscale LiFePO4/carbon particles show the longer regions of the faster solid-solution diffusion, and corresponding to the narrower region of the slower two-phase diffusion during the insertion/exaction of lithium ions. The CV and galvanostatic charge-discharge measurements show that the LiFePO4/carbon nanoparticles perform an excellent electrochemical performance, especially the high rate capacity and cycle life.

Communication: Modeling of concentration dependent water diffusivity in ionic solutions: Role of intermolecular charge transfer

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

Yao, Yi; Berkowitz, Max L., E-mail: maxb@unc.edu, E-mail: ykanai@unc.edu; Kanai, Yosuke, E-mail: maxb@unc.edu, E-mail: ykanai@unc.edu

2015-12-28

The translational diffusivity of water in solutions of alkali halide salts depends on the identity of ions, exhibiting dramatically different behavior even in solutions of similar salts of NaCl and KCl. The water diffusion coefficient decreases as the salt concentration increases in NaCl. Yet, in KCl solution, it slightly increases and remains above bulk value as salt concentration increases. Previous classical molecular dynamics simulations have failed to describe this important behavior even when polarizable models were used. Here, we show that inclusion of dynamical charge transfer among water molecules produces results in a quantitative agreement with experiments. Our results indicatemore » that the concentration-dependent diffusivity reflects the importance of many-body effects among the water molecules in aqueous ionic solutions. Comparison with quantum mechanical calculations shows that a heterogeneous and extended distribution of charges on water molecules around the ions due to ion-water and also water-water charge transfer plays a very important role in controlling water diffusivity. Explicit inclusion of the charge transfer allows us to model accurately the difference in the concentration-dependent water diffusivity between Na{sup +} and K{sup +} ions in simulations, and it is likely to impact modeling of a wide range of systems for medical and technological applications.« less

Ion conduction mechanisms and thermal properties of hydrated and anhydrous phosphoric acids studied with 1H, 2H, and 31P NMR.

PubMed

Aihara, Yuichi; Sonai, Atsuo; Hattori, Mineyuki; Hayamizu, Kikuko

2006-12-14

To understand the behaviors of phosphoric acids in fuel cells, the ion conduction mechanisms of phosphoric acids in condensed states without free water and in a monomer state with water were studied by measuring the ionic conductivity (sigma) using AC impedance, thermal properties, and self-diffusion coefficients (D) and spin-lattice relaxation times (T1) with multinuclear NMR. The self-diffusion coefficient of the protons (H+ or H3O+), H2O, and H located around the phosphate were always larger than the diffusion coefficients of the phosphates and the disparity increased with increasing phosphate concentration. The diffusion coefficients of the samples containing D2O paralleled those in the protonated samples. Since the 1H NMR T1 values exhibited a minimum with temperature, it was possible to determine the correlation times and they were found to be of nanosecond order for a distance of nanometer order for a flip. The agreement of the ionic conductivities measured directly and those calculated from the diffusion coefficients indicates that the ion conduction obeys the Nernst-Einstein equation in the condensed phosphoric acids. The proton diffusion plays a dominant role in the ion conduction, especially in the condensed phosphoric acids.

Lifetime and diffusion length measurements on silicon material and solar cells

NASA Technical Reports Server (NTRS)

Othmer, S.; Chen, S. C.

1978-01-01

Experimental methods were evaluated for the determination of lifetime and diffusion length in silicon intentionally doped with potentially lifetime-degrading impurities found in metallurgical grade silicon, impurities which may be residual in low-cost silicon intended for use in terrestrial flat-plate arrays. Lifetime measurements were made using a steady-state photoconductivity method. Diffusion length determinations were made using short-circuit current measurements under penetrating illumination. Mutual consistency among all experimental methods was verified, but steady-state photoconductivity was found preferable to photoconductivity decay at short lifetimes and in the presence of traps. The effects of a number of impurities on lifetime in bulk material, and on diffusion length in cells fabricated from this material, were determined. Results are compared with those obtained using different techniques. General agreement was found in terms of the hierarchy of impurities which degrade the lifetime.

Effects of superparamagnetic iron oxide nanoparticles on the longitudinal and transverse relaxation of hyperpolarized xenon gas

NASA Astrophysics Data System (ADS)

Burant, Alex; Antonacci, Michael; McCallister, Drew; Zhang, Le; Branca, Rosa Tamara

2018-06-01

SuperParamagnetic Iron Oxide Nanoparticles (SPIONs) are often used in magnetic resonance imaging experiments to enhance Magnetic Resonance (MR) sensitivity and specificity. While the effect of SPIONs on the longitudinal and transverse relaxation time of 1H spins has been well characterized, their effect on highly diffusive spins, like those of hyperpolarized gases, has not. For spins diffusing in linear magnetic field gradients, the behavior of the magnetization is characterized by the relative size of three length scales: the diffusion length, the structural length, and the dephasing length. However, for spins diffusing in non-linear gradients, such as those generated by iron oxide nanoparticles, that is no longer the case, particularly if the diffusing spins experience the non-linearity of the gradient. To this end, 3D Monte Carlo simulations are used to simulate the signal decay and the resulting image contrast of hyperpolarized xenon gas near SPIONs. These simulations reveal that signal loss near SPIONs is dominated by transverse relaxation, with little contribution from T1 relaxation, while simulated image contrast and experiments show that diffusion provides no appreciable sensitivity enhancement to SPIONs.

Coupling between the Dynamics of Water and Surfactants in Lyotropic Liquid Crystals.

PubMed

McDaniel, Jesse G; Yethiraj, Arun

2017-05-18

Bilayers composed of lipid or surfactant molecules are central to biological membranes and lamellar lyotropic liquid crystalline (LLC) phases. Common to these systems are phases that exhibit either ordered or disordered packing of the hydrophobic tails. In this work, we study the impact of surfactant ordering, i.e., disordered L α and ordered L β LLC phases, on the dynamics of water and sodium ions in the lamellar phases of dicarboxylate gemini surfactants. We study the different phases at identical hydration levels by changing the length of the hydrophobic tails; surfactants with shorter tails form L α phases and those with longer tails form L β phases. We find that the L α phases exhibit lower density and greater compressibility than the L β phases, with a hydration-dependent headgroup surface area. These structural differences significantly affect the relative dynamic properties of the phases, primarily the mobility of the surfactant molecules tangential to the bilayer surface, as well as the rates of water and ion diffusion. We find ∼20-50% faster water diffusion in the L α phases compared to the L β phases, with the differences most pronounced at low hydration. This coupling between water dynamics and surfactant mobility is verified using additional simulations in which the surfactant tails are frozen. Our study indicates that gemini surfactant LLCs provide an important prototypical system for characterizing properties shared with more complex biological lipid membranes.

Linearized finite-element method solution of the ion-exchange nonlinear diffusion model

NASA Astrophysics Data System (ADS)

Badr, Mohamed M.; Swillam, Mohamed A.

2017-04-01

Ion-exchange process is one of the most common techniques used in glass waveguide fabrication. This has many advantages, such as low cost, ease of implementation, and simple equipment requirements. The technology is based on the substitution of some of the host ions in the glass (typically Na+) with other ions that possess different characteristics in terms of size and polarizability. The newly diffused ions produce a region with a relatively higher refractive index in which the light could be guided. A critical issue arises when it comes to designing such waveguides, which is carefully and precisely determining the resultant index profile. This task has been proven to be hideous as the process is generally governed by a nonlinear diffusion model with no direct general analytical solution. Furthermore, numerical solutions become unreliable-in terms of stability and mean squared error-in some cases, especially the K+-Na+ ion-exchanged waveguide, which is the best candidate to produce waveguides with refractive index differences compatible with those of the commercially available optical fibers. Linearized finite-element method formulations were used to provide a reliable tool that could solve the nonlinear diffusion model of the ion-exchange in both one- and two-dimensional spaces. Additionally, the annealed channel waveguide case has been studied. In all cases, unprecedented stability and minimum mean squared error could be achieved.

Web interface for Brownian dynamics simulation of ion transport and its applications to beta-barrel pores.

PubMed

Lee, Kyu Il; Jo, Sunhwan; Rui, Huan; Egwolf, Bernhard; Roux, Benoît; Pastor, Richard W; Im, Wonpil

2012-01-30

Brownian dynamics (BD) based on accurate potential of mean force is an efficient and accurate method for simulating ion transport through wide ion channels. Here, a web-based graphical user interface (GUI) is presented for carrying out grand canonical Monte Carlo (GCMC) BD simulations of channel proteins: http://www.charmm-gui.org/input/gcmcbd. The webserver is designed to help users avoid most of the technical difficulties and issues encountered in setting up and simulating complex pore systems. GCMC/BD simulation results for three proteins, the voltage dependent anion channel (VDAC), α-Hemolysin (α-HL), and the protective antigen pore of the anthrax toxin (PA), are presented to illustrate the system setup, input preparation, and typical output (conductance, ion density profile, ion selectivity, and ion asymmetry). Two models for the input diffusion constants for potassium and chloride ions in the pore are compared: scaling of the bulk diffusion constants by 0.5, as deduced from previous all-atom molecular dynamics simulations of VDAC, and a hydrodynamics based model (HD) of diffusion through a tube. The HD model yields excellent agreement with experimental conductances for VDAC and α-HL, while scaling bulk diffusion constants by 0.5 leads to underestimates of 10-20%. For PA, simulated ion conduction values overestimate experimental values by a factor of 1.5-7 (depending on His protonation state and the transmembrane potential), implying that the currently available computational model of this protein requires further structural refinement. Copyright © 2011 Wiley Periodicals, Inc.

Web Interface for Brownian Dynamics Simulation of Ion Transport and Its Applications to Beta-Barrel Pores

PubMed Central

Lee, Kyu Il; Jo, Sunhwan; Rui, Huan; Egwolf, Bernhard; Roux, Benoît; Pastor, Richard W.; Im, Wonpil

2011-01-01

Brownian dynamics (BD) in a suitably constructed potential of mean force is an efficient and accurate method for simulating ion transport through wide ion channels. Here, a web-based graphical user interface (GUI) is presented for grand canonical Monte Carlo (GCMC) BD simulations of channel proteins: http://www.charmm-gui.org/input/gcmcbd. The webserver is designed to help users avoid most of the technical difficulties and issues encountered in setting up and simulating complex pore systems. GCMC/BD simulation results for three proteins, the voltage dependent anion channel (VDAC), α-Hemolysin, and the protective antigen pore of the anthrax toxin (PA), are presented to illustrate system setup, input preparation, and typical output (conductance, ion density profile, ion selectivity, and ion asymmetry). Two models for the input diffusion constants for potassium and chloride ions in the pore are compared: scaling of the bulk diffusion constants by 0.5, as deduced from previous all-atom molecular dynamics simulations of VDAC; and a hydrodynamics based model (HD) of diffusion through a tube. The HD model yields excellent agreement with experimental conductances for VDAC and α-Hemolysin, while scaling bulk diffusion constants by 0.5 leads to underestimates of 10–20%. For PA, simulated ion conduction values overestimate experimental values by a factor of 1.5 to 7 (depending on His protonation state and the transmembrane potential), implying that the currently available computational model of this protein requires further structural refinement. PMID:22102176

Diffusion dynamics of the Li+ ion on a model surface of amorphous carbon: a direct molecular orbital dynamics study.

PubMed

Tachikawa, Hiroto; Shimizu, Akira

2005-07-14

Diffusion processes of the Li+ ion on a model surface of amorphous carbon (Li+C96H24 system) have been investigated by means of the direct molecular orbital (MO) dynamics method at the semiempirical AM1 level. The total energy and energy gradient on the full-dimensional AM1 potential energy surface were calculated at each time step in the dynamics calculation. The optimized structure, where Li+ is located in the center of the cluster, was used as the initial structure at time zero. The dynamics calculation was carried out in the temperature range 100-1000 K. The calculations showed that the Li+ ion vibrates around the equilibrium point below 200 K, while the Li+ ion moves on the surface above 250 K. At intermediate temperatures (300 K < T < 400 K), the ion moves on the surface and falls in the edge regions of the cluster. At higher temperatures (600 K < T), the Li+ ion transfers freely on the surface and edge regions. The diffusion pathway of the Li+ ion was discussed on the basis of theoretical results.

Enhanced nitrogen diffusion induced by atomic attrition

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

Ochoa, E.A.; Figueroa, C.A.; Czerwiec, T.

2006-06-19

The nitrogen diffusion in steel is enhanced by previous atomic attrition with low energy xenon ions. The noble gas bombardment generates nanoscale texture surfaces and stress in the material. The atomic attrition increases nitrogen diffusion at lower temperatures than the ones normally used in standard processes. The stress causes binding energy shifts of the Xe 3d{sub 5/2} electron core level. The heavy ion bombardment control of the texture and stress of the material surfaces may be applied to several plasma processes where diffusing species are involved.

Self-diffusion and conductivity in an ultracold strongly coupled plasma: Calculation by the method of molecular dynamics

NASA Astrophysics Data System (ADS)

Zelener, B. B.; Zelener, B. V.; Manykin, E. A.; Bronin, S. Ya; Bobrov, A. A.; Khikhlukha, D. R.

2018-01-01

We present results of calculations by the method of molecular dynamics of self-diffusion and conductivity of electron and ion components of ultracold plasma in a comparison with available theoretical and experimental data. For the ion self-diffusion coefficient, good agreement was obtained with experiments on ultracold plasma. The results of the calculation of self-diffusion also agree well with other calculations performed for the same values of the coupling parameter, but at high temperatures. The difference in the results of the conductivity calculations on the basis of the current autocorrelation function and on the basis of the diffusion coefficient is discussed.

Computationally Guided Design of Polymer Electrolytes for Battery Applications

NASA Astrophysics Data System (ADS)

Wang, Zhen-Gang; Webb, Michael; Savoie, Brett; Miller, Thomas

We develop an efficient computational framework for guiding the design of polymer electrolytes for Li battery applications. Short-times molecular dynamics (MD) simulations are employed to identify key structural and dynamic features in the solvation and motion of Li ions, such as the structure of the solvation shells, the spatial distribution of solvation sites, and the polymer segmental mobility. Comparative studies on six polyester-based polymers and polyethylene oxide (PEO) yield good agreement with experimental data on the ion conductivities, and reveal significant differences in the ion diffusion mechanism between PEO and the polyesters. The molecular insights from the MD simulations are used to build a chemically specific coarse-grained model in the spirit of the dynamic bond percolation model of Druger, Ratner and Nitzan. We apply this coarse-grained model to characterize Li ion diffusion in several existing and yet-to-be synthesized polyethers that differ by oxygen content and backbone stiffness. Good agreement is obtained between the predictions of the coarse-grained model and long-timescale atomistic MD simulations, thus providing validation of the model. Our study predicts higher Li ion diffusivity in poly(trimethylene oxide-alt-ethylene oxide) than in PEO. These results demonstrate the potential of this computational framework for rapid screening of new polymer electrolytes based on ion diffusivity.

The Snakelike Chain Character of Unstructured RNA

PubMed Central

Jacobson, David R.; McIntosh, Dustin B.; Saleh, Omar A.

2013-01-01

In the absence of base-pairing and tertiary structure, ribonucleic acid (RNA) assumes a random-walk conformation, modulated by the electrostatic self-repulsion of the charged, flexible backbone. This behavior is often modeled as a Kratky-Porod “wormlike chain” (WLC) with a Barrat-Joanny scale-dependent persistence length. In this study we report measurements of the end-to-end extension of poly(U) RNA under 0.1 to 10 pN applied force and observe two distinct elastic-response regimes: a low-force, power-law regime characteristic of a chain of swollen blobs on long length scales and a high-force, salt-valence-dependent regime consistent with ion-stabilized crumpling on short length scales. This short-scale structure is additionally supported by force- and salt-dependent quantification of the RNA ion atmosphere composition, which shows that ions are liberated under stretching; the number of ions liberated increases with increasing bulk salt concentration. Both this result and the observation of two elastic-response regimes directly contradict the WLC model, which predicts a single elastic regime across all forces and, when accounting for scale-dependent persistence length, the opposite trend in ion release with salt concentration. We conclude that RNA is better described as a “snakelike chain,” characterized by smooth bending on long length scales and ion-stabilized crumpling on short length scales. In monovalent salt, these two regimes are separated by a characteristic length that scales with the Debye screening length, highlighting the determining importance of electrostatics in RNA conformation. PMID:24314087

Ion pair and solvation dynamics of [Bmim][BF4 ] + water system.

PubMed

Cascão, João; Silva, Wagner; Ferreira, Ana S D; Cabrita, Eurico J

2018-02-01

In this work, 1-butyl-3-methylimidazolium tetrafluoroborate/water mixtures were analysed over the whole water composition (x w ) in order to study the rotational and translational behaviour of the ions. We employed a multinuclear NMR approach to determine anion/cation/water diffusion coefficients and longitudinal relaxation rates at different water content. In neat ionic liquids (IL), the cation diffuses faster than the anion, and at low x w , anions and cations share almost the same diffusion coefficient, but above a critical water concentration, the anion begins to diffuse faster than the cation. We identified this composition as approximately 10% x w where the ions share the same diffusion coefficient. We found that the water at this composition seems to have a much more dramatic effect in the rotational diffusion of the anion that decreases substantially and approaches that of the anion in the diluted IL. Translational and rotational dynamics of the ions suggest that water is first incorporated in pockets in the nanostructure of the IL allowing the ions to maintain most of the cation/anion interactions present in neat IL but already disrupting some anion/cation interactions due to preferential interaction with the anion. HOESY and NOESY data show that water displays contacts both with the cation and the anion in a positive NOE regime in contrary to the negative regime found for the cation/anion and cation/cation cross-relaxation. This is in accordance with the high relative diffusion coefficient of water and suggests that water molecules can exchange between preferential location sites that allow water to maintain contacts both with the anion and cation. Copyright © 2017 John Wiley & Sons, Ltd.

The mixing mechanism during lithiation of Si negative electrode in Li-ion batteries: an ab initio molecular dynamics study.

PubMed

Johari, Priya; Qi, Yue; Shenoy, Vivek B

2011-12-14

In order to realize Si as a negative electrode material in commercial Li-ion batteries, it is important to understand the mixing mechanism of Li and Si, and stress evolution during lithiation in Si negative electrode of Li-ion batteries. Available experiments mainly provide the diffusivity of Li in Si as an averaged property, neglecting information regarding diffusivity of Si. However, if Si can diffuse as fast as Li, the stress generated during Li diffusion can be reduced. We, therefore, studied the diffusivity of Li as well as Si atoms in the Si-anode of Li-ion battery using an ab initio molecular dynamics-based methodology. The electrochemical insertion of Li into crystalline Si prompts a crystalline-to-amorphous phase transition. We considered this situation and thus examined the diffusion kinetics of Li and Si atoms in both crystalline and amorphous Si. We find that Li diffuses faster in amorphous Si as compared to crystalline Si, while Si remains relatively immobile in both cases and generates stresses during lithiation. To further understand the mixing mechanism and to relate the structure with electrochemical mixing, we analyzed the evolution of the structure during lithiation and studied the mechanism of breaking of Si-Si network by Li. We find that Li atoms break the Si rings and chains and create ephemeral structures such as stars and boomerangs, which eventually transform to Si-Si dumbbells and isolated Si atoms in the LiSi phase. Our results are found to be in agreement with the available experimental data and provide insights into the mixing mechanism of Li and Si in Si negative electrode of Li-ion batteries.

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

Strelcov, Evgheni; Cothren, Joshua E.; Leonard, Donovan N.

Progress in rational engineering of Li-ion batteries requires better understanding of the electrochemical processes and accompanying transformations in the electrode materials on multiple length scales. In spite of recent progress in utilizing transmission electron microscopy (TEM) to analyze these materials, in situ scanning electron microscopy (SEM) was mostly overlooked as a powerful tool that allows probing these phenomena on the nano and mesoscale. In this paper, we report on in situ SEM study of lithiation in a V 2O 5-based single-nanobelt battery with ionic liquid electrolyte. Coupled with cyclic voltammetry measurements, in situ SEM revealed the peculiarities of subsurface intercalation,more » formation of solid-electrolyte interface (SEI) and electromigration of liquid. We observed that single-crystalline vanadia nanobelts do not undergo large-scale amorphization or fracture during electrochemical cycling, but rather transform topochemically with only a slight shape distortion. Lastly, the SEI layer seems to have significant influence on the lithium ion diffusion and overall capacity of the single-nanobelt battery.« less

Composite WO3/TiO2 nanostructures for high electrochromic activity.

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

Reyes, Karla Rosa; Stephens, Zachary Dan.; Robinson, David B.

2013-05-01

A composite material consisting of TiO2 nanotubes (NTs) with WO3 electrodeposited homogeneously on its surface has been fabricated, detached from its substrate, and attached to a fluorine-doped tin oxide film on glass for application to electrochromic (EC) reactions. A paste of TiO2 made from commercially available TiO2 nanoparticles creates an interface for the TiO2 NT film to attach to the FTO glass, which is conductive and does not cause solution-phase ions in an electrolyte to bind irreversibly with the material. The effect of NT length on the current density and the EC contrast of the material were studied. The ECmore » redox reaction seen in this material is diffusion- limited, having relatively fast reaction rates at the electrode surface. The composite WO3/TiO2 nanostructures showed higher ion storage capacity, better stability, enhanced EC contrast and longer memory time compared with the pure WO3 and TiO2.« less

A hybrid model describing ion induced kinetic electron emission

NASA Astrophysics Data System (ADS)

Hanke, S.; Duvenbeck, A.; Heuser, C.; Weidtmann, B.; Wucher, A.

2015-06-01

We present a model to describe the kinetic internal and external electron emission from an ion bombarded metal target. The model is based upon a molecular dynamics treatment of the nuclear degree of freedom, the electronic system is assumed as a quasi-free electron gas characterized by its Fermi energy, electron temperature and a characteristic attenuation length. In a series of previous works we have employed this model, which includes the local kinetic excitation as well as the rapid spread of the generated excitation energy, in order to calculate internal and external electron emission yields within the framework of a Richardson-Dushman-like thermionic emission model. However, this kind of treatment turned out to fail in the realistic prediction of experimentally measured internal electron yields mainly due to the restriction of the treatment of electronic transport to a diffusive manner. Here, we propose a slightly modified approach additionally incorporating the contribution of hot electrons which are generated in the bulk material and undergo ballistic transport towards the emitting interface.

Synthesis and electrochemical performance of hole-rich Li4Ti5O12 anode material for lithium-ion secondary batteries

NASA Astrophysics Data System (ADS)

Zhu, Weibo; Zhuang, Zhenyuan; Yang, Yanmin; Zhang, Ruidan; Lin, Zhiya; Lin, Yingbin; Huang, Zhigao

2016-06-01

Hole-rich Li4Ti5O12 composites are synthesized by spray drying using carbon nanotubes as additives in precursor solution, subsequently followed calcinated at high temperature in air. The structure, morphology, and texture of the as-prepared composites are characterized with XRD, Raman, BET and SEM techniques. The electrochemical properties of the as-prepared composites are investigated systematically by charge/discharge testing, cyclic voltammograms and AC impedance spectroscopy, respectively. In comparison with the pristine Li4Ti5O12, the hole-rich Li4Ti5O12 induced by carbon nanotubes exhibits superior electrochemical performance, especially at high rates. The obtained excellent electrochemical performances of should be attributed to the hole-rich structure of the materials, which offers more connection-area with the electrolyte, shorter diffusion-path length as well faster migration rate for both Li ions and electrons during the charge/discharge process.

Semi-Interpenetrating Polymer Networks for Enhanced Supercapacitor Electrodes.

PubMed

Fong, Kara D; Wang, Tiesheng; Kim, Hyun-Kyung; Kumar, R Vasant; Smoukov, Stoyan K

2017-09-08

Conducting polymers show great promise as supercapacitor materials due to their high theoretical specific capacitance, low cost, toughness, and flexibility. Poor ion mobility, however, can render active material more than a few tens of nanometers from the surface inaccessible for charge storage, limiting performance. Here, we use semi-interpenetrating networks (sIPNs) of a pseudocapacitive polymer in an ionically conductive polymer matrix to decrease ion diffusion length scales and make virtually all of the active material accessible for charge storage. Our freestanding poly(3,4-ethylenedioxythiophene)/poly(ethylene oxide) (PEDOT/PEO) sIPN films yield simultaneous improvements in three crucial elements of supercapacitor performance: specific capacitance (182 F/g, a 70% increase over that of neat PEDOT), cycling stability (97.5% capacitance retention after 3000 cycles), and flexibility (the electrodes bend to a <200 μm radius of curvature without breaking). Our simple and controllable sIPN fabrication process presents a framework to develop a range of polymer-based interpenetrated materials for high-performance energy storage technologies.

Magnetospheric Multiscale Observations of Magnetic Reconnection Associated with Kelvin-Helmholtz Waves

NASA Technical Reports Server (NTRS)

Eriksson, S.; Lavraud, B.; Wilder, F. D.; Stawarz, J. E.; Giles, B. L.; Burch, J. L.; Baumjohann, W.; Ergun, R. E.; Lindqvist, P.-A.; Magnes, W.;

Prediction of an Apparent Flame Length in a Co-Axial Jet Diffusion Flame Combustor.

DTIC Science & Technology

1983-04-01

This report is comprised of two parts. In Part I a predictive model for an apparent flame length in a co-axial jet diffusion flame combustor is...Overall mass transfer coefficient, evaluated from an empirically developed correlation, is employed to predict total flame length . Comparison of the...experimental and predicted data on total flame length shows a reasonable agreement within sixteen percent over the investigated air and fuel flow rate

Accelerated ions and self-excited Alfvén waves at the Earth's bow shock

NASA Astrophysics Data System (ADS)

Berezhko, E. G.; Taneev, S. N.; Trattner, K. J.

2011-07-01

The diffuse energetic ion event and related Alfvén waves upstream of the Earth's bow shock, measured by AMPTE/IRM satellite on 29 September 1984, 06:42-07:22 UT, was studied using a self-consistent quasi-linear theory of ion diffusive shock acceleration and associated Alfvén wave generation. The wave energy density satisfies a wave kinetic equation, and the ion distribution function satisfies the diffusive transport equation. These coupled equations are solved numerically, and calculated ion and wave spectra are compared with observations. It is shown that calculated steady state ion and Alfvén wave spectra are established during the time period of about 1000 s. Alfvén waves excited by accelerated ions are confined within the frequency range (10-2 to 1) Hz, and their spectral peak with the wave amplitude δB ≈ B comparable to the interplanetary magnetic field value B corresponds to the frequency 2 × 10-2 Hz. The high-frequency part of the wave spectrum undergoes absorption by thermal protons. It is shown that the observed ion spectra and the associated Alfvén wave spectra are consistent with the theoretical prediction.

Time-of-flight secondary ion mass spectrometry studies of cluster ion analysis for semiconductors and diffusion of manganese in gallium arsenide at low temperatures

NASA Astrophysics Data System (ADS)

Goacher, Robyn Elizabeth

Secondary Ion Mass Spectrometry (SIMS) is an established method for the quantitative analysis of dopants in semiconductors. The quasi-parallel mass acquisition of Time-of-Flight SIMS, along with the development of polyatomic primary ions, have rapidly increased the use of SIMS for analysis of organic and biological specimens. However, the advantages and disadvantages of using cluster primary ions for quantitative analysis of inorganic materials are not clear. The research described in this dissertation investigates the consequences of using polyatomic primary ions for the analysis of inorganic compounds in ToF-SIMS. Furthermore, the diffusion of Mn in GaAs, which is important in Spintronic material applications such as spin injection, is also studied by quantitative ToF-SIMS depth profiling. In the first portion of this work, it was discovered that primary ion bombardment of pre-sputtered compound semiconductors GaAs and InP for the purpose of spectral analysis resulted in the formation of cluster secondary ions, as well as atomic secondary ions (Chapter 2). In particular, bombardment using a cluster primary ion such as Bi3q + or C60q+ resulted in higher yields of high-mass cluster secondary ions. These cluster secondary ions did not have bulk stoichiometry, "non-stoichiometric", in contrast to the paradigm of stoichiometric cluster ions generated from salts. This is attributed to the covalent bonding of the compound semiconductors, as well as to preferential sputtering. The utility of high-mass cluster secondary ions in depth profiling is also discussed. Relative sensitivity factors (RSFs) calculated for ion-implanted Fe and Mn samples in GaAs also exhibit differences based on whether monatomic or polyatomic primary ions are utilized (Chapter 3). These RSFs are important for the quantitative conversion of intensity to concentration. When Bi 32+ primary ions are used for analysis instead of Bi + primary ions, there is a significantly higher proportion of Mn and Fe ions present in the spectra, as referenced to the matrix species. The magnitude of this effect differs depending on the sputtering ion, Cs or C60. The use of C60cluster primary ions for depth profiling of GaAs is also investigated (Chapter 4). In particular, for quantitative depth profiling, parameters such as depth resolution, ion and sputter yields, and relative sensitivity factors are pertinent to profiling thin layered structures quantitatively and quickly. C60 sputtering is compared to Cs sputtering in all of these aspects. It is found that 10 keV C60+ is advantageous for the analysis of metals (such as Au contacts on Si) but that previously reported roughness problems prohibit successful analysis in Si. For Al delta layers and quantum wells in GaAs, C60 q+ sputtering induced very little roughness in the sample, and resulted in high ion yields and excellent signal-to-noise as compared to Cs+ sputtering. However, the depth resolution of C60 is at best equivalent to 1 keV Cs+ and does not extend into the sub 2-nm range. Furthermore, C60 sputtering results in significant carbon implantation. In the second portion of this work, quantitative ToF-SIMS depth profiling was used to evaluate the diffusion of Mn into GaAs. Samples were prepared by Molecular Beam Epitaxy in the department of Physics. Mn diffusion from MnAs was investigated first, and Mn diffusion from layered epitaxial structures of GaAs / Ga1-xMnxAs / GaAs was investigated second. Diffusion experiments were conducted by annealing portions of the samples in sealed glass ampoules at low temperatures (200-400°C). Different sputtering rates were measured for MnAs and GaAs and the measured depth profiles were corrected for these effects. RSFs measured for Mn ion-implanted standards were used to calibrate the intensity scale. For diffusion from MnAs, thin MnAs layers resulted in no measurable changes except in the surface transient. For thick MnAs layers, it was determined that substantial loss of As occurred at 400°C, resulting in severe sample roughening, which inhibited proper SIMS analysis. Results for the diffusion of Mn out of a thick buried layer of Ga1-xMnxAs show that annealing induces diffusion of Mn species from the Ga1-xMnxAs layer into the neighboring GaAs with an activation energy of 0.69+/-0.09 eV. This results in doping of the GaAs layer, which is detrimental to spin injection for Spintronics devices.

Investigation of Perforated Convergent-divergent Diffusers with Initial Boundary Layer

NASA Technical Reports Server (NTRS)

Weinstein, Maynard I

1950-01-01

An experimental investigation was made at Mach number 1.90 of the performance of a series of perforated convergent-divergent supersonic diffusers operating with initial boundary layer, which was induced and controlled by lengths of cylindrical inlets affixed to the diffusers. Supercritical mass-flow and peak total-pressure recoveries were decreased slightly by use of the longest inlets (4 inlet diameters in length). Combinations of cylindrical inlets, perforated diffusers, and subsonic diffuser were evaluated as simulated wind tunnels having second throats. Comparisons with noncontracted configurations of similar scale indicated conservatively computed power reductions of 25 percent.

Characterization and modeling of low energy ion-induced damage in III-V semiconductors

NASA Astrophysics Data System (ADS)

Chen, Ching-Hui

1997-11-01

Low energy ion-induced damage (sub-keV) created during dry etching processes can extend quite deeply into materials. A systematic study on the deep penetration of dry etch-induced damage is necessary to improve device performance and helpful in further understanding the nature of defect propagation in semiconductors. In this study, a phenomenological model of dry etching damage that includes both effects of ion channeling and defect diffusion has been developed. It underscores that in addition to ion channeling, enhanced defect diffusion also plays an important role in establishing the damage profile. Further, the enhanced diffusion of dry etch- induced damage was experimentally observed for the first time by investigating the influences of concurrent above- bandgap laser illumination and low energy Ar+ ion bombardment on the damage profiles of GaAs/AlGaAs and InP-GaAs/InP heterostructures. The results indicate that non-radiative recombination of electron and hole pairs at defect sites is responsible for the observed radiation enhanced diffusion. DLTS measurements are also employed to characterize the nature of the enhanced diffusion in n-GaAs and reveal that a major component of the ion- induced defects is associated with primary point defects. Using the better understanding of the damage propagation in dry etched materials, a thin layer of low temperature grown GaAs (~200A) was utilized to stop defect propagation during dry etching process. This approach has been successfully applied to reduce ion damage that would occur during the formation of a dry-etch gate recess of a high electron mobility transistor. Finally, some future experiments are proposed and conceptually described, which would further clarify some of the many outstanding issues in the understanding and mitigation of etch- induced damage.

Low-temperature lithium diffusion in simulated high-level boroaluminosilicate nuclear waste glasses

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

Neeway, James J.; Kerisit, Sebastien N.; Gin, Stephane

2014-12-01

Ion exchange is recognized as an integral, if underrepresented, mechanism influencing glass corrosion. However, due to the formation of various alteration layers in the presence of water, it is difficult to conclusively deconvolute the mechanisms of ion exchange from other processes occurring simultaneously during corrosion. In this work, an operationally inert non-aqueous solution was used as an alkali source material to isolate ion exchange and study the solid-state diffusion of lithium. Specifically, the experiments involved contacting glass coupons relevant to the immobilization of high-level nuclear waste, SON68 and CJ-6, which contained Li in natural isotope abundance, with a non-aqueous solutionmore » of 6LiCl dissolved in dimethyl sulfoxide at 90 °C for various time periods. The depth profiles of major elements in the glass coupons were measured using time-of-flight secondary ion mass spectrometry (ToF-SIMS). Lithium interdiffusion coefficients, D Li, were then calculated based on the measured depth profiles. The results indicate that the penetration of 6Li is rapid in both glasses with the simplified CJ-6 glass (D 6Li ≈ 4.0-8.0 × 10 -21 m 2/s) exhibiting faster exchange than the more complex SON68 glass (D Li ≈ 2.0-4.0 × 10 -21 m 2/s). Additionally, sodium ions present in the glass were observed to participate in ion exchange reactions; however, different diffusion coefficients were necessary to fit the diffusion profiles of the two alkali ions. Implications of the diffusion coefficients obtained in the absence of alteration layers to the long-term performance of nuclear waste glasses in a geological repository system are also discussed.« less

Experimental observation of self excited co-rotating multiple vortices in a dusty plasma with inhomogeneous plasma background

NASA Astrophysics Data System (ADS)

Choudhary, Mangilal; Mukherjee, S.; Bandyopadhyay, P.

2017-03-01

We report an experimental observation of multiple co-rotating vortices in an extended dust column in the background of an inhomogeneous diffused plasma. An inductively coupled rf discharge is initiated in the background of argon gas in the source region. This plasma was later found to diffuse into the main experimental chamber. A secondary DC glow discharge plasma is produced to introduce dust particles into the plasma volume. These micron-sized poly-disperse dust particles get charged in the background of the DC plasma and are transported by the ambipolar electric field of the diffused plasma. These transported particles are found to be confined in an electrostatic potential well, where the resultant electric field due to the diffused plasma (ambipolar E-field) and glass wall charging (sheath E-field) holds the micron-sized particles against the gravity. Multiple co-rotating (anti-clockwise) dust vortices are observed in the dust cloud for a particular discharge condition. The transition from multiple vortices to a single dust vortex is observed when input rf power is lowered. The occurrence of these vortices is explained on the basis of the charge gradient of dust particles, which is orthogonal to the ion drag force. The charge gradient is a consequence of the plasma inhomogeneity along the dust cloud length. The detailed nature and the reason for multiple vortices are still under investigation through further experiments; however, preliminary qualitative understanding is discussed based on the characteristic scale length of the dust vortex. There is a characteristic size of the vortex in the dusty plasma; therefore, multiple vortices could possibly be formed in an extended dusty plasma with inhomogeneous plasma background. The experimental results on the vortex motion of particles are compared with a theoretical model and are found to be in close agreement.

Method of measuring field funneling and range straggling in semiconductor charge-collecting junctions

NASA Technical Reports Server (NTRS)

Zoutendyk, John A. (Inventor); Malone, Carl J. (Inventor)

1987-01-01

Electric-field funneling length is measured while irradiating a semiconductor charge-collecting junction with electron-hole-pair generating charged particles at a first junction bias voltage. The bias voltage is then reduced to a second level in order to reduce the depth of the depletion region such that the total charge can no longer be collected by drift and measured in the energy band previously displayed in the multichannel analyzer. This is representative of the maximum electric field funnelling length which may be calculated by measuring the difference at the second bias voltage level of the depletion width and the ion penetration range. The bias voltage is further lowered to a third level at which the particles are collected over a spread of energy levels while at least some of the particles are still collected at the selected energy level. From this the different depths of penetration of the particles are determined while additional effects due to diffusion are minimized.

Method of measuring field funneling and range straggling in semiconductor charge-collecting junctions

NASA Technical Reports Server (NTRS)

Zoutendyk, J. A. (Inventor)

1985-01-01

Electric-field funneling length is measured while irradiating a semiconductor charge-collecting junction with electron-hole-pair generating charged particles at a first junction bias voltage. The bias voltage is then reduced to a second level in order to reduce the depth of the depletion region such that the total charge can no longer be collected by drift and measured in the energy band previously displayed in the multichannel analyzer. This is representative of the maximum electric field funneling length which may be calculated by measuring the difference at the second bias voltage level of the depletion width and the ion penetration range. The bias voltage is further lowered to a third level at which the particles are collected over a spread of energy levels while at least some of the particles are still collected at the selected energy level. From this the different depths of penetration of the particles are determined while additional effects due to diffusion are minimized.

The effect of varying linker length on ion-transport properties in polymeric ionic liquids

NASA Astrophysics Data System (ADS)

Keith, Jordan; Mogurampelly, Santosh; Wheatle, Bill; Ganesan, Venkat

We report results of atomistic molecular dynamics simulations on polymerized 1-butyl-3-(n-alkyl)imidazolium ionic liquids with PF6- counterions. Consistent with experimental observations, we observe that the mobility of the PF6- ions increases with increasing n-alkyl linker length. Analysis of our results suggests that the motion of PF6- ions is driven by intermolecular ion hopping between chains, which in turn is influenced by ion-pair coordination numbers and intermolecular ionic separation distances. With increasing linker length, we observe 1) the anions coordinating less closely with cations and 2) intermolecular hopping distances decreasing.

Length of intact plasma membrane determines the diffusion properties of cellular water.

PubMed

Eida, Sato; Van Cauteren, Marc; Hotokezaka, Yuka; Katayama, Ikuo; Sasaki, Miho; Obara, Makoto; Okuaki, Tomoyuki; Sumi, Misa; Nakamura, Takashi

2016-01-11

Molecular diffusion in a boundary-free medium depends only on the molecular size, the temperature, and medium viscosity. However, the critical determinant of the molecular diffusion property in inhomogeneous biological tissues has not been identified. Here, using an in vitro system and a high-resolution MR imaging technique, we show that the length of the intact plasma membrane is a major determinant of water diffusion in a controlled cellular environment and that the cell perimeter length (CPL) is sufficient to estimate the apparent diffusion coefficient (ADC) of water in any cellular environment in our experimental system (ADC = -0.21 × CPL + 1.10). We used this finding to further explain the different diffusion kinetics of cells that are dying via apoptotic or non-apoptotic cell death pathways exhibiting characteristic changes in size, nuclear and cytoplasmic architectures, and membrane integrity. These results suggest that the ADC value can be used as a potential biomarker for cell death.

Length of intact plasma membrane determines the diffusion properties of cellular water

PubMed Central

Eida, Sato; Van Cauteren, Marc; Hotokezaka, Yuka; Katayama, Ikuo; Sasaki, Miho; Obara, Makoto; Okuaki, Tomoyuki; Sumi, Misa; Nakamura, Takashi

2016-01-01

Molecular diffusion in a boundary-free medium depends only on the molecular size, the temperature, and medium viscosity. However, the critical determinant of the molecular diffusion property in inhomogeneous biological tissues has not been identified. Here, using an in vitro system and a high-resolution MR imaging technique, we show that the length of the intact plasma membrane is a major determinant of water diffusion in a controlled cellular environment and that the cell perimeter length (CPL) is sufficient to estimate the apparent diffusion coefficient (ADC) of water in any cellular environment in our experimental system (ADC = −0.21 × CPL + 1.10). We used this finding to further explain the different diffusion kinetics of cells that are dying via apoptotic or non-apoptotic cell death pathways exhibiting characteristic changes in size, nuclear and cytoplasmic architectures, and membrane integrity. These results suggest that the ADC value can be used as a potential biomarker for cell death. PMID:26750342

Relevance of quantum mechanics on some aspects of ion channel function

PubMed Central

Roy, Sisir

2010-01-01

Mathematical modeling of ionic diffusion along K ion channels indicates that such diffusion is oscillatory, at the weak non-Markovian limit. This finding leads us to derive a Schrödinger–Langevin equation for this kind of system within the framework of stochastic quantization. The Planck’s constant is shown to be relevant to the Lagrangian action at the level of a single ion channel. This sheds new light on the issue of applicability of quantum formalism to ion channel dynamics and to the physical constraints of the selectivity filter. PMID:19520314

On the enhancement of Er{sup 3+} diffusion in LiNbO{sub 3} crystals by Er{sup 3+}/Ti{sup 4+} co-diffusion

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

Almeida, José Manuel Marques Martins de, E-mail: jmmma@utad.pt; Department of Physics, School of Science and Technology, University of Trás-os-Montes e Alto Douro, PO. Box 1013, 5001-801 Vila Real; Sada, Cinzia

2016-02-15

Highlights: • Enhancement of the diffusion of erbium ions (Er{sup 3+}) in lithium niobate crystals. • Incoherence on published results lead to need for systematic revision of literature. • Further insight into the topic of co-diffusion of Er{sup 3+}/Ti{sup 4+} ions into LiNbO{sub 3}. - Abstract: After carrying out a revision of the literature on the enhancement of Er{sup 3+} diffusion in LiNbO{sub 3} crystals by Er{sup 3+}/Ti{sup 4+} co-diffusion and analyzing our own experimental results, we conclude that no reproducible results were reported, meaning that further research on this subject is necessary.

Gallium ion-assisted room temperature synthesis of small-diameter ZnO nanorods.

PubMed

Cho, Seungho; Kim, Semi; Lee, Kun-Hong

2011-09-15

We report a method for synthesizing small-diameter ZnO nanorods at room temperature (20 °C), under normal atmospheric pressure (1 atm), and using a relatively short reaction time (1 h) by adding gallium salts to the reaction solution. The ZnO nanorods were, on average, 92 nm in length and 9 nm in diameter and were single crystalline in nature. Quantitative analyses revealed that gallium atoms were not incorporated into the synthesized nanocrystals. On the basis of the experimental results, we propose a mechanism for the formation of small-diameter ZnO nanorods in the presence of gallium ions. The optical properties were probed by UV-Vis diffuse reflectance spectroscopy. The absorption band of the small-diameter ZnO nanorods was blue-shifted relative to the absorption band of the ~230 nm diameter ZnO nanorods (control samples). Control experiments demonstrated that the absence of metal ion-containing precipitants (except ZnO) at room temperature is essential, and that the ZnO nanorod diameter distributions were narrow for the stirred reaction solution and broad when prepared without stirring. Copyright © 2011 Elsevier Inc. All rights reserved.

Damage and recovery characteristics of lithium-containing solar cells.

NASA Technical Reports Server (NTRS)

Faith, T. J.

1971-01-01

Damage and recovery characteristics were measured on lithium-containing solar cells irradiated by 1-MeV electrons. Empirical expressions for cell recovery time, diffusion-length damage coefficient immediately after irradiation, and diffusion-length damage coefficient after recovery were derived using results of short-circuit current, diffusion-length, and reverse-bias capacitance measurements. The damage coefficients were expressed in terms of a single lithium density parameter, the lithium gradient. A fluence dependence was also established, this dependence being the same for both the immediate-post-irradiation and post-recovery cases. Cell recovery rates were found to increase linearly with lithium gradient.

Diffusion length of non-equilibrium minority charge carriers in β-Ga2O3 measured by electron beam induced current

NASA Astrophysics Data System (ADS)

Yakimov, E. B.; Polyakov, A. Y.; Smirnov, N. B.; Shchemerov, I. V.; Yang, Jiancheng; Ren, F.; Yang, Gwangseok; Kim, Jihyun; Pearton, S. J.

2018-05-01

The spatial distribution of electron-hole pair generation in β-Ga2O3 as a function of scanning electron microscope (SEM) beam energy has been calculated by a Monte Carlo method. This spatial distribution is then used to obtain the diffusion length of charge carriers in high-quality epitaxial Ga2O3 films from the dependence of the electron beam induced current (EBIC) collection efficiency on the accelerating voltage of a SEM. The experimental results show, contrary to earlier theory, that holes are mobile in β-Ga2O3 and to a large extent determine the diffusion length of charge carriers. Diffusion lengths in the range 350-400 nm are determined for the as-grown Ga2O3, while processes like exposing the samples to proton irradiation essentially halve this value, showing the role of point defects in controlling minority carrier transport. The pitfalls related to using other popular EBIC-based methods assuming a point-like excitation function are demonstrated. Since the point defect type and the concentration in currently available Ga2O3 are dependent on the growth method and the doping concentration, accurate methods of diffusion length determination are critical to obtain quantitative comparisons of material quality.

Diffusion induced atomic islands on the surface of Ni/Cu nanolayers

NASA Astrophysics Data System (ADS)

Takáts, Viktor; Csik, Attila; Hakl, József; Vad, Kálmán

2018-05-01

Surface islands formed by grain-boundary diffusion has been studied in Ni/Cu nanolayers by in-situ low energy ion scattering spectroscopy, X-ray photoelectron spectroscopy, scanning probe microscopy and ex-situ depth profiling based on ion sputtering. In this paper a new experimental approach of measurement of grain-boundary diffusion coefficients is presented. Appearing time of copper atoms diffused through a few nanometer thick nickel layer has been detected by low energy ion scattering spectroscopy with high sensitivity. The grain-boundary diffusion coefficient can be directly calculated from this appearing time without using segregation factors in calculations. The temperature range of 423-463 K insures the pure C-type diffusion kinetic regime. The most important result is that surface coverage of Ni layer by Cu atoms reaches a maximum during annealing and stays constant if the annealing procedure is continued. Scanning probe microscopy measurements show a Volmer-Weber type layer growth of Cu layer on the Ni surface in the form of Cu atomic islands. Depth distribution of Cu in Ni layer has been determined by depth profile analysis.

Ag out-surface diffusion in crystalline SiC with an effective SiO 2 diffusion barrier

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

Xue, H.; Xiao, H. Y.; Zhu, Z.

2015-05-07

For applications of tristructural isotropic (TRISO) fuel particles in high temperature reactors, release of radioactive Ag isotope ( 110mAg) through the SiC coating layer is a safety concern. In order to understand the diffusion mechanism, Ag ion implantations near the surface and in the bulk were performed by utilizing different ion energies and energy-degrader foils. High temperature annealing was carried out on the as-irradiated samples to study the possible out-surface diffusion. Before and after annealing, Rutherford backscattering spectrometry (RBS) and secondary ion mass spectrometry (SIMS) measurements were employed to obtain the elemental profiles of the implanted samples. Our results suggestmore » little migration of buried Ag in the bulk, and an out-diffusion of the implanted Ag in the near-surface region of single crystal SiC. It is also found that a SiO 2 layer, which was formed during annealing, may serve as an effective barrier to reduce or prevent Ag out diffusion through the SiC coating layer.« less

Ag Out-surface Diffusion In Crystalline SiC With An Effective SiO2 Diffusion Barrier

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

Xue, H.; Xiao, Haiyan Y.; Zhu, Zihua

2015-09-01

For applications of tristructural isotropic (TRISO) fuel particles in high temperature reactors, release of radioactive Ag isotope (110mAg) through the SiC coating layer is a safety concern. To understand the diffusion mechanism, Ag ion implantations near the surface and in the bulk were performed by utilizing different ion energies and energy-degrader foils. High temperature annealing was carried out on the as-irradiated samples to study the possible out-surface diffusion. Before and after annealing, Rutherford backscattering spectrometry (RBS) and secondary ion mass spectrometry (SIMS) measurements were employed to obtain the elemental profiles of the implanted samples. The results suggest little migration ofmore » buried Ag in the bulk, and an out-diffusion of the implanted Ag in the near-surface region of single crystal SiC. It is also found that a SiO2 layer, which was formed during annealing, may serve as an effective barrier to reduce or prevent Ag out diffusion through the SiC coating layer.« less

Spin-dependent quantum transport in nanoscaled geometries

NASA Astrophysics Data System (ADS)

Heremans, Jean J.

2011-10-01

We discuss experiments where the spin degree of freedom leads to quantum interference phenomena in the solid-state. Under spin-orbit interactions (SOI), spin rotation modifies weak-localization to weak anti-localization (WAL). WAL's sensitivity to spin- and phase coherence leads to its use in determining the spin coherence lengths Ls in materials, of importance moreover in spintronics. Using WAL we measure the dependence of Ls on the wire width w in narrow nanolithographic ballistic InSb wires, ballistic InAs wires, and diffusive Bi wires with surface states with Rashba-like SOI. In all three systems we find that Ls increases with decreasing w. While theory predicts the increase for diffusive wires with linear (Rashba) SOI, we experimentally conclude that the increase in Ls under dimensional confinement may be more universal, with consequences for various applications. Further, in mesoscopic ring geometries on an InAs/AlGaSb 2D electron system (2DES) we observe both Aharonov-Bohm oscillations due to spatial quantum interference, and Altshuler-Aronov-Spivak oscillations due to time-reversed paths. A transport formalism describing quantum coherent networks including ballistic transport and SOI allows a comparison of spin- and phase coherence lengths extracted for such spatial- and temporal-loop quantum interference phenomena. We further applied WAL to study the magnetic interactions between a 2DES at the surface of InAs and local magnetic moments on the surface from rare earth (RE) ions (Gd3+, Ho3+, and Sm3+). The magnetic spin-flip rate carries information about magnetic interactions. Results indicate that the heavy RE ions increase the SOI scattering rate and the spin-flip rate, the latter indicating magnetic interactions. Moreover Ho3+ on InAs yields a spin-flip rate with an unusual power 1/2 temperature dependence, possibly characteristic of a Kondo system. We acknowledge funding from DOE (DE-FG02-08ER46532).

Creating unstable velocity-space distributions with barium injections

NASA Technical Reports Server (NTRS)

Pongratz, M. B.

1983-01-01

Ion velocity-space distributions resulting from barium injections from orbiting spacecraft and shaped charges are discussed. Active experiments confirm that anomalous ionization processes may operate, but photoionization accounts for the production of the bulk of the barium ions. Pitch-angle diffusion and/or velocity-space diffusion may occur, but observations of barium ions moving upwards against gravity suggests that the ions retain a significant enough fraction of their initial perpendicular velocity to provide a mirror force. The barium ion plasmas should have a range of Alfven Mach numbers and plasma betas. Because the initial conditions can be predicted these active experiments should permit testing plasma instability hypotheses.

Evolution of Edge Pedestal Profiles Between ELMs

NASA Astrophysics Data System (ADS)

Floyd, J. P.; Stacey, W. M.; Groebner, R. J.

2012-10-01

The measured edge profile evolution in DIII-D discharges is analyzed in terms of the implied thermal diffusivities, ion diffusion coefficients and pinch velocities, using the momentum-balance methodology of Ref. [1], extended to take into account ion orbit loss and X-point loss. The evolution of the density, temperature, rotation and radial electric field profiles in the edge pedestal between edge localized modes (ELMs) provides information of these diffusive and non-diffusive transport processes in the pedestal of H-mode plasmas. This methodology is incorporated in the GTEDGE code developed for DIII-D data interpretation. Using a smaller integration time for the charge exchange recombination measurements than in Ref. [1] allows a more detailed examination of the time evolution of the ion temperature and rotation profiles. 6pt [1] W.M. Stacey and R.J. Groebner, Nucl. Fusion 51, 063024 (2011).

The narrow pulse approximation and long length scale determination in xenon gas diffusion NMR studies of model porous media

NASA Technical Reports Server (NTRS)

Mair, R. W.; Sen, P. N.; Hurlimann, M. D.; Patz, S.; Cory, D. G.; Walsworth, R. L.

2002-01-01

We report a systematic study of xenon gas diffusion NMR in simple model porous media, random packs of mono-sized glass beads, and focus on three specific areas peculiar to gas-phase diffusion. These topics are: (i) diffusion of spins on the order of the pore dimensions during the application of the diffusion encoding gradient pulses in a PGSE experiment (breakdown of the narrow pulse approximation and imperfect background gradient cancellation), (ii) the ability to derive long length scale structural information, and (iii) effects of finite sample size. We find that the time-dependent diffusion coefficient, D(t), of the imbibed xenon gas at short diffusion times in small beads is significantly affected by the gas pressure. In particular, as expected, we find smaller deviations between measured D(t) and theoretical predictions as the gas pressure is increased, resulting from reduced diffusion during the application of the gradient pulse. The deviations are then completely removed when water D(t) is observed in the same samples. The use of gas also allows us to probe D(t) over a wide range of length scales and observe the long time asymptotic limit which is proportional to the inverse tortuosity of the sample, as well as the diffusion distance where this limit takes effect (approximately 1-1.5 bead diameters). The Pade approximation can be used as a reference for expected xenon D(t) data between the short and the long time limits, allowing us to explore deviations from the expected behavior at intermediate times as a result of finite sample size effects. Finally, the application of the Pade interpolation between the long and the short time asymptotic limits yields a fitted length scale (the Pade length), which is found to be approximately 0.13b for all bead packs, where b is the bead diameter. c. 2002 Elsevier Sciences (USA).

The narrow pulse approximation and long length scale determination in xenon gas diffusion NMR studies of model porous media.

PubMed

Mair, R W; Sen, P N; Hürlimann, M D; Patz, S; Cory, D G; Walsworth, R L

2002-06-01

We report a systematic study of xenon gas diffusion NMR in simple model porous media, random packs of mono-sized glass beads, and focus on three specific areas peculiar to gas-phase diffusion. These topics are: (i) diffusion of spins on the order of the pore dimensions during the application of the diffusion encoding gradient pulses in a PGSE experiment (breakdown of the narrow pulse approximation and imperfect background gradient cancellation), (ii) the ability to derive long length scale structural information, and (iii) effects of finite sample size. We find that the time-dependent diffusion coefficient, D(t), of the imbibed xenon gas at short diffusion times in small beads is significantly affected by the gas pressure. In particular, as expected, we find smaller deviations between measured D(t) and theoretical predictions as the gas pressure is increased, resulting from reduced diffusion during the application of the gradient pulse. The deviations are then completely removed when water D(t) is observed in the same samples. The use of gas also allows us to probe D(t) over a wide range of length scales and observe the long time asymptotic limit which is proportional to the inverse tortuosity of the sample, as well as the diffusion distance where this limit takes effect (approximately 1-1.5 bead diameters). The Padé approximation can be used as a reference for expected xenon D(t) data between the short and the long time limits, allowing us to explore deviations from the expected behavior at intermediate times as a result of finite sample size effects. Finally, the application of the Padé interpolation between the long and the short time asymptotic limits yields a fitted length scale (the Padé length), which is found to be approximately 0.13b for all bead packs, where b is the bead diameter. c. 2002 Elsevier Sciences (USA).

A nonlocal species concentration theory for diffusion and phase changes in electrode particles of lithium ion batteries

NASA Astrophysics Data System (ADS)

Zhang, Tao; Kamlah, Marc

2018-01-01

A nonlocal species concentration theory for diffusion and phase changes is introduced from a nonlocal free energy density. It can be applied, say, to electrode materials of lithium ion batteries. This theory incorporates two second-order partial differential equations involving second-order spatial derivatives of species concentration and an additional variable called nonlocal species concentration. Nonlocal species concentration theory can be interpreted as an extension of the Cahn-Hilliard theory. In principle, nonlocal effects beyond an infinitesimal neighborhood are taken into account. In this theory, the nonlocal free energy density is split into the penalty energy density and the variance energy density. The thickness of the interface between two phases in phase segregated states of a material is controlled by a normalized penalty energy coefficient and a characteristic interface length scale. We implemented the theory in COMSOL Multiphysics^{circledR } for a spherically symmetric boundary value problem of lithium insertion into a Li_xMn_2O_4 cathode material particle of a lithium ion battery. The two above-mentioned material parameters controlling the interface are determined for Li_xMn_2O_4 , and the interface evolution is studied. Comparison to the Cahn-Hilliard theory shows that nonlocal species concentration theory is superior when simulating problems where the dimensions of the microstructure such as phase boundaries are of the same order of magnitude as the problem size. This is typically the case in nanosized particles of phase-separating electrode materials. For example, the nonlocality of nonlocal species concentration theory turns out to make the interface of the local concentration field thinner than in Cahn-Hilliard theory.

Diffusion Region's Structure at the Subsolar Magnetopause with MMS Data

NASA Astrophysics Data System (ADS)

Cozzani, G.; Retino, A.; Califano, F.; Alexandrova, A.; Catapano, F.; Fu, H.; Le Contel, O.; Khotyaintsev, Y. V.; Vaivads, A.; Ahmadi, N.; Lindqvist, P. A.; Breuillard, H.; Mirioni, L.; Ergun, R.; Torbert, R. B.; Giles, B. L.; Russell, C. T.; Nakamura, R.; Moore, T. E.; Fuselier, S. A.; Mauk, B.; Burch, J.

2017-12-01

Magnetic reconnection occurs in the magnetosphere in thin current sheets, where a change in the magneticfield topology leads to rapid conversion of magnetic energy into ion and electron energy. To allow for magneticfield reconfiguration, both ions and electrons have to become demagnetized in the ion and electron diffusionregions, respectively. MMS spacecraft observations at inter-spacecraft separation ˜ 10 km (correspondingto ˜ 5 d_e at the magnetopause) allow, for the first time, to make multi-point studies of the structure of theelectron diffusion region (EDR). We present MMS observations on January,27th 2017 of one magnetopausecrossing close to the subsolar point showing several signatures consistent with an EDR encounter nearbya magnetic field minimum. The proximity to the reconnection site is further substantiated by the FirstOrder Taylor Expansion (FOTE) method applied to the magnetic field data. Observations suggest that allspacecraft passed through the EDR. Despite of the small inter-spacecraft separation (7 km), the observationsshow important differences among spacecraft. We focus on the comparison between MMS3 and MMS4 sincethey show the most striking differences. MMS3 measures a stronger parallel electron heating and highercurrent densities than MMS4. Both satellites observe crescent-shaped electron distribution functions on themagnetospheric side but MMS4 observes them over a longer time interval. These observations suggest thatMMS3 is passing closer to the reconnection site than MMS4. The differences between the observations by thetwo spacecraft indicate that the EDR is rather structured over scales of a few electron inertial lengths. Wealso evaluate the Generalized Ohm's law and find that the electric field is mainly balanced by the divergenceof the electron pressure tensor while the electron inertia term is negligible.

Hall-Effect Thruster Simulations with 2-D Electron Transport and Hydrodynamic Ions

NASA Technical Reports Server (NTRS)

Mikellides, Ioannis G.; Katz, Ira; Hofer, Richard H.; Goebel, Dan M.

2009-01-01

A computational approach that has been used extensively in the last two decades for Hall thruster simulations is to solve a diffusion equation and energy conservation law for the electrons in a direction that is perpendicular to the magnetic field, and use discrete-particle methods for the heavy species. This "hybrid" approach has allowed for the capture of bulk plasma phenomena inside these thrusters within reasonable computational times. Regions of the thruster with complex magnetic field arrangements (such as those near eroded walls and magnets) and/or reduced Hall parameter (such as those near the anode and the cathode plume) challenge the validity of the quasi-one-dimensional assumption for the electrons. This paper reports on the development of a computer code that solves numerically the 2-D axisymmetric vector form of Ohm's law, with no assumptions regarding the rate of electron transport in the parallel and perpendicular directions. The numerical challenges related to the large disparity of the transport coefficients in the two directions are met by solving the equations in a computational mesh that is aligned with the magnetic field. The fully-2D approach allows for a large physical domain that extends more than five times the thruster channel length in the axial direction, and encompasses the cathode boundary. Ions are treated as an isothermal, cold (relative to the electrons) fluid, accounting for charge-exchange and multiple-ionization collisions in the momentum equations. A first series of simulations of two Hall thrusters, namely the BPT-4000 and a 6-kW laboratory thruster, quantifies the significance of ion diffusion in the anode region and the importance of the extended physical domain on studies related to the impact of the transport coefficients on the electron flow field.

Mean bond-length variations in crystals for ions bonded to oxygen

PubMed Central

2017-01-01

Variations in mean bond length are examined in oxide and oxysalt crystals for 55 cation configurations bonded to O2−. Stepwise multiple regression analysis shows that mean bond length is correlated to bond-length distortion in 42 ion configurations at the 95% confidence level, with a mean coefficient of determination (〈R 2〉) of 0.35. Previously published correlations between mean bond length and mean coordination number of the bonded anions are found not to be of general applicability to inorganic oxide and oxysalt structures. For two of 11 ions tested for the 95% confidence level, mean bond lengths predicted using a fixed radius for O2− are significantly more accurate as those predicted using an O2− radius dependent on coordination number, and are statistically identical otherwise. As a result, the currently accepted ionic radii for O2− in different coordinations are not justified by experimental data. Previously reported correlation between mean bond length and the mean electronegativity of the cations bonded to the oxygen atoms of the coordination polyhedron is shown to be statistically insignificant; similar results are obtained with regard to ionization energy. It is shown that a priori bond lengths calculated for many ion configurations in a single structure-type leads to a high correlation between a priori and observed mean bond lengths, but a priori bond lengths calculated for a single ion configuration in many different structure-types leads to negligible correlation between a priori and observed mean bond lengths. This indicates that structure type has a major effect on mean bond length, the magnitude of which goes beyond that of the other variables analyzed here.

Benchmarking of the Oxford Nanopore MinION sequencing for quantitative and qualitative assessment of cDNA populations.

PubMed

Oikonomopoulos, Spyros; Wang, Yu Chang; Djambazian, Haig; Badescu, Dunarel; Ragoussis, Jiannis

2016-08-24

To assess the performance of the Oxford Nanopore Technologies MinION sequencing platform, cDNAs from the External RNA Controls Consortium (ERCC) RNA Spike-In mix were sequenced. This mix mimics mammalian mRNA species and consists of 92 polyadenylated transcripts with known concentration. cDNA libraries were generated using a template switching protocol to facilitate the direct comparison between different sequencing platforms. The MinION performance was assessed for its ability to sequence the cDNAs directly with good accuracy in terms of abundance and full length. The abundance of the ERCC cDNA molecules sequenced by MinION agreed with their expected concentration. No length or GC content bias was observed. The majority of cDNAs were sequenced as full length. Additionally, a complex cDNA population derived from a human HEK-293 cell line was sequenced on an Illumina HiSeq 2500, PacBio RS II and ONT MinION platforms. We observed that there was a good agreement in the measured cDNA abundance between PacBio RS II and ONT MinION (rpearson = 0.82, isoforms with length more than 700bp) and between Illumina HiSeq 2500 and ONT MinION (rpearson = 0.75). This indicates that the ONT MinION can sequence quantitatively both long and short full length cDNA molecules.

Nanometer-scale water- and proton-diffusion heterogeneities across water channels in polymer electrolyte membranes.

PubMed

Song, Jinsuk; Han, Oc Hee; Han, Songi

2015-03-16

Nafion, the most widely used polymer for electrolyte membranes (PEMs) in fuel cells, consists of a fluorocarbon backbone and acidic groups that, upon hydration, swell to form percolated channels through which water and ions diffuse. Although the effects of the channel structures and the acidic groups on water/ion transport have been studied before, the surface chemistry or the spatially heterogeneous diffusivity across water channels has never been shown to directly influence water/ion transport. By the use of molecular spin probes that are selectively partitioned into heterogeneous regions of the PEM and Overhauser dynamic nuclear polarization relaxometry, this study reveals that both water and proton diffusivity are significantly faster near the fluorocarbon and the acidic groups lining the water channels than within the water channels. The concept that surface chemistry at the (sub)nanometer scale dictates water and proton diffusivity invokes a new design principle for PEMs. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analytical model for fast reconnection in large guide field plasma configurations

NASA Astrophysics Data System (ADS)

Simakov, A. N.; Chacón, L.; Grasso, D.; Borgogno, D.; Zocco, A.

2009-11-01

Significant progress in understanding magnetic reconnection without a guide field was made recently by deriving quantitatively accurate analytical models for reconnection in electron [1] and Hall [2] MHD. However, no such analytical model is available for reconnection with a guide field. Here, we derive such an analytical model for the large-guide-field, low-β, cold-ion fluid model [3] with electron inertia, ion viscosity μ, and resistivity η. We find that the reconnection is Sweet-Parker-like when the Sweet-Parker layer thickness δSP> (ρs^4 + de^4)^1/4, with ρs and de the sound Larmor radius and electron inertial length. However, reconnection changes character otherwise, resulting in reconnection rates Ez/Bx^2 √2 η/μ (ρs^2 + de^2)/(ρsw) with Bx the upstream magnetic field and w the diffusion region length. Unlike the zero-guide-field case, μ plays crucial role in manifesting fast reconnection rates. If it represents the perpendicular viscosity [3], √η/μ ˜&-1circ;√(me/mi)(Ti/Te) and Ez becomes dissipation independent and therefore potentially fast.[0pt] [1] L. Chac'on, A. N. Simakov, and A. Zocco, PRL 99, 235001 (2007).[0pt] [2] A. N. Simakov and L. Chac'on, PRL 101, 105003 (2008).[0pt] [3] D. Biskamp, Magnetic reconnection in plasmas, Cambridge University Press, 2000.

Spectral distribution of UV range diffuse reflectivity for Si+ ion implanted polymers

NASA Astrophysics Data System (ADS)

Balabanov, S.; Tsvetkova, T.; Borisova, E.; Avramov, L.; Bischoff, L.

2008-05-01

The analysis of the UV range spectral characteristics can supply additional information on the formed sub-surface buried layer with implanted dopants. The near-surface layer (50÷150 nm) of bulk polymer samples have been implanted with silicon (Si+) ions at low energies (E = 30 keV) and a wide range of ion doses (D = 1.1013 ÷ 1, 2.1017 cm-2). The studied polymer materials were: ultra-high-molecular-weight polyethylene (UHMWPE), poly-methyl-metacrylate (PMMA) and poly-tetra-fluor-ethylene (PTFE). The diffuse optical reflectivity spectra Rd = f(λ) of the ion implanted samples have been measured in the UV range (λ = 220÷350 nm). In this paper the dose dependences of the size and sign of the diffuse optical reflectivity changes λRd = f(D) have been analysed.

The snakelike chain character of unstructured RNA.

PubMed

Jacobson, David R; McIntosh, Dustin B; Saleh, Omar A

2013-12-03

In the absence of base-pairing and tertiary structure, ribonucleic acid (RNA) assumes a random-walk conformation, modulated by the electrostatic self-repulsion of the charged, flexible backbone. This behavior is often modeled as a Kratky-Porod "wormlike chain" (WLC) with a Barrat-Joanny scale-dependent persistence length. In this study we report measurements of the end-to-end extension of poly(U) RNA under 0.1 to 10 pN applied force and observe two distinct elastic-response regimes: a low-force, power-law regime characteristic of a chain of swollen blobs on long length scales and a high-force, salt-valence-dependent regime consistent with ion-stabilized crumpling on short length scales. This short-scale structure is additionally supported by force- and salt-dependent quantification of the RNA ion atmosphere composition, which shows that ions are liberated under stretching; the number of ions liberated increases with increasing bulk salt concentration. Both this result and the observation of two elastic-response regimes directly contradict the WLC model, which predicts a single elastic regime across all forces and, when accounting for scale-dependent persistence length, the opposite trend in ion release with salt concentration. We conclude that RNA is better described as a "snakelike chain," characterized by smooth bending on long length scales and ion-stabilized crumpling on short length scales. In monovalent salt, these two regimes are separated by a characteristic length that scales with the Debye screening length, highlighting the determining importance of electrostatics in RNA conformation. Copyright © 2013 Biophysical Society. Published by Elsevier Inc. All rights reserved.

The Magnetospheric Multiscale Mission: New Data on Magnetic Reconnection

NASA Astrophysics Data System (ADS)

Burch, James

2015-11-01

The Magnetospheric Multiscale (MMS) mission was launched on March 12, 2015 into its Phase 1 elliptical orbit with apogee at 12 Earth radii (RE) . The baseline science goal for MMS is to Understand the microphysics of magnetic reconnection by determining the kinetic processes occurring in the electron diffusion region that are responsible for collisionless magnetic reconnection, especially how reconnection is initiated.In priority order, MMS will address three specific objectives: (1) Determine the role played by electron inertial effects and turbulent dissipation in driving magnetic reconnection in the electron diffusion region; (2) Determine the rate of magnetic reconnection and the parameters that control it. (3) Determine the role played by ion inertial effects in the physics of magnetic reconnection. During the six months of commissioning following launch, all of the instruments on the four spacecraft were made fully operational. Beginning on September 1, 2015 the spacecraft began their first scan of the dayside magnetopause in a tetrahedral formation with separations of 160 km. During Phase 1 the separation will be reduced in steps to 10 km and then adjusted to the separation that is judged to be optimum for reconnection studies. A second scan of the dayside magnetopause will be conducted at this optimum separation. Then apogee will be raised to 25 RE for a scan of the magnetotail with separations variable from 30 km to 400 km. Throughout the mission the payload will be operated at its maximum data rate, which is sufficient to investigate reconnection down to approximately the electron diffusion length scale with full 3D plasma electron distributions obtained in 30 ms, ion distributions at 150 ms, and magnetic and electric fields at 1 ms resolution. 3D plasma and energetic ion composition an energetic electron measurements along with plasma waves will also be made. The spacecraft potential is maintained below +4V by an ion emitter. Because of the large amount of data and the downlink limitations, only a few per cent of data at the highest rates can be sent to the ground. An on-board data selection system, supplemented by a Scientist-in-the Loop (SITL) system will be used to obtain the best segments of high-rate data for reconnection studies. Results from the first three months of Phase 1 will be presented in this paper.

Fast diffusion of native defects and impurities in perovskite solar cell material CH 3NH 3PbI 3

DOE PAGES

Yang, Dongwen; Ming, Wenmei; Shi, Hongliang; ...

2016-06-01

CH 3NH 3PbI 3-based solar cells have shown remarkable progress in recent years but have also suffered from structural, electrical, and chemical instabilities related to the soft lattices and the chemistry of these halides. One of the instabilities is ion migration, which may cause current–voltage hysteresis in CH 3NH 3PbI 3 solar cells. Significant ion diffusion and ionic conductivity in CH 3NH 3PbI 3 have been reported; their nature, however, remain controversial. In the literature, the use of different experimental techniques leads to the observation of different diffusing ions (either iodine or CH 3NH 3 ion); the calculated diffusion barriersmore » for native defects scatter in a wide range; the calculated defect formation energies also differ qualitatively. These controversies hinder the understanding and the control of the ion migration in CH 3NH 3PbI 3. In this paper, we show density functional theory calculations of both the diffusion barriers and the formation energies for native defects (V I +, MA i +, V MA –, and I i –) and the Au impurity in CH 3NH 3PbI 3. V I + is found to be the dominant diffusing defect due to its low formation energy and the low diffusion barrier. I i – and MA i + also have low diffusion barriers but their formation energies are relatively high. The hopping rate of V I + is further calculated taking into account the contribution of the vibrational entropy, confirming V I + as a fast diffuser. We discuss approaches for managing defect population and migration and suggest that chemically modifying surfaces, interfaces, and grain boundaries may be effective in controlling the population of the iodine vacancy and the device polarization. We further show that the formation energy and the diffusion barrier of Au interstitial in CH 3NH 3PbI 3 are both low. As a result, it is thus possible that Au can diffuse into CH3NH3PbI3 under bias in devices (e.g., solar cell, photodetector) with Au/CH 3NH 3PbI 3 interfaces and modify the electronic properties of CH 3NH 3PbI 3.« less

Fast diffusion of native defects and impurities in perovskite solar cell material CH 3NH 3PbI 3

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

Yang, Dongwen; Ming, Wenmei; Shi, Hongliang

CH 3NH 3PbI 3-based solar cells have shown remarkable progress in recent years but have also suffered from structural, electrical, and chemical instabilities related to the soft lattices and the chemistry of these halides. One of the instabilities is ion migration, which may cause current–voltage hysteresis in CH 3NH 3PbI 3 solar cells. Significant ion diffusion and ionic conductivity in CH 3NH 3PbI 3 have been reported; their nature, however, remain controversial. In the literature, the use of different experimental techniques leads to the observation of different diffusing ions (either iodine or CH 3NH 3 ion); the calculated diffusion barriersmore » for native defects scatter in a wide range; the calculated defect formation energies also differ qualitatively. These controversies hinder the understanding and the control of the ion migration in CH 3NH 3PbI 3. In this paper, we show density functional theory calculations of both the diffusion barriers and the formation energies for native defects (V I +, MA i +, V MA –, and I i –) and the Au impurity in CH 3NH 3PbI 3. V I + is found to be the dominant diffusing defect due to its low formation energy and the low diffusion barrier. I i – and MA i + also have low diffusion barriers but their formation energies are relatively high. The hopping rate of V I + is further calculated taking into account the contribution of the vibrational entropy, confirming V I + as a fast diffuser. We discuss approaches for managing defect population and migration and suggest that chemically modifying surfaces, interfaces, and grain boundaries may be effective in controlling the population of the iodine vacancy and the device polarization. We further show that the formation energy and the diffusion barrier of Au interstitial in CH 3NH 3PbI 3 are both low. As a result, it is thus possible that Au can diffuse into CH3NH3PbI3 under bias in devices (e.g., solar cell, photodetector) with Au/CH 3NH 3PbI 3 interfaces and modify the electronic properties of CH 3NH 3PbI 3.« less

Association and Diffusion of Li(+) in Carboxymethylcellulose Solutions for Environmentally Friendly Li-ion Batteries.

PubMed

Casalegno, Mosè; Castiglione, Franca; Passarello, Marco; Mele, Andrea; Passerini, Stefano; Raos, Guido

2016-07-21

Carboxymethylcellulose (CMC) has been proposed as a polymeric binder for electrodes in environmentally friendly Li-ion batteries. Its physical properties and interaction with Li(+) ions in water are interesting not only from the point of view of electrode preparation-processability in water is one of the main reasons for its environmental friendliness-but also for its possible application in aqueous Li-ion batteries. We combine molecular dynamics simulations and variable-time pulsed field gradient spin-echo (PFGSE) NMR spectroscopy to investigate Li(+) transport in CMC-based solutions. Both the simulations and experimental results show that, at concentrations at which Li-CMC has a gel-like consistency, the Li(+) diffusion coefficient is still very close to that in water. These Li(+) ions interact preferentially with the carboxylate groups of CMC, giving rise to a rich variety of coordination patterns. However, the diffusion of Li(+) in these systems is essentially unrestricted, with a fast, nanosecond-scale exchange of the ions between CMC and the aqueous environment. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mapping Ion and Electron Remagnetization Distance in the Reconnection Outflow Exhaust Region with MMS

NASA Astrophysics Data System (ADS)

Sturner, A. P.; Eriksson, S.; Gershman, D. J.; Plaschke, F.; Burch, J.

2017-12-01

Magnetopause current sheets have been fertile ground for understanding kinetic-scale physics of magnetic reconnection, but can also be used to study more macroscopic scale phenomena statistically. Post-reconnection, magnetic flux and plasma are accelerated away from the x-line into exhaust regions. As the exhausting plasma exits the electron diffusion region, electrons become remagnetized and are accelerated by the magnetic field into an E x B jet while the ions remain unmagnetized. Further along the exhaust, at the edge of the ion diffusion region, the ions become frozen into the magnetic field, and are accelerated to join the electrons in the exhaust jet. By assuming a constant reconnection rate of 0.1, we can infer the distance to the x-line from the normal width of the exhaust. We present a statistical study using the Magnetospheric Multiscale Mission (MMS) to map out the electron and ion remagnetization distances that define the edge of the electron and ion diffusion regions for magnetopause reconnection, and explore the effects of a guide magnetic field.

Unraveling the mechanism of selective ion transport in hydrophobic subnanometer channels.

PubMed

Li, Hui; Francisco, Joseph S; Zeng, Xiao Cheng

2015-09-01

Recently reported synthetic organic nanopore (SONP) can mimic a key feature of natural ion channels, i.e., selective ion transport. However, the physical mechanism underlying the K(+)/Na(+) selectivity for the SONPs is dramatically different from that of natural ion channels. To achieve a better understanding of the selective ion transport in hydrophobic subnanometer channels in general and SONPs in particular, we perform a series of ab initio molecular dynamics simulations to investigate the diffusivity of aqua Na(+) and K(+) ions in two prototype hydrophobic nanochannels: (i) an SONP with radius of 3.2 Å, and (ii) single-walled carbon nanotubes (CNTs) with radii of 3-5 Å (these radii are comparable to those of the biological potassium K(+) channels). We find that the hydration shell of aqua Na(+) ion is smaller than that of aqua K(+) ion but notably more structured and less yielding. The aqua ions do not lower the diffusivity of water molecules in CNTs, but in SONP the diffusivity of aqua ions (Na(+) in particular) is strongly suppressed due to the rugged inner surface. Moreover, the aqua Na(+) ion requires higher formation energy than aqua K(+) ion in the hydrophobic nanochannels. As such, we find that the ion (K(+) vs. Na(+)) selectivity of the (8, 8) CNT is ∼20× higher than that of SONP. Hence, the (8, 8) CNT is likely the most efficient artificial K(+) channel due in part to its special interior environment in which Na(+) can be fully solvated, whereas K(+) cannot. This work provides deeper insights into the physical chemistry behind selective ion transport in nanochannels.

FDM study of ion exchange diffusion equation in glass

NASA Astrophysics Data System (ADS)

Zhou, Zigang; Yang, Yongjia; Wang, Qiang; Sun, Guangchun

2009-05-01

Ion-exchange technique in glass was developed to fabricate gradient refractive index optical devices. In this paper, the Finite Difference Method(FDM), which is used for the solution of ion-diffusion equation, is reported. This method transforms continual diffusion equation to separate difference equation. It unitizes the matrix of MATLAB program to solve the iteration process. The collation results under square boundary condition show that it gets a more accurate numerical solution. Compared to experiment data, the relative error is less than 0.2%. Furthermore, it has simply operation and kinds of output solutions. This method can provide better results for border-proliferation of the hexagonal and the channel devices too.

Exciton Transport Simulations in Phenyl Cored Thiophene Dendrimers

NASA Astrophysics Data System (ADS)

Kim, Kwiseon; Erkan Kose, Muhammet; Graf, Peter; Kopidakis, Nikos; Rumbles, Garry; Shaheen, Sean E.

2009-03-01

Phenyl cored 3-arm and 4-arm thiophene dendrimers are promising materials for use in photovoltaic devices. It is important to understand the energy transfer mechanisms in these molecules to guide the synthesis of novel dendrimers with improved efficiency. A method is developed to estimate the exciton diffusion lengths for the dendrimers and similar chromophores in amorphous films. The approach exploits Fermi's Golden Rule to estimate the energy transfer rates for an ensemble of bimolecular complexes in random orientations. Using Poisson's equation to evaluate Coulomb integrals led to efficient calculation of excitonic couplings between the transition densities. Monte-Carlo simulations revealed the dynamics of energy transport in the dendrimers. Experimental exciton diffusion lengths of the dendrimers range 10 ˜ 20 nm, increasing with the size of the dendrimer. Simulated diffusion lengths correlate well with experiments. The chemical structure of the chromophore, the shape of the transition densities and the exciton lifetime are found to be the most important factors that determine the exciton diffusion length in amorphous films.

Method and apparatus for determining minority carrier diffusion length in semiconductors

DOEpatents

Goldstein, Bernard; Dresner, Joseph; Szostak, Daniel J.

1983-07-12

Method and apparatus are provided for determining the diffusion length of minority carriers in semiconductor material, particularly amorphous silicon which has a significantly small minority carrier diffusion length using the constant-magnitude surface-photovoltage (SPV) method. An unmodulated illumination provides the light excitation on the surface of the material to generate the SPV. A manually controlled or automatic servo system maintains a constant predetermined value of the SPV. A vibrating Kelvin method-type probe electrode couples the SPV to a measurement system. The operating optical wavelength of an adjustable monochromator to compensate for the wavelength dependent sensitivity of a photodetector is selected to measure the illumination intensity (photon flux) on the silicon. Measurements of the relative photon flux for a plurality of wavelengths are plotted against the reciprocal of the optical absorption coefficient of the material. A linear plot of the data points is extrapolated to zero intensity. The negative intercept value on the reciprocal optical coefficient axis of the extrapolated linear plot is the diffusion length of the minority carriers.

Carrier diffusion as a measure of carrier/exciton transfer rate in InAs/InGaAsP/InP hybrid quantum dot-quantum well structures emitting at telecom spectral range

NASA Astrophysics Data System (ADS)

Rudno-Rudziński, W.; Biegańska, D.; Misiewicz, J.; Lelarge, F.; Rousseau, B.; Sek, G.

2018-01-01

We investigate the diffusion of photo-generated carriers (excitons) in hybrid two dimensional-zero dimensional tunnel injection structures, based on strongly elongated InAs quantum dots (called quantum dashes, QDashes) of various heights, designed for emission at around 1.5 μm, separated by a 3.5 nm wide barrier from an 8 nm wide In0.64Ga0.36As0.78P0.22 quantum well (QW). By measuring the spectrally filtered real space images of the photoluminescence patterns with high resolution, we probe the spatial extent of the emission from QDashes. Deconvolution with the exciting light spot shape allows us to extract the carrier/exciton diffusion lengths. For the non-resonant excitation case, the diffusion length depends strongly on excitation power, pointing at carrier interactions and phonons as its main driving mechanisms. For the case of excitation resonant with absorption in the adjacent QW, the diffusion length does not depend on excitation power for low excitation levels since the generated carriers do not have sufficient excess kinetic energy. It is also found that the diffusion length depends on the quantum-mechanical coupling strength between QW and QDashes, controlled by changing the dash size. It influences the energy difference between the QDash ground state of the system and the quantum well levels, which affects the tunneling rates. When that QW-QDash level separation decreases, the probability of capturing excitons generated in the QW by QDashes increases, which is reflected by the decreased diffusion length from approx. 5 down to 3 μm.

Acid diffusion, standing waves, and information theory: a molecular-scale model of chemically amplified resist

NASA Astrophysics Data System (ADS)

Trefonas, Peter, III; Allen, Mary T.

1992-06-01

Shannon's information theory is adapted to analyze the photolithographic process, defining the mask pattern as the prior state. Definitions and constraints to the general theory are developed so that the information content at various stages of the lithographic process can be described. Its application is illustrated by exploring the information content within projected aerial images and resultant latent images. Next, a 3-dimensional molecular scale model of exposure, acid diffusion, and catalytic crosslinking in acid-hardened resists (AHR) is presented. In this model, initial positions of photogenerated acids are determined by probability functions generated from the aerial images and the local light intensity in the film. In order to simulate post-exposure baking processes, acids are diffused in a random walk manner, for which the catalytic chain length and the average distance between crosslinks can be set. Crosslink locations are defined in terms of the topologically minimized number required to link different chains. The size and location of polymer chains involved in a larger scale crosslinked network is established and related to polymer solubility. In this manner, the nature of the crosslinked latent image can be established. Good correlation with experimental data is found for the calculated percent insolubilization as a function of dose when the rms acid diffusion length is about 500 angstroms. Information analysis is applied in detail to the specific example of AHR chemistry. The information contained within the 3-D crosslinked latent image is explored as a function of exposure dose, catalytic chain length, average distance between crosslinks. Eopt (the exposure dose which optimizes the information contained within the latent image) was found to vary with catalytic chain length in a manner similar to that observed experimentally in a plot of E90 versus post-exposure bake time. Surprisingly, the information content of the crosslinked latent image remains high even when rms diffusion lengths are as long as 1500 angstroms. The information content of a standing wave is shown to decrease with increasing diffusion length, with essentially all standing wave information being lost at diffusion lengths greater than 450 angstroms. A unique mechanism for self-contrast enhancement and high resolution in AHR resist is proposed.

Ion-Exchanged Waveguides for Signal Processing Applications - A Novel Electrolytic Process.

DTIC Science & Technology

1987-03-07

were constructed of aluminium : the thermo- limitations in the melt are not expected to dominate couple sheath was stainless steel. the exchange rate...silver ion, D is its T, C0 , and t) with Schott 8011 glass (left) and a Fisher self-diffusion coefficient, and t is the time of diffusion. microscope

First-Principles Analysis of Defect Thermodynamics and Ion Transport in Inorganic SEI Compounds: LiF and NaF

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

Yildirim, Handan; Kinaci, Alper; Chan, Maria K. Y.

The formation mechanism and composition of the solid electrolyte interphase (SEI) in lithium ion batteries has been widely explored. However, relatively little is known about the function of the SEI as a transport medium. Such critical information is directly relevant to battery rate performance, power loss, and capacity fading. To partially bridge this gap in the case of inorganic SEI compounds, we report herein the results of first-principles calculations on the defect thermodynamics, the dominant diffusion carriers, and the diffusion pathways associated with crystalline LiF and NaF, which are stable components of the SEI in Li-ion and Na-ion batteries, respectively.more » The thermodynamics of common point defects are computed, and the dominant diffusion carriers are determined over a voltage range of 0-4 V, corresponding to conditions relevant to both anode and cathode SEI's. Our analyses reveal that for both compounds, vacancy defects are energetically more favorable, therefore form more readily than interstitials, due to the close-packed nature of the crystal structures. However, the vacancy concentrations are very small for the diffusion processes facilitated by defects. Ionic conductivities are calculated as a function of voltage, considering the diffusion carrier concentration and the diffusion barriers as determined by nudged elastic band calculations. These conductivities are more than ten orders of magnitude smaller in NaF than in LiF. As compared to the diffusivity of Li in other common inorganic SEI compounds, such as Li2CO3 and Li2O,the cation diffusivity in LiF and NaF is quite low, with at least three orders of magnitude lower ionic conductivities. The results quantify the extent to which fluorides pose rate limitations in Li and Na batteries.« less

Method for forming metallic silicide films on silicon substrates by ion beam deposition

DOEpatents

Zuhr, Raymond A.; Holland, Orin W.

1990-01-01

Metallic silicide films are formed on silicon substrates by contacting the substrates with a low-energy ion beam of metal ions while moderately heating the substrate. The heating of the substrate provides for the diffusion of silicon atoms through the film as it is being formed to the surface of the film for interaction with the metal ions as they contact the diffused silicon. The metallic silicide films provided by the present invention are contaminant free, of uniform stoichiometry, large grain size, and exhibit low resistivity values which are of particular usefulness for integrated circuit production.

Fe3O4/C composite with hollow spheres in porous 3D-nanostructure as anode material for the lithium-ion batteries

NASA Astrophysics Data System (ADS)

Yang, Zhao; Su, Danyang; Yang, Jinping; Wang, Jing

2017-09-01

3d transition-metal oxides, especially Fe3O4, as anode materials for the lithium-ion batteries have been attracting intensive attentions in recent years due to their high energy capacity and low toxicity. A new Fe3O4/C composite with hollow spheres in porous three-dimensional (3D) nanostructure, which was synthesized by a facile solvothermal method using FeCl3·6H2O and porous spongy carbon as raw materials. The specific surface area and microstructures of composite were characterized by nitrogen adsorption-desorption isotherm method, FE-SEM and HR-TEM. A homogeneous distribution of hollow Fe3O4 spheres (diameter ranges from 120 nm to 150 nm) in the spongy carbon (pore size > 200 nm) conductive 3D-network significantly reduced the lithium-ion diffusion length and increased the electrochemical reaction area, and further more enhanced the lithium ion battery performance, such as discharge capacity and cycle life. As an anode material for the lithium-ion battery, the title composite exhibit excellent electrochemical properties. The Fe3O4/C composite electrode achieved a relatively high reversible specific capacity of 1450.1 mA h g-1 in the first cycle at 100 mA g-1, and excellent rate capability (69% retention at 1000 mA g-1) with good cycle stability (only 10% loss after 100 cycles).

Relation between heat of vaporization, ion transport, molar volume, and cation-anion binding energy for ionic liquids.

PubMed

Borodin, Oleg

2009-09-10

A number of correlations between heat of vaporization (H(vap)), cation-anion binding energy (E(+/-)), molar volume (V(m)), self-diffusion coefficient (D), and ionic conductivity for 29 ionic liquids have been investigated using molecular dynamics (MD) simulations that employed accurate and validated many-body polarizable force fields. A significant correlation between D and H(vap) has been found, while the best correlation was found for -log(DV(m)) vs H(vap) + 0.28E(+/-). A combination of enthalpy of vaporization and a fraction of the cation-anion binding energy was suggested as a measure of the effective cohesive energy for ionic liquids. A deviation of some ILs from the reported master curve is explained based upon ion packing and proposed diffusion pathways. No general correlations were found between the ion diffusion coefficient and molecular volume or the diffusion coefficient and cation/anion binding energy.

Diffusion engineering of ions and charge carriers for stable efficient perovskite solar cells

NASA Astrophysics Data System (ADS)

Bi, Enbing; Chen, Han; Xie, Fengxian; Wu, Yongzhen; Chen, Wei; Su, Yanjie; Islam, Ashraful; Grätzel, Michael; Yang, Xudong; Han, Liyuan

2017-06-01

Long-term stability is crucial for the future application of perovskite solar cells, a promising low-cost photovoltaic technology that has rapidly advanced in the recent years. Here, we designed a nanostructured carbon layer to suppress the diffusion of ions/molecules within perovskite solar cells, an important degradation process in the device. Furthermore, this nanocarbon layer benefited the diffusion of electron charge carriers to enable a high-energy conversion efficiency. Finally, the efficiency on a perovskite solar cell with an aperture area of 1.02 cm2, after a thermal aging test at 85 °C for over 500 h, or light soaking for 1,000 h, was stable of over 15% during the entire test. The present diffusion engineering of ions/molecules and photo generated charges paves a way to realizing long-term stable and highly efficient perovskite solar cells.

Ion Diffusion-Directed Assembly Approach to Ultrafast Coating of Graphene Oxide Thick Multilayers.

PubMed

Zhao, Xiaoli; Gao, Weiwei; Yao, Weiquan; Jiang, Yanqiu; Xu, Zhen; Gao, Chao

2017-10-24

The layer-by-layer (LbL) assembly approach has been widely used to fabricate multilayer coatings on substrates with multiple cycles, whereas it is hard to access thick films efficiently. Here, we developed an ion diffusion-directed assembly (IDDA) strategy to rapidly make multilayer thick coatings in one step on arbitrary substrates. To achieve multifunctional coatings, graphene oxide (GO) and metallic ions were selected as the typical building blocks and diffusion director in IDDA, respectively. With diffusion of metallic ions from substrate to negatively charged GO dispersion spontaneously (i.e., from high-concentration region to low-concentration region), GO was assembled onto the substrate sheet-by-sheet via sol-gel transformation. Because metallic ions with size of subnanometers can diffuse directionally and freely in the aqueous dispersion, GO was coated on the substrate efficiently, giving rise to films with desired thickness up to 10 μm per cycle. The IDDA approach shows three main merits: (1) high efficiency with a μm-scale coating rate; (2) controllability over thickness and evenness; and (3) generality for substrates of plastics, metals and ceramics with any shapes and morphologies. With these merits, IDDA strategy was utilized in the efficient fabrication of functional graphene coatings that exhibit outstanding performance as supercapacitors, electromagnetic interference shielding textiles, and anticorrosion coatings. This IDDA approach can be extended to other building blocks including polymers and colloidal nanoparticles, promising for the scalable production and application of multifunctional coatings.

Nanoenergetics and High Hydrogen Content Materials for Space Propulsion

DTIC Science & Technology

2012-09-01

carried out in an effort to determine the mechanisms that account for the effect of catalysts. Diffusion flame lengths , crystal burn times, and...times. The diffusion flame length was found to increase proportionally with the propellant’s burning rate. The findings of this experimental study

Modeling of batch sorber system: kinetic, mechanistic, and thermodynamic modeling

NASA Astrophysics Data System (ADS)

Mishra, Vishal

2017-10-01

The present investigation has dealt with the biosorption of copper and zinc ions on the surface of egg-shell particles in the liquid phase. Various rate models were evaluated to elucidate the kinetics of copper and zinc biosorptions, and the results indicated that the pseudo-second-order model was more appropriate than the pseudo-first-order model. The curve of the initial sorption rate versus the initial concentration of copper and zinc ions also complemented the results of the pseudo-second-order model. Models used for the mechanistic modeling were the intra-particle model of pore diffusion and Bangham's model of film diffusion. The results of the mechanistic modeling together with the values of pore and film diffusivities indicated that the preferential mode of the biosorption of copper and zinc ions on the surface of egg-shell particles in the liquid phase was film diffusion. The results of the intra-particle model showed that the biosorption of the copper and zinc ions was not dominated by the pore diffusion, which was due to macro-pores with open-void spaces present on the surface of egg-shell particles. The thermodynamic modeling reproduced the fact that the sorption of copper and zinc was spontaneous, exothermic with the increased order of the randomness at the solid-liquid interface.

Helium, Iron and Electron Particle Transport and Energy Transport Studies on the TFTR Tokamak

DOE R&D Accomplishments Database

Synakowski, E. J.; Efthimion, P. C.; Rewoldt, G.; Stratton, B. C.; Tang, W. M.; Grek, B.; Hill, K. W.; Hulse, R. A.; Johnson, D .W.; Mansfield, D. K.; McCune, D.; Mikkelsen, D. R.; Park, H. K.; Ramsey, A. T.; Redi, M. H.; Scott, S. D.; Taylor, G.; Timberlake, J.; Zarnstorff, M. C. (Princeton Univ., NJ (United States). Plasma Physics Lab.); Kissick, M. W. (Wisconsin Univ., Madison, WI (United States))

1993-03-01

Results from helium, iron, and electron transport on TFTR in L-mode and Supershot deuterium plasmas with the same toroidal field, plasma current, and neutral beam heating power are presented. They are compared to results from thermal transport analysis based on power balance. Particle diffusivities and thermal conductivities are radially hollow and larger than neoclassical values, except possibly near the magnetic axis. The ion channel dominates over the electron channel in both particle and thermal diffusion. A peaked helium profile, supported by inward convection that is stronger than predicted by neoclassical theory, is measured in the Supershot The helium profile shape is consistent with predictions from quasilinear electrostatic drift-wave theory. While the perturbative particle diffusion coefficients of all three species are similar in the Supershot, differences are found in the L-Mode. Quasilinear theory calculations of the ratios of impurity diffusivities are in good accord with measurements. Theory estimates indicate that the ion heat flux should be larger than the electron heat flux, consistent with power balance analysis. However, theoretical values of the ratio of the ion to electron heat flux can be more than a factor of three larger than experimental values. A correlation between helium diffusion and ion thermal transport is observed and has favorable implications for sustained ignition of a tokamak fusion reactor.

Ion Transport via Structural Relaxations in Polymerized Ionic Liquids

NASA Astrophysics Data System (ADS)

Ganesan, Venkat; Mogurampelly, Santosh

We study the mechanisms underlying ion transport in poly(1-butyl-3-vinylimidazolium-hexafluorophosphate) polymer electrolytes. We consider polymer electrolytes of varying polymerized ionic liquid to ionic liquid (polyIL:IL) ratios and use atomistic molecular dynamics (MD) simulations to probe the dynamical and structural characteristics of the electrolyte. Our results reveal that anion diffusion along polymer backbone occurs primarily viathe formation and breaking of ion-pairs involving threepolymerized cationic monomers of twodifferent polymer chains. Moreover, we observe that the ionic diffusivities exhibit a direct correlation with the structural relaxation times of the ion-pairs and hydrogen bonds (H-bonds). These results provide new insights into the mechanisms underlying ion transport in polymerized ionic liquid electrolytes.

Radon (222Rn) in ground water of fractured rocks: A diffusion/ion exchange model

USGS Publications Warehouse

Wood, W.W.; Kraemer, T.F.; Shapiro, A.

2004-01-01

Ground waters from fractured igneous and high-grade sialic metamorphic rocks frequently have elevated activity of dissolved radon (222Rn). A chemically based model is proposed whereby radium (226Ra) from the decay of uranium (238U) diffuses through the primary porosity of the rock to the water-transmitting fracture where it is sorbed on weathering products. Sorption of 226Ra on the fracture surface maintains an activity gradient in the rock matrix, ensuring a continuous supply of 226Ra to fracture surfaces. As a result of the relatively long half-life of 226Ra (1601 years), significant activity can accumulate on fracture surfaces. The proximity of this sorbed 226Ra to the active ground water flow system allows its decay progeny 222Rn to enter directly into the water. Laboratory analyses of primary porosity and diffusion coefficients of the rock matrix, radon emanation, and ion exchange at fracture surfaces are consistent with the requirements of a diffusion/ion- exchange model. A dipole-brine injection/withdrawal experiment conducted between bedrock boreholes in the high-grade metamorphic and granite rocks at the Hubbard Brook Experimental Forest, Grafton County, New Hampshire, United States (42??56???N, 71??43???W) shows a large activity of 226Ra exchanged from fracture surfaces by a magnesium brine. The 226Ra activity removed by the exchange process is 34 times greater than that of 238U activity. These observations are consistent with the diffusion/ion-exchange model. Elutriate isotopic ratios of 223Ra/226Ra and 238U/226Ra are also consistent with the proposed chemically based diffusion/ion-exchange model.

A Comparative Study of Ion Diffusion from Calcium Hydroxide with Various Herbal Pastes through Dentin

PubMed Central

Dhirawani, Rajesh B; Marya, Jayant; Dhirawani, Vrinda; Kumar, Vijayendra

2017-01-01

Aim The aim of this study was to evaluate the diffusion ability of ions through dentinal tubules of different nonalcoholic calcium hydroxide-containing herbal pastes and compare it with the calcium hydroxide paste prepared with saline. Materials and methods A total of 36 single-rooted premolar teeth were used in this study. The tooth crowns were removed and the root canals were prepared. Depending on the vehicle to be used for preparing calcium hydroxide pastes, six groups were made: Group I: Ca(OH)2 saline paste (control group), group II: Ca(OH)2 papaya latex paste, group III: Ca(OH)2 coconut water paste, group IV: Ca(OH)2 Ashwagandha (Withania somnifera) paste, group V: Ca(OH)2 Tulsi (Ocimum tenuiflorum) paste, and group VI: Ca(OH)2 garlic (Allium sativum) paste. After biomechanical preparation, calcium hydroxide herbal paste dressings were applied and sealed with resin-based cement. The teeth were placed in containers with deionized water, and the pH of the water was measured at regular intervals over 3, 24, 72, and 168 hours. Results We observed that all herbal pastes allowed the diffusion of ions, but pastes prepared with Ashwagandha and papaya latex showed more ion diffusion after 168 hours and marked increase in pH, depicting better support for calcium hydroxide action. Conclusion We conclude that Ashwagandha and papaya latex allow better diffusion of calcium hydroxide through den-tinal tubules, thus enhancing its action, and advise its use as a vehicle for placing intracanal medicament. How to cite this article Dausage P, Dhirawani RB, Marya J, Dhirawani V, Kumar V. A Comparative Study of Ion Diffusion from Calcium Hydroxide with Various Herbal Pastes through Dentin. Int J Clin Pediatr Dent 2017;10(1):41-44. PMID:28377654

Multicomponent diffusion in molten salt NaF-ZrF4: Dynamical correlations and Maxwell-Stefan diffusivities

NASA Astrophysics Data System (ADS)

Baig, Mohammad Saad; Chakraborty, Brahmananda; Ramaniah, Lavanya M.

2016-05-01

NaF-ZrF4 is used as a waste incinerator and as a coolant in Generation IV reactors.Structural and dynamical properties of molten NaF-ZrF4 system were studied along with Onsagercoefficients and Maxwell-Stefan (MS) Diffusivities applying Green-Kubo formalism and molecular dynamics (MD) simulations. The zirconium ions are found to be 8 fold coordinated with fluoride ions for all temperatures and concentrations. All the diffusive flux correlations show back-scattering. Even though the MS diffusivities are expected to depend very lightly on the composition because of decoupling of thermodynamic factor, the diffusivity ĐNa-F shows interesting behavior with the increase in concentration of ZrF4. This is because of network formation in NaF-ZrF4. Positive entropy constraints have been plotted to authenticate negative diffusivities observed.

Forward and back diffusion through argillaceous formations

NASA Astrophysics Data System (ADS)

Yang, Minjune; Annable, Michael D.; Jawitz, James W.

2017-05-01

The exchange of solutes between aquifers and lower-permeability argillaceous formations is of considerable interest for solute and contaminant fate and transport. We present a synthesis of analytical solutions for solute diffusion between aquifers and single aquitard systems, validated in well-controlled experiments, and applied to several data sets from laboratory and field-scale problems with diffusion time and length scales ranging from 10-2 to 108 years and 10-2 to 102 m. One-dimensional diffusion models were applied using the method of images to consider the general cases of a finite aquitard bounded by two aquifers at the top and bottom, or a semiinfinite aquitard bounded by an aquifer. The simpler semiinfinite equations are appropriate for all domains with dimensionless relative diffusion length, ZD < 0.7. At dimensionless length scales above this threshold, application of semiinfinite equations to aquitards of finite thickness leads to increasing errors and solutions based on the method of images are required. Measured resident solute concentration profiles in aquitards and flux-averaged solute concentrations in surrounding aquifers were accurately modeled by appropriately accounting for generalized dynamic aquifer-aquitard boundary conditions, including concentration gradient reversals. Dimensionless diffusion length scales were used to illustrate the transferability of these relatively simple models to physical systems with dimensions that spanned 10 orders of magnitude. The results of this study offer guidance on the application of a simplified analytical approach to environmentally important layered problems with one or two diffusion interfaces.

Non-Contact Measurement of Thermal Diffusivity in Ion-Implanted Nuclear Materials

NASA Astrophysics Data System (ADS)

Hofmann, F.; Mason, D. R.; Eliason, J. K.; Maznev, A. A.; Nelson, K. A.; Dudarev, S. L.

2015-11-01

Knowledge of mechanical and physical property evolution due to irradiation damage is essential for the development of future fission and fusion reactors. Ion-irradiation provides an excellent proxy for studying irradiation damage, allowing high damage doses without sample activation. Limited ion-penetration-depth means that only few-micron-thick damaged layers are produced. Substantial effort has been devoted to probing the mechanical properties of these thin implanted layers. Yet, whilst key to reactor design, their thermal transport properties remain largely unexplored due to a lack of suitable measurement techniques. Here we demonstrate non-contact thermal diffusivity measurements in ion-implanted tungsten for nuclear fusion armour. Alloying with transmutation elements and the interaction of retained gas with implantation-induced defects both lead to dramatic reductions in thermal diffusivity. These changes are well captured by our modelling approaches. Our observations have important implications for the design of future fusion power plants.

Non-Contact Measurement of Thermal Diffusivity in Ion-Implanted Nuclear Materials

DOE PAGES

Hofmann, F.; Mason, D. R.; Eliason, J. K.; ...

2015-11-03

Knowledge of mechanical and physical property evolution due to irradiation damage is essential for the development of future fission and fusion reactors. Ion-irradiation provides an excellent proxy for studying irradiation damage, allowing high damage doses without sample activation. Limited ion-penetration-depth means that only few-micron-thick damaged layers are produced. Substantial effort has been devoted to probing the mechanical properties of these thin implanted layers. Yet, whilst key to reactor design, their thermal transport properties remain largely unexplored due to a lack of suitable measurement techniques. Here we demonstrate non-contact thermal diffusivity measurements in ion-implanted tungsten for nuclear fusion armour. Alloying withmore » transmutation elements and the interaction of retained gas with implantation-induced defects both lead to dramatic reductions in thermal diffusivity. These changes are well captured by our modelling approaches. Our observations have important implications for the design of future fusion power plants.« less

Non-Contact Measurement of Thermal Diffusivity in Ion-Implanted Nuclear Materials

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

Hofmann, F.; Mason, D. R.; Eliason, J. K.

Knowledge of mechanical and physical property evolution due to irradiation damage is essential for the development of future fission and fusion reactors. Ion-irradiation provides an excellent proxy for studying irradiation damage, allowing high damage doses without sample activation. Limited ion-penetration-depth means that only few-micron-thick damaged layers are produced. Substantial effort has been devoted to probing the mechanical properties of these thin implanted layers. Yet, whilst key to reactor design, their thermal transport properties remain largely unexplored due to a lack of suitable measurement techniques. Here we demonstrate non-contact thermal diffusivity measurements in ion-implanted tungsten for nuclear fusion armour. Alloying withmore » transmutation elements and the interaction of retained gas with implantation-induced defects both lead to dramatic reductions in thermal diffusivity. These changes are well captured by our modelling approaches. Our observations have important implications for the design of future fusion power plants.« less

Non-Contact Measurement of Thermal Diffusivity in Ion-Implanted Nuclear Materials

PubMed Central

Hofmann, F.; Mason, D. R.; Eliason, J. K.; Maznev, A. A.; Nelson, K. A.; Dudarev, S. L.

2015-01-01

Knowledge of mechanical and physical property evolution due to irradiation damage is essential for the development of future fission and fusion reactors. Ion-irradiation provides an excellent proxy for studying irradiation damage, allowing high damage doses without sample activation. Limited ion-penetration-depth means that only few-micron-thick damaged layers are produced. Substantial effort has been devoted to probing the mechanical properties of these thin implanted layers. Yet, whilst key to reactor design, their thermal transport properties remain largely unexplored due to a lack of suitable measurement techniques. Here we demonstrate non-contact thermal diffusivity measurements in ion-implanted tungsten for nuclear fusion armour. Alloying with transmutation elements and the interaction of retained gas with implantation-induced defects both lead to dramatic reductions in thermal diffusivity. These changes are well captured by our modelling approaches. Our observations have important implications for the design of future fusion power plants. PMID:26527099

Lithium-ion diffusion mechanisms in the battery anode material Li(1+x)V(1-x)O₂.

PubMed

Panchmatia, Pooja M; Armstrong, A Robert; Bruce, Peter G; Islam, M Saiful

2014-10-21

Layered Li(1+x)V(1-x)O2 has attracted recent interest as a potential low voltage and high energy density anode material for lithium-ion batteries. A greater understanding of the lithium-ion transport mechanisms is important in optimising such oxide anodes. Here, stoichiometric LiVO2 and Li-rich Li1.07V0.93O2 are investigated using atomistic modelling techniques. Lithium-ion migration is not found in LiVO2, which has also previously shown to be resistant to lithium intercalation. Molecular dynamics simulations of lithiated non-stoichiometric Li(1.07+y)V0.93O2 suggest cooperative interstitial Li(+) diffusion with favourable migration barriers and diffusion coefficients (D(Li)), which are facilitated by the presence of lithium in the transition metal layers; such transport behaviour is important for high rate performance as a battery anode.

Frictional and structural characterization of ion-nitrided low and high chromium steels

NASA Technical Reports Server (NTRS)

Spalvins, T.

1985-01-01

Low Cr steels AISI 41410, AISI 4340, and high Cr austenitic stainless steels AISI 304, AISI 316 were ion nitrided in a dc glow discharge plasma consisting of a 75 percent H2 - 25 percent N2 mixture. Surface compound layer phases were identified, and compound layer microhardness and diffusion zone microhardness profiles were established. Distinct differences in surface compound layer hardness and diffusion zone profiles were determined between the low and high Cr alloy steels. The high Cr stainless steels after ion nitriding displayed a hard compound layer and an abrupt diffusion zone. The compound layers of the high Cr stainless steels had a columnar structure which accounts for brittleness when layers are exposed to contact stresses. The ion nitrided surfaces of high and low Cr steels displayed a low coefficient of friction with respect to the untreated surfaces when examined in a pin and disk tribotester.

Turbulent Transport of Fast Ions in the Large Plasma Device (LAPD)

NASA Astrophysics Data System (ADS)

Zhou, Shu; Heidbrink, William; McWilliams, Roger; Boehmer, Heinrich; Carter, Troy; Popovich, Pavel; Tripathi, Shreekrishna; Vincena, Steve; Jenko, Frank

2010-11-01

Due to gyroradius averaging and drift-orbit averaging, the transport of fast ions by microturbulence is often smaller than for thermal ions. In this experiment, Strong drift wave turbulence is observed in LAPD on gradients produced by a plate obstacle. Energetic lithium ions orbit through the turbulent region. Scans with a collimated analyzer and with probes give detailed profiles of the fast ion spatial distribution and of the fluctuating fields. The fast-ion transport decreases rapidly with increasing fast-ion gyroradius. Unlike the diffusive transport caused by Coulomb collisions, in this case the turbulent transport is non-diffusive. Analysis and simulation suggest that the fast ions interact ballistically with stationary two-dimensional electrostatic turbulence. The energy dependence of the transport is well explained by gyro-averaging theory. In new experiments, different sources and obstacles alter the drift-wave turbulence to modify the nature of the transport.

Effect of Ambipolar Diffusion on Ion Abundances in Contracting Protostellar Cores

NASA Astrophysics Data System (ADS)

Ciolek, Glenn E.; Mouschovias, Telemachos Ch.

1998-09-01

Numerical simulations and analytical solutions have established that ambipolar diffusion can reduce the dust-to-gas ratio in magnetically and thermally supercritical cores during the epoch of core formation. We study the effect that this has on the ion chemistry in contracting protostellar cores and present a simplified analytical method that allows one to calculate the ion power-law exponent k (≡d ln ni/d ln nn, where ni and nn are the ion and neutral densities, respectively) as a function of core density. We find that, as in earlier numerical simulations, no single value of k can adequately describe the ion abundance for nn <~ 109 cm-3, a result that is contrary to the ``canonical'' value of k = 1/2 found in previous static equilibrium chemistry calculations and often used to study the effect of ambipolar diffusion in interstellar clouds. For typical cloud and grain parameters, reduction of the abundance of grains results in k > 1/2 during the core formation epoch (densities <~105 cm-3). As a consequence, observations of the degree of ionization in cores could be used, in principle, to determine whether ambipolar diffusion is responsible for core formation in interstellar molecular clouds. For densities >>105 cm-3, k is generally <<1/2.

Radiation Effects in Advanced Multiple Gate and Silicon-on-Insulator Transistors

NASA Astrophysics Data System (ADS)

Simoen, Eddy; Gaillardin, Marc; Paillet, Philippe; Reed, Robert A.; Schrimpf, Ron D.; Alles, Michael L.; El-Mamouni, Farah; Fleetwood, Daniel M.; Griffoni, Alessio; Claeys, Cor

2013-06-01

The aim of this review paper is to describe in a comprehensive manner the current understanding of the radiation response of state-of-the-art Silicon-on-Insulator (SOI) and FinFET CMOS technologies. Total Ionizing Dose (TID) response, heavy-ion microdose effects and single-event effects (SEEs) will be discussed. It is shown that a very high TID tolerance can be achieved by narrow-fin SOI FinFET architectures, while bulk FinFETs may exhibit similar TID response to the planar devices. Due to the vertical nature of FinFETs, a specific heavy-ion response can be obtained, whereby the angle of incidence becomes highly important with respect to the vertical sidewall gates. With respect to SEE, the buried oxide in the SOI FinFETs suppresses the diffusion tails from the charge collection in the substrate compared to the planar bulk FinFET devices. Channel lengths and fin widths are now comparable to, or smaller than the dimensions of the region affected by the single ionizing ions or lasers used in testing. This gives rise to a high degree of sensitivity to individual device parameters and source-drain shunting during ion-beam or laser-beam SEE testing. Simulations are used to illuminate the mechanisms observed in radiation testing and the progress and needs for the numerical modeling/simulation of the radiation response of advanced SOI and FinFET transistors are highlighted.

Ion-barrier for memristors/ReRAM and methods thereof

DOEpatents

Haase, Gad S.

2017-11-28

The present invention relates to memristive devices including a resistance-switching element and a barrier element. In particular examples, the barrier element is a monolayer of a transition metal chalcogenide that sufficiently inhibits diffusion of oxygen atoms or ions out of the switching element. As the location of these atoms and ions determine the state of the device, inhibiting diffusion would provide enhanced state retention and device reliability. Other types of barrier elements, as well as methods for forming such elements, are described herein.

Li+ ions diffusion into sol-gel V2O5 thin films: electrochromic properties

NASA Astrophysics Data System (ADS)

Benmoussa, M.; Outzourhit, A.; Bennouna, A.; Ihlal, A.

2009-10-01

V{2}O{5} thin films were prepared by the sol-gel spin coating process. The Li+ ions insertion effect on optical and electrochromic properties of those films was studied. The diffusion coefficient was calculated using both cyclic voltammograms and chronoamperometric curves. The amount x of Li+ ions in LixV{2}O{5} was also calculated. Finally, the electrochromic performance evolution characteristics such as the reversibility, coloration efficiency, coloration memory stability and response time were studied.

The Effect of Limited Diffusion and Wet-Dry Cycling on Reversible Polymerization Reactions: Implications for Prebiotic Synthesis of Nucleic Acids.

PubMed

Higgs, Paul G

2016-06-08

A long-standing problem for the origins of life is that polymerization of many biopolymers, including nucleic acids and peptides, is thermodynamically unfavourable in aqueous solution. If bond making and breaking is reversible, monomers and very short oligomers predominate. Recent experiments have shown that wetting and drying cycles can overcome this problem and drive the formation of longer polymers. In the dry phase, bond formation is favourable, but diffusion is restricted, and bonds only form between monomers that are initially close together. In the wet phase, some of the bonds are hydrolyzed. However, repositioning of the molecules allows new bonds to form in the next dry phase, leading to an increase in mean polymer length. Here, we consider a simple theoretical model that explains the effect of cycling. There is an equilibrium length distribution with a high mean length that could be achieved if diffusion occurred freely in the dry phase. This equilibrium is inaccessible without diffusion. A single dry cycle without diffusion leads to mean lengths much shorter than this. Repeated cycling leads to a significant increase in polymerization relative to a single cycle. In the most favourable case, cycling leads to the same equilibrium length distribution as would be achieved if free diffusion were possible in the dry phase. These results support the RNA World scenario by explaining a potential route to synthesis of long RNAs; however, they also imply that cycling would be beneficial to the synthesis of other kinds of polymers, including peptides, where bond formation involves a condensation reaction.

The Effect of Limited Diffusion and Wet–Dry Cycling on Reversible Polymerization Reactions: Implications for Prebiotic Synthesis of Nucleic Acids

PubMed Central

Higgs, Paul G.

2016-01-01

A long-standing problem for the origins of life is that polymerization of many biopolymers, including nucleic acids and peptides, is thermodynamically unfavourable in aqueous solution. If bond making and breaking is reversible, monomers and very short oligomers predominate. Recent experiments have shown that wetting and drying cycles can overcome this problem and drive the formation of longer polymers. In the dry phase, bond formation is favourable, but diffusion is restricted, and bonds only form between monomers that are initially close together. In the wet phase, some of the bonds are hydrolyzed. However, repositioning of the molecules allows new bonds to form in the next dry phase, leading to an increase in mean polymer length. Here, we consider a simple theoretical model that explains the effect of cycling. There is an equilibrium length distribution with a high mean length that could be achieved if diffusion occurred freely in the dry phase. This equilibrium is inaccessible without diffusion. A single dry cycle without diffusion leads to mean lengths much shorter than this. Repeated cycling leads to a significant increase in polymerization relative to a single cycle. In the most favourable case, cycling leads to the same equilibrium length distribution as would be achieved if free diffusion were possible in the dry phase. These results support the RNA World scenario by explaining a potential route to synthesis of long RNAs; however, they also imply that cycling would be beneficial to the synthesis of other kinds of polymers, including peptides, where bond formation involves a condensation reaction. PMID:27338479

Studies on Molecular and Ion Transport in Silicalite Membranes and Applications as Ion Separator for Redox Flow Battery

NASA Astrophysics Data System (ADS)

Yang, Ruidong

Microporous zeolite membranes have been widely studied for molecular separations based on size exclusion or preferential adsorption-diffusion mechanisms. The MFI-type zeolite membranes were also demonstrated for brine water desalination by molecular sieving effect. In this research, the pure silica MFI-type zeolite (i.e. silicalite) membrane has been for the first time demonstrated for selective permeation of hydrated proton (i.e. H3O+) in acidic electrolyte solutions. The silicalite membrane allows for permeation of H 3O+ ions, but is inaccessible to the large hydrated multivalent vanadium ions due to steric effect. The silicalite membrane has been further demonstrated as an effective ion separator in the all-vanadium redox flow battery (RFB).The silicalite is nonionic and its proton conductivity relies on the electric field-driven H3O+ transport through the sub nanometer-sized pores under the RFB operation conditions. The silicalite membrane displayed a significantly reduced self-discharge rate because of its high proton-to-vanadium ion transport selectivity. However, the nonionic nature of the silicalite membrane and very small diffusion channel size render low proton conductivity and is therefore inefficient as ion exchange membranes (IEMs) for practical applications. The proton transport efficiency may be improved by reducing the membrane thickness. However, the zeolite thin films are extremely fragile and must be supported on mechanically strong and rigid porous substrates. In this work, silicalite-Nafion composite membranes were synthesized to achieve a colloidal silicalite skin on the Nafion thin film base. The "colloidal zeolite-ionic polymer" layered composite membrane combines the advantages of high proton-selectivity of the zeolite layer and the mechanical flexibility and low proton transport resistance of the ionic polymer membrane. The composite membrane exhibited higher proton/vanadium ion separation selectivity and lower electrical resistance than the commercial Nafion 117 membrane. The high proton transport selectivity is a result of the molecular sieving effect between the H3O+ and multivalent vanadium ions by the zeolitic pores; thus the zeolite particles significantly reduced the effective membrane surface area for vanadium ion permeation. The low resistance of the composite membrane can be attributed to the reduced thickness of the Nafion base film and the thinness of the colloidal silicalite top layer. The composite membrane outperformed the Nafion 117 membrane in the vanadium RFB operation in terms of the overall charge-discharge energy efficiency. Efforts have been made in further investigation of ion and molecular transport diffusivity in the polycrystalline silicalite film using zeolite-coated optical fiber interferometers. A physical model has been established for analyzing the molecular diffusivity in the zeolite layer based on the temporal responses of the optical interferometric signals during the transient process of molecular sorption. Experiments were first carried out to study the diffusivity of isobutane to evaluate the effectiveness of the proposed optical method. The isobutane diffusivities in silicalite measured by this method were in good agreement with the values reported in literature. The zeolite coated fiber optic interferometer was however ineffective in monitoring ion sorption or ion exchange in the silicalite films. It is suggested that more sensitive fiber optic devices are needed for studying the ion diffusion.

Channel waveguides in glass via silver-sodium field-assisted ion exchange

NASA Technical Reports Server (NTRS)

Forrest, K.; Pagano, S. J.; Viehmann, W.

1986-01-01

Multimode channel waveguides have been formed in sodium aluminosilicate glass by field-assisted diffusion of Ag(+) ions from vacuum-evaporated Ag films. The two-dimensional refractive index profiles of the waveguides were controlled by varying the diffusion time, the diffusion temperature, and the electric field strength. Estimates of the diffusion rate through a strip aperture were obtained, assuming the electric field was strong 120-240 V/mm. The maximum change in refractive index in the sodium aluminosilicate glasses was estimated near 65 percent of the change in soda-lime silicate glass. The physical properties of the glasses are given in a table.

Two Birds with One Stone: Tailoring Singlet Fission for Both Triplet Yield and Exciton Diffusion Length

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

Zhu, Tong; Wan, Yan; Guo, Zhi

2016-06-27

By direct imaging of singlet and triplet populations with ultrafast microscopy, it is shown that the triplet diffusion length and singlet fission yield can be simultaneously optimized for tetracene and its derivatives, making them ideal structures for application in bilayer solar cells.

Meso and Micro Scale Propulsion Concepts for Small Spacecraft

DTIC Science & Technology

2006-07-28

flame length , QF is the volumetric flow rate of the fuel, D is the binary diffusion coefficient of the fuel in the oxidizer, and YFsoi, is the...R, can yield the same flame length . Most laminar diffusion flames are buoyancy-controlled since a small exit velocity is generally required to

Diffusion doping in quantum dots: bond strength and diffusivity.

PubMed

Saha, Avijit; Makkar, Mahima; Shetty, Amitha; Gahlot, Kushagra; A R, Pavan; Viswanatha, Ranjani

2017-02-23

Semiconducting materials uniformly doped with optical or magnetic impurities have been useful in a number of potential applications. However, clustering or phase separation during synthesis has made this job challenging. Recently the "inside out" diffusion doping was proposed to be successful in obtaining large sized quantum dots (QDs) uniformly doped with a dilute percentage of dopant atoms. Herein, we demonstrate the use of basic physical chemistry of diffusion to control the size and concentration of the dopants within the QDs for a given transition metal ion. We have studied three parameters; the bond strength of the core molecules and the diffusion coefficient of the diffusing metal ion are found to be important while the ease of cation exchange was not highly influential in the control of size and concentration of the single domain dilute magnetic semiconductor quantum dots (DMSQDs) with diverse dopant ions M 2+ (Fe 2+ , Ni 2+ , Co 2+ , Mn 2+ ). Steady state optical emission spectra reveal that the dopants are incorporated inside the semiconducting CdS and the emission can be tuned during shell growth. We have shown that this method enables control over doping percentage and the QDs show a superior ferromagnetic response at room temperature as compared to previously reported systems.

Interstitial diffusion in lithium-ion battery electrodes and structural phase transitions in crystalline solids from first principles

NASA Astrophysics Data System (ADS)

Bhattacharya, Jishnu

We perform first-principles investigations of thermally activated phase transitions and diffusion in solids. The atomic scale energy landscapes are evaluated with first-principles total energy calculations for different structural and configurational microstates. Effective Hamiltonians constructed from the total energies are subjected to Monte Carlo simulations to study thermodynamic and kinetic properties of the solids at finite temperatures. Cubic to tetragonal martensitic phase transitions are investigated beyond the harmonic approximation. As an example, stoichiometric TiH2 is studied where a cubic phase becomes stable at high temperature while ab-initio energy calculations predict the cubic phase to be mechanically unstable with respect to tetragonal distortions at zero Kelvin. An anharmonic Hamiltonian is used to explain the stability of the cubic phase at higher temperature. The importance of anharmonic terms is emphasized and the true nature of the high temperature phase is elucidated beyond the traditional Landau-like explanation. In Li-ion battery electrodes, phase transitions due to atomic redistribution with changes in Li concentration occur with insertion (removal) of Li-ions during discharge (charge). A comprehensive study of the thermodynamics and the non-dilute Li-diffusion mechanisms in spinel-Li1+xTi2 O4 is performed. Two distinct phases are predicted at different lithium compositions. The predicted voltage curve qualitatively matches with experimental observation. The predicted fast diffusion arises from crystallographic features unique to the spinel crystal structure elucidating the crucial role of crystal structure on Li diffusion in intercalation compounds. Effects of anion and guest species on diffusion are elucidated with Li- and Cu-diffusion in spinel-LixTiS2. We predict strong composition dependence of the diffusion coefficients. A unique feature about spinel-LixTiS2 is that the intermediate site of a Li-hop is coordinated by four Li-sites. This results in di- and triple-vacancy mechanisms at non-dilute concentrations with very different migration barriers. The strong dependence of hop mechanisms on local Li-arrangement is at the origin of large concentration dependence of the diffusion coefficients. This contrasts with spinel-Li xTiO2 where the transition states are coordinated only by the end states of the hop, thereby restricting hops to a single vacancy mechanism. Cu ions are predicted to have much slower diffusion rate in TiS 2 host compared to Li ions.

Penta-graphene: A Promising Anode Material as the Li/Na-Ion Battery with Both Extremely High Theoretical Capacity and Fast Charge/Discharge Rate.

PubMed

Xiao, Bo; Li, Yan-Chun; Yu, Xue-Fang; Cheng, Jian-Bo

2016-12-28

Recently, a new two-dimensional (2D) carbon allotrope named penta-graphene was theoretically proposed ( Zhang , S. ; et al. Proc. Natl. Acad. Sci. U.S.A. 2015 , 112 , 2372 ) and has been predicted to be the promising candidate for broad applications due to its intriguing properties. In this work, by using first-principles simulation, we have further extended the potential application of penta-graphene as the anode material for a Li/Na-ion battery. Our results show that the theoretical capacity of Li/Na ions on penta-graphene reaches up to 1489 mAh·g -1 , which is much higher than that of most of the previously reported 2D anode materials. Meanwhile, the calculated low open-circuit voltages (from 0.24 to 0.60 V), in combination with the low diffusion barriers (≤0.33 eV) and the high electronic conductivity during the whole Li/Na ions intercalation processes, further show the advantages of penta-graphene as the anode material. Particularly, molecular dynamics simulation (300 K) reveals that Li ion could freely diffuse on the surface of penta-graphene, and thus the ultrafast Li ion diffusivity is expected. Superior performance of penta-graphene is further confirmed by comparing with the other 2D anode materials. The light weight and unique atomic arrangement (with isotropic furrow paths on the surface) of penta-graphene are found to be mainly responsible for the high Li/Na ions storage capacity and fast diffusivity. In this regard, except penta-graphene, many other recently proposed 2D metal-free materials with pentagonal Cairo-tiled structures may be the potential candidates as the Li/Na-ion battery anodes.

Spin diffusion in disordered organic semiconductors

NASA Astrophysics Data System (ADS)

Li, Ling; Gao, Nan; Lu, Nianduan; Liu, Ming; Bässler, Heinz

2015-12-01

An analytical theory for spin diffusion in disordered organic semiconductors is derived. It is based on percolation theory and variable range hopping in a disordered energy landscape with a Gaussian density of states. It describes universally the dependence of the spin diffusion on temperature, carrier density, material disorder, magnetic field, and electric field at the arbitrary magnitude of the Hubbard energy of charge pairs. It is found that, compared to the spin transport carried by carriers hopping, the spin exchange will hinder the spin diffusion process at low carrier density, even under the condition of a weak electric field. Importantly, under the influence of a bias voltage, anomalous spreading of the spin packet will lead to an abnormal temperature dependence of the spin diffusion coefficient and diffusion length. This explains the recent experimental data for spin diffusion length observed in Alq3.

Cylindrical diffuser performance using a truncated plug nozzle

NASA Technical Reports Server (NTRS)

Galanga, F. L.; Mueller, T. J.

1976-01-01

Cylindrical diffuser performance for a truncated plug nozzle without external flow was tested in a blowdown wind tunnel. The nozzle was designed for an exit Mach number of 1.9 and the plug was conical in shape from the throat and converged to the axis of symmetry at an angle of 10 degrees. The diffuser section was fashioned into two 13.97 cm lengths to facilitate boring of the duct diameter and to allow for testing of two different duct lengths. A slotted hypotube was installed in the base of the diffuser to measure pressure distribution down the centerline of the diffuser. The data obtained included: the typical centerline and sidewall pressure ratio variation along the diffuser, cell pressure ratio vs overall pressure ratio for long and short diffusers and a comparison of minimum experimental cell pressure ratio vs area ratio.

Low-energy ion acceleration at quasi-perpendicular shocks: Transverse diffusion

NASA Technical Reports Server (NTRS)

Giacalone, J.; Jokipii, J. R.

1995-01-01

The problem of ion injection and acceleration at quasi perpendicular shocks has been the subject of some debate over the past two decades. It is widely known that these shocks efficiently accelerate particles that are well in the high-energy tail of the distribution. However, the issue of injection, or the acceleration of low-energy ions, has yet to reach a consensus. The fundamental issue is whether there is enough diffusion normal to the magnetic field for the particles to remain near the shock. Since transverse diffusion is a physical process that is not well understood in space plasmas, this is an important, and difficult issue to address. In this report, we will investigate the ion injection problem by performing test particle orbit integrations using synthesized turbulent fields. These fields are fully three-dimensional so that transverse diffusion is possible (cross-field diffusion is not possible in geometries where the electromagnetic fields are less than three dimensional). The synthesized fields are produced by superimposing a three-dimensional wave field on a background field. For completeness, we will compare the results from this model with the more well-established theories, such as the diffusive approximation and scatter-free shock drift acceleration. We will also compare these results with other numerical simulation techniques such as the well known hybrid simulation, and other test-particle calculations in which the shock fields are specified to have less than three dimensions. We will also discuss some recent relevant observations and how these compare with our results.

Unraveling the mechanism of selective ion transport in hydrophobic subnanometer channels

PubMed Central

Li, Hui; Francisco, Joseph S.; Zeng, Xiao Cheng

2015-01-01

Recently reported synthetic organic nanopore (SONP) can mimic a key feature of natural ion channels, i.e., selective ion transport. However, the physical mechanism underlying the K+/Na+ selectivity for the SONPs is dramatically different from that of natural ion channels. To achieve a better understanding of the selective ion transport in hydrophobic subnanometer channels in general and SONPs in particular, we perform a series of ab initio molecular dynamics simulations to investigate the diffusivity of aqua Na+ and K+ ions in two prototype hydrophobic nanochannels: (i) an SONP with radius of 3.2 Å, and (ii) single-walled carbon nanotubes (CNTs) with radii of 3–5 Å (these radii are comparable to those of the biological potassium K+ channels). We find that the hydration shell of aqua Na+ ion is smaller than that of aqua K+ ion but notably more structured and less yielding. The aqua ions do not lower the diffusivity of water molecules in CNTs, but in SONP the diffusivity of aqua ions (Na+ in particular) is strongly suppressed due to the rugged inner surface. Moreover, the aqua Na+ ion requires higher formation energy than aqua K+ ion in the hydrophobic nanochannels. As such, we find that the ion (K+ vs. Na+) selectivity of the (8, 8) CNT is ∼20× higher than that of SONP. Hence, the (8, 8) CNT is likely the most efficient artificial K+ channel due in part to its special interior environment in which Na+ can be fully solvated, whereas K+ cannot. This work provides deeper insights into the physical chemistry behind selective ion transport in nanochannels. PMID:26283377

The Effect of Pickling on Blue Borscht Gelatin and Other Interesting Diffusive Phenomena.

ERIC Educational Resources Information Center

Davis, Lawrence C.; Chou, Nancy C.

1998-01-01

Presents some simple demonstrations that students can construct for themselves in class to learn the difference between diffusion and convection rates. Uses cabbage leaves and gelatin and focuses on diffusion in ungelified media, a quantitative diffusion estimate with hydroxyl ions, and a quantitative diffusion estimate with photons. (DDR)

Nuclear magnetic resonance investigation of dynamics in poly(ethylene oxide) based polyether-ester-sulfonate ionomers

NASA Astrophysics Data System (ADS)

Roach, David J.

Nuclear magnetic resonance (NMR) spectroscopy has been utilized to investigate the dynamics of poly(ethylene oxide)-based lithium sulfonate ionomer samples that have low glass transition temperatures. 1H and 7Li spin-lattice relaxation times (T1) of the bulk polymer and lithium ions, respectively, were measured and analyzed in samples with a range of ion contents. The temperature dependence of T1 values along with the presence of minima in T1 as a function of temperature enabled correlation times and activation energies to be obtained for both the segmental motion of the polymer backbone and the hopping motion of lithium cations. Similar activation energies for motion of both the polymer and lithium ions in the samples with lower ion content indicate that the polymer segmental motion and lithium ion hopping motion are correlated in these samples, even though lithium hopping is about ten times slower than the segmental motion. A divergent trend is observed for correlation times and activation energies of the highest ion content sample with 100% lithium sulfonation due to the presence of ionic aggregation. Details of the polymer and cation dynamics on the nanosecond timescale are discussed and complement the findings of X-ray scattering and Quasi Elastic Neutron Scattering experiments. Polymer backbone dynamics of single ion conducting poly(ethylene oxide) (PEO)-based ionomer samples with low glass transition temperatures (T g) have been investigated using solid-state nuclear magnetic resonance (NMR). Experiments detecting 13C with 1H decoupling under magic angle spinning (MAS) conditions identified the different components and relative mobilities of the polymer backbone of a suite of. lithium- and sodium-containing ionomer samples with varying cation contents. Variable temperature (203-373 K) 1H-13C cross-polarization MAS (CP-MAS) experiments also provided qualitative assessment of the differences in the motions of the polymer backbone components as a function of cation content. Each of the main backbone components (PEO spacer and isophthalate groups) exhibit distinct motions, following the trends expected for motional characteristics based on earlier Quasi Elastic Neutron Scattering and 1H spin-lattice relaxation rate measurements. The temperature dependences of 13C linewidths were used to both qualitatively and quantitatively examine the effects of cation content on PEO mobility. Variable contact time 1H-13C CP-MAS experiments were used to further assess the motions of the polymer backbone on the microsecond timescale. The motion of the PEO spacer, determined from the rate of magnetization transfer from 1H to 13C nuclei, in all ionic samples becomes similar for T [special characters omitted] 1.1 Tg, indicating that the motions of the polymer backbones on the microsecond timescale become insensitive to ion interactions. These results compliment previous findings and present an improved picture of the dependence of backbone dynamics on cation type and density in these amorphous PEO-based ionomer systems. 7Li PFG NMR experiments provided measurements of the self-diffusion coefficients for Li+ cations in the PEO600-y Li ionomer series over a range of temperatures. When the Tg values are taken into account, the self-diffusion coefficients of Li+ in each sample follow a similar trendline, indicating that lithium diffusion is independent of ion concentration at any given reduced inverse temperature, Tg/T. Ion aggregation increases Tg and slows both lithium cation diffusion and displacement, but there is no further slowing beyond the Tg effect in the PEO600-y Li ionomers samples. The differences in activation energies obtained from diffusion measurements and relaxation times suggest that at least one additional barrier must be overcome for cations emerge from local hopping motion to macroscopic cation transpfort. Using the Nernst- Einstein equation lithium diffusion coefficients were also calculated from conductivity measurements. The differences between the diffusion measured by the two separate techniques indicate the presence of ion pairs. The activation energy of lithium diffusion was found to be nearly identical between the PFG NMR and conductivity, suggesting that the conductivity and ionic diffusion are related to the same ionic dynamics. As the ion content within the PEO600-y Li samples increases the relative concentration of nonconducting ion pairs decrease. Also an increase in temperature causes a fraction of ion pairs to thermally dissociate into positive triple ions.

A molecular dynamics study of the role of molecular water on the structure and mechanics of amorphous geopolymer binders.

PubMed

Sadat, Mohammad Rafat; Bringuier, Stefan; Asaduzzaman, Abu; Muralidharan, Krishna; Zhang, Lianyang

2016-10-07

In this paper, molecular dynamics simulations are used to study the effect of molecular water and composition (Si/Al ratio) on the structure and mechanical properties of fully polymerized amorphous sodium aluminosilicate geopolymer binders. The X-ray pair distribution function for the simulated geopolymer binder phase showed good agreement with the experimentally determined structure in terms of bond lengths of the various atomic pairs. The elastic constants and ultimate tensile strength of the geopolymer binders were calculated as a function of water content and Si/Al ratio; while increasing the Si/Al ratio from one to three led to an increase in the respective values of the elastic stiffness and tensile strength, for a given Si/Al ratio, increasing the water content decreased the stiffness and strength of the binder phase. An atomic-scale analysis showed a direct correlation between water content and diffusion of alkali ions, resulting in the weakening of the AlO 4 tetrahedral structure due to the migration of charge balancing alkali ions away from the tetrahedra, ultimately leading to failure. In the presence of water molecules, the diffusion behavior of alkali cations was found to be particularly anomalous, showing dynamic heterogeneity. This paper, for the first time, proves the efficacy of atomistic simulations for understanding the effect of water in geopolymer binders and can thus serve as a useful design tool for optimizing composition of geopolymers with improved mechanical properties.

Coupling between the Dynamics of Water and Surfactants in Lyotropic Liquid Crystals

DOE PAGES

McDaniel, Jesse G.; Yethiraj, Arun

2017-04-26

Bilayers composed of lipid or surfactant molecules are central to biological membranes and lamellar lyotropic liquid crystalline (LLC) phases. Common to these systems are phases that exhibit either ordered or disordered packing of the hydrophobic tails. In this work, we study the impact of surfactant ordering, i.e., disordered L α and ordered L β LLC phases, on the dynamics of water and sodium ions in the lamellar phases of dicarboxylate gemini surfactants. We study the different phases at identical hydration levels by changing the length of the hydrophobic tails; surfactants with shorter tails form L α phases and those withmore » longer tails form L β phases. We find that the L α phases exhibit lower density and greater compressibility than the L β phases, with a hydration-dependent headgroup surface area. These structural differences significantly affect the relative dynamic properties of the phases, primarily the mobility of the surfactant molecules tangential to the bilayer surface, as well as the rates of water and ion diffusion. We find ~20–50% faster water diffusion in the L α phases compared to the L β phases, with the differences most pronounced at low hydration. This coupling between water dynamics and surfactant mobility is verified using additional simulations in which the surfactant tails are frozen. Our study indicates that gemini surfactant LLCs provide an important prototypical system for characterizing properties shared with more complex biological lipid membranes.« less

Correlating steric hydration forces with water dynamics through surface force and diffusion NMR measurements in a lipid–DMSO–H2O system

PubMed Central

Schrader, Alex M.; Donaldson, Stephen H.; Song, Jinsuk; Cheng, Chi-Yuan; Lee, Dong Woog; Han, Songi; Israelachvili, Jacob N.

2015-01-01

Dimethyl sulfoxide (DMSO) is a common solvent and biological additive possessing well-known utility in cellular cryoprotection and lipid membrane permeabilization, but the governing mechanisms at membrane interfaces remain poorly understood. Many studies have focused on DMSO–lipid interactions and the subsequent effects on membrane-phase behavior, but explanations often rely on qualitative notions of DMSO-induced dehydration of lipid head groups. In this work, surface forces measurements between gel-phase dipalmitoylphosphatidylcholine membranes in DMSO–water mixtures quantify the hydration- and solvation-length scales with angstrom resolution as a function of DMSO concentration from 0 mol% to 20 mol%. DMSO causes a drastic decrease in the range of the steric hydration repulsion, leading to an increase in adhesion at a much-reduced intermembrane distance. Pulsed field gradient NMR of the phosphatidylcholine (PC) head group analogs, dimethyl phosphate and tetramethylammonium ions, shows that the ion hydrodynamic radius decreases with increasing DMSO concentration up to 10 mol% DMSO. The complementary measurements indicate that, at concentrations below 10 mol%, the primary effect of DMSO is to decrease the solvated volume of the PC head group and that, from 10 mol% to 20 mol%, DMSO acts to gradually collapse head groups down onto the surface and suppress their thermal motion. This work shows a connection between surface forces, head group conformation and dynamics, and surface water diffusion, with important implications for soft matter and colloidal systems. PMID:26261313

Engineering 3D bicontinuous hierarchically macro-mesoporous LiFePO4/C nanocomposite for lithium storage with high rate capability and long cycle stability

PubMed Central

Zhang, Qian; Huang, Shao-Zhuan; Jin, Jun; Liu, Jing; Li, Yu; Wang, Hong-En; Chen, Li-Hua; Wang, Bin-Jie; Su, Bao-Lian

2016-01-01

A highly crystalline three dimensional (3D) bicontinuous hierarchically macro-mesoporous LiFePO4/C nanocomposite constructed by nanoparticles in the range of 50~100 nm via a rapid microwave assisted solvothermal process followed by carbon coating have been synthesized as cathode material for high performance lithium-ion batteries. The abundant 3D macropores allow better penetration of electrolyte to promote Li+ diffusion, the mesopores provide more electrochemical reaction sites and the carbon layers outside LiFePO4 nanoparticles increase the electrical conductivity, thus ultimately facilitating reverse reaction of Fe3+ to Fe2+ and alleviating electrode polarization. In addition, the particle size in nanoscale can provide short diffusion lengths for the Li+ intercalation-deintercalation. As a result, the 3D macro-mesoporous nanosized LiFePO4/C electrode exhibits excellent rate capability (129.1 mA h/g at 2 C; 110.9 mA h/g at 10 C) and cycling stability (87.2% capacity retention at 2 C after 1000 cycles, 76.3% at 5 C after 500 cycles and 87.8% at 10 C after 500 cycles, respectively), which are much better than many reported LiFePO4/C structures. Our demonstration here offers the opportunity to develop nanoscaled hierarchically porous LiFePO4/C structures for high performance lithium-ion batteries through microwave assisted solvothermal method. PMID:27181195

Engineering 3D bicontinuous hierarchically macro-mesoporous LiFePO4/C nanocomposite for lithium storage with high rate capability and long cycle stability.

PubMed

Zhang, Qian; Huang, Shao-Zhuan; Jin, Jun; Liu, Jing; Li, Yu; Wang, Hong-En; Chen, Li-Hua; Wang, Bin-Jie; Su, Bao-Lian

2016-05-16

A highly crystalline three dimensional (3D) bicontinuous hierarchically macro-mesoporous LiFePO4/C nanocomposite constructed by nanoparticles in the range of 50~100 nm via a rapid microwave assisted solvothermal process followed by carbon coating have been synthesized as cathode material for high performance lithium-ion batteries. The abundant 3D macropores allow better penetration of electrolyte to promote Li(+) diffusion, the mesopores provide more electrochemical reaction sites and the carbon layers outside LiFePO4 nanoparticles increase the electrical conductivity, thus ultimately facilitating reverse reaction of Fe(3+) to Fe(2+) and alleviating electrode polarization. In addition, the particle size in nanoscale can provide short diffusion lengths for the Li(+) intercalation-deintercalation. As a result, the 3D macro-mesoporous nanosized LiFePO4/C electrode exhibits excellent rate capability (129.1 mA h/g at 2 C; 110.9 mA h/g at 10 C) and cycling stability (87.2% capacity retention at 2 C after 1000 cycles, 76.3% at 5 C after 500 cycles and 87.8% at 10 C after 500 cycles, respectively), which are much better than many reported LiFePO4/C structures. Our demonstration here offers the opportunity to develop nanoscaled hierarchically porous LiFePO4/C structures for high performance lithium-ion batteries through microwave assisted solvothermal method.

Active Generation and Propagation of Ca2+ Signals within Tunneling Membrane Nanotubes

PubMed Central

Smith, Ian F.; Shuai, Jianwei; Parker, Ian

2011-01-01

A new mechanism of cell-cell communication was recently proposed after the discovery of tunneling nanotubes (TNTs) between cells. TNTs are membrane protrusions with lengths of tens of microns and diameters of a few hundred nanometers that permit the exchange of membrane and cytoplasmic constituents between neighboring cells. TNTs have been reported to mediate intercellular Ca2+ signaling; however, our simulations indicate that passive diffusion of Ca2+ ions alone would be inadequate for efficient transmission between cells. Instead, we observed spontaneous and inositol trisphosphate (IP3)-evoked Ca2+ signals within TNTs between cultured mammalian cells, which sometimes remained localized and in other instances propagated as saltatory waves to evoke Ca2+ signals in a connected cell. Consistent with this, immunostaining showed the presence of both endoplasmic reticulum and IP3 receptors along the TNT. We propose that IP3 receptors may actively propagate intercellular Ca2+ signals along TNTs via Ca2+-induced Ca2+ release, acting as amplification sites to overcome the limitations of passive diffusion in a chemical analog of electrical transmission of action potentials. PMID:21504718

Modeling Diffusion Induced Stresses for Lithium-Ion Battery Materials

NASA Astrophysics Data System (ADS)

Chiu Huang, Cheng-Kai

Advancing lithium-ion battery technology is of paramount importance for satisfying the energy storage needs in the U.S., especially for the application in the electric vehicle industry. To provide a better acceleration for electric vehicles, a fast and repeatable discharging rate is required. However, particle fractures and capacity loss have been reported under high current rate (C-rate) during charging/discharging and after a period of cycling. During charging and discharging, lithium ions extract from and intercalate into electrode materials accompanied with the volume change and phase transition between Li-rich phase and Li-poor phase. It is suggested that the diffusion-induced-stress is one of the main reasons causing capacity loss due to the mechanical degradation of electrode particles. Therefore, there is a fundamental need to provide a mechanistic understanding by considering the structure-mechanics-property interactions in lithium-ion battery materials. Among many cathode materials, the olivine-based lithium-iron-phosphate (LiFePO4) with an orthorhombic crystal structure is one of the promising cathode materials for the application in electric vehicles. In this research we first use a multiphysic approach to investigate the stress evolution, especially on the phase boundary during lithiation in single LiFePO4 particles. A diffusion-controlled finite element model accompanied with the experimentally observed phase boundary propagation is developed via a finite element package, ANSYS, in which lithium ion concentration-dependent anisotropic material properties and volume misfits are incorporated. The stress components on the phase boundary are used to explain the Mode I, Mode II, and Mode III fracture propensities in LiFePO4 particles. The elastic strain energy evolution is also discussed to explain why a layer-by-layer lithium insertion mechanism (i.e. first-order phase transformation) is energetically preferred. Another importation issue is how current rate (C-rate) during charging/discharging affects diffusion induced stresses inside electrode materials. For the experimental part we first conduct charging/discharging under different C-rates to observe the voltage responses for commercial LiFePO4 batteries. Then Time-of-Flight Secondary Ion Mass Spectrometry technique is applied to measure the lithium ion intensities in different C-rate charged/discharged samples. These experimental results could be used to support that a more significant voltage fluctuation under high C-rates is due to different lithium insertion mechanisms, rather than the amount of lithium ions intercalated into electrode materials. Thus the investigation of C-rate-dependent stress evolution is required for the development of a more durable lithium ion battery. In this dissertation, we extend the single particle finite element model to investigate the C-rate-dependent diffusion induced stresses in a multi-particle system. Concentration dependent anisotropic material properties, C-rate-dependent volume misfits and concentration dependent Li-ion diffusivity are incorporated in the model. The concentration gradients, diffusion induced stresses, and strain energies under different C-rates are discussed in this study. Particle fractures have been observed in many experimental results, in this study we further discuss the effect of the crack surface orientation on the lithium concentration profile and stress level in cathode materials. The results of this dissertation provide a better understanding of diffusion induced stresses in electrode materials and contribute to our fundamental knowledge of interplay between lithium intercalations, stress evolutions, particle fractures and the capacity fade in lithium-ion batteries.

Interpretation of scanning electron microscope measurements of minority carrier diffusion lengths in semiconductors

NASA Technical Reports Server (NTRS)

Flat, A.; Milnes, A. G.

1978-01-01

In scanning electron microscope (SEM) injection measurements of minority carrier diffusion lengths some uncertainties of interpretation exist when the response current is nonlinear with distance. This is significant in epitaxial layers where the layer thickness is not large in relation to the diffusion length, and where there are large surface recombination velocities on the incident and contact surfaces. An image method of analysis is presented for such specimens. A method of using the results to correct the observed response in a simple convenient way is presented. The technique is illustrated with reference to measurements in epitaxial layers of GaAs. Average beam penetration depth may also be estimated from the curve shape.

Ion acceleration in a plasma focus

NASA Technical Reports Server (NTRS)

Gary, S. P.

1974-01-01

The electric and magnetic fields associated with anomalous diffusion to the axis of a linear plasma discharge are used to compute representative ion trajectories. Substantial axial acceleration of the ions is demonstrated.

Layered materials with improved magnesium intercalation for rechargeable magnesium ion cells

DOEpatents

Doe, Robert Ellis; Downie, Craig Michael; Fischer, Christopher; Lane, George Hamilton; Morgan, Dane; Nevin, Josh; Ceder, Gerbrand; Persson, Kristin Aslaug; Eaglesham, David

2015-10-27

Electrochemical devices which incorporate cathode materials that include layered crystalline compounds for which a structural modification has been achieved which increases the diffusion rate of multi-valent ions into and out of the cathode materials. Examples in which the layer spacing of the layered electrode materials is modified to have a specific spacing range such that the spacing is optimal for diffusion of magnesium ions are presented. An electrochemical cell comprised of a positive intercalation electrode, a negative metal electrode, and a separator impregnated with a nonaqeuous electrolyte solution containing multi-valent ions and arranged between the positive electrode and the negative electrode active material is described.

The structure of a magnetic-field front propagating non-diffusively in low-resistivity multi-species plasma

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

Rubinstein, B.; Doron, R., E-mail: ramy.doron@weizmann.ac.il; Maron, Y.

2016-04-15

We report on the first experimental verification of the traveling-wave-like picture of a magnetic-field and an associated electric potential hill propagating non-diffusively in low resistivity plasma. High spatial resolution spectroscopic method, developed here, allowed for obtaining the detailed shape of the propagating magnetic-field front. The measurements demonstrated that the ion separation, previously claimed, results from the reflection of the higher charge-to-mass ratio ions from the propagating potential hill and from climbing the hill by the lower charge-to-mass ratio ions. This ion dynamics is found to be consistent with the observed electron density evolution.

Anomalous transport of charged dust grains in a magnetized collisional plasma: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Bezbaruah, Pratikshya; Das, Nilakshi

2018-05-01

Anomalous diffusion of charged dust grains immersed in a plasma in the presence of strong ion-neutral collision, flowing ions, and a magnetic field has been observed. Molecular Dynamics simulation confirms the deviation from normal diffusion in an ensemble of dust grains probed in laboratory plasma chambers. Collisional effects are significant in governing the nature of diffusion. In order to have a clear idea on the transport of particles in a real experimental situation, the contribution of streaming ions and the magnetic field along with collision is considered through the relevant interaction potential. The nonlinear evolution of Mean Square Displacement is an indication of the modification in particle trajectories due to several effects as mentioned above. It is found that strong collision and ion flow significantly affect the interparticle interaction potential in the presence of the magnetic field and lead to the appearance of the asymmetric type of Debye Hückel (D H) potential. Due to the combined effect of the magnetic field, ion flow, and collision, dusty plasma exhibits a completely novel behavior. The coupling parameter Γ enhances the asymmetric D H type potential arising due to ion flow, and this may drive the system to a disordered state.

Stability of Zircon and its Isotopic Ratios in High-Temperature Fluids: Long-Term (4 months) Isotope Exchange Experiment at 850 °C and 50 MPa

NASA Astrophysics Data System (ADS)

Bindeman, Ilya N.; Schmitt, Axel K.; Lundstrom, Craig C.; Hervig, Richard L.

2018-05-01

Stability of zircon in hydrothermal fluids and vanishingly slow rates of diffusion identify zircon as a reliable recorder of its formation conditions in recent and ancient rocks. Debate, however, persists on how rapidly oxygen and key trace elements (e.g., Li, B, Pb) diffuse when zircon is exposed to hot aqueous fluids. Here, we report results of a nano- to micrometer-scale investigation of isotopic exchange using natural zircon from Mesa Falls Tuff (Yellowstone) treated with quartz-saturated, isotopically (18O, D, 7Li, and 11B) labeled water with a nominal δ18O value of +450‰ over 4 months at 850°C and 50 MPa. Frontside (crystal rim inwards) δ18O depth profiling of zircon by magnetic sector SIMS shows initially high but decreasing 18O/16O over a 130 nm non-Fickian profile, with a decay length comparable to the signal from surficial Au coating deposited onto zircon. In contrast, backside (crystal interior outwards) depth profiling on a 2-3 µm thick wafer cut and thinned from treated zircon by focused ion beam (FIB) milling lacks any significant increase in 18O/16O during penetration of the original surface layer. Near-surface time-of-flight (TOF-SIMS) frontside profiles of uncoated zircon from 4-month and 1-day-long experiments as well as untreated zircons display similar enrichments of 18O over a distance of 20 nm. All frontside 18O profiles are here interpreted as transient surface signals from nm-thick surface enrichment or contamination unrelated to diffusion. Likewise, frontside depth profiling of H, Li, and B isotopes are similar for long- and short-duration experiments. Additionally, surface U-Pb dating of zircon from the 4-month experiment returned U-Pb ages by depth profiling with 1 µm penetration that were identical to untreated samples. Frontside and backside depth-profiling thus demonstrate that diffusive 18O enrichment in the presence of H2O is much slower than predicted from experiments in Watson and Cherniak (1997). Instead, intracrystalline exchange of oxygen between fluid and zircon in wet experimental conditions with excess silica occurred over length-scales equivalent to those predicted for dry diffusion. Oxygen diffusion coefficients even under wet conditions and elevated temperatures (850 °C) are <1-3×10-23 m2/sec, underscoring a virtual lack of oxygen diffusion and an outstanding survivability of zircons

Effects of polarizability on the structural and thermodynamics properties of [C{sub n}mim][Gly] ionic liquids (n = 1–4) using EEM/MM molecular dynamic simulations

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

Wu, Yang; Hu, Na; Yue, Lili

2015-02-14

An extended electronegativity equalization method/molecular mechanics (EEM/MM) model for ionic liquids is used to investigate the structures and properties of 1-alkyl-3-methylimidazolium glycine ionic liquids [C{sub n}mim][Gly] (n = 1–4) with alkyl substituents of different lengths. The EEM/MM model describes the electrostatic interactions of atoms and their changes in different ambient environments. This property is the most outstanding characteristic of the model. EEM parameters (i.e., valence electronegativities and valence hardness parameters) are calibrated using linear regression and least-squares methods, which can accurately predict the gas-phase properties of [C{sub n}mim]{sup +}, [Gly]{sup −}, and [C{sub n}mim][Gly] ion pairs. We utilize the EEM/MMmore » force field to systematically investigate the effects of polarizability on the accuracy of [C{sub n}mim][Gly] properties predicted through the molecular dynamic simulations. EEM/MM explicitly describes the atom-based polarizability of [C{sub n}mim][Gly]; thus, the densities, enthalpies of vaporization, self-diffusion coefficients, and conductivities of the [C{sub n}mim][Gly] are consistent with the experimental values. The calculated radial distribution functions provide a mechanistic understanding of the effects of polarizability on ionic aggregations in amino acid ionic liquids. The effects of alkyl chain length on the diffusion coefficient and conductivity are also discussed.« less

Electrodics: mesoscale physicochemical interactions in lithium-ion batteries

NASA Astrophysics Data System (ADS)

Mukherjee, Partha P.; Chen, Chien-Fan

2014-06-01

Recent years have witnessed an explosion of interest and research endeavor in lithium-ion batteries to enable vehicle electrification. In particular, a critical imperative is to accelerate innovation for improved performance, life and safety of lithium-ion batteries for electric drive vehicles. Lithium ion batteries are complex, dynamical systems which include a multitude of coupled physicochemical processes encompassing electronic/ionic/diffusive transport in solid/electrolyte phases, electrochemical and phase change reactions and diffusion induced stress generation in multi-scale porous electrode microstructures. While innovations in nanomaterials and nanostructures have spurred the recent advancements, fundamental understanding of the electrode processing - microstructure - performance interplay is of paramount importance. In this presentation, mesoscale physicochemical interactions in lithium-ion battery electrodes will be elucidated.

Ion-plasma protective coatings for gas-turbine engine blades

NASA Astrophysics Data System (ADS)

Kablov, E. N.; Muboyadzhyan, S. A.; Budinovskii, S. A.; Lutsenko, A. N.

2007-10-01

Evaporated, diffusion, and evaporation—diffusion protective and hardening multicomponent ionplasma coatings for turbine and compressor blades and other gas-turbine engine parts are considered. The processes of ion surface treatment (ion etching and ion saturation of a surface in the metallic plasma of a vacuum arc) and commercial equipment for the deposition of coatings and ion surface treatment are analyzed. The specific features of the ion-plasma coatings deposited from the metallic plasma of a vacuum arc are described, and the effect of the ion energy on the phase composition of the coatings and the processes occurring in the surface layer of an article to be treated are discussed. Some properties of ion-plasma coatings designed for various purposes are presented. The ion surface saturation of articles made from structural materials is shown to change the structural and phase states of their surfaces and, correspondingly, the related properties of these materials (i.e., their heat resistance, corrosion resistance, fatigue strength, and so on).

Transport of ions in presence of induced electric field and electrostatic turbulence - Source of ions injected into ring current

NASA Technical Reports Server (NTRS)

Cladis, J. B.; Francis, W. E.

1985-01-01

The transport of ions from the polar ionosphere to the inner magnetosphere during stormtime conditions has been computed using a Monte Carlo diffusion code. The effect of the electrostatic turbulence assumed to be present during the substorm expansion phase was simulated by a process that accelerated the ions stochastically perpendicular to the magnetic field with a diffusion coefficient proportional to the energization rate of the ions by the induced electric field. This diffusion process was continued as the ions were convected from the plasma sheet boundary layer to the double-spiral injection boundary. Inward of the injection boundary, the ions were convected adiabatically. By using as input an O(+) flux of 2.8 x 10 to the 8th per sq cm per s (w greater than 10 eV) and an H(+) flux of 5.5 x 10 to the 8th per sq cm per s (w greater than 0.63 eV), the computed distribution functions of the ions in the ring current were found to be in good agreement, over a wide range in L (4 to 8), with measurements made with the ISEE-1 satellite during a storm. This O(+) flux and a large part of the H(+) flux are consistent with the DE satellite measurements of the polar ionospheric outflow during disturbed times.

Determination of diffusing species from marker experiments in the system Ni Ti O

NASA Astrophysics Data System (ADS)

Schirmer, S.; Lindner, J. K. N.; Mändl, S.

2007-04-01

Surface modification of NiTi for improved biocompatibility is a pressing issue. Using oxygen plasma immersion ion implantation (PIII), it is possible to form closed TiO2 layers on NiTi3 on NiTi. Using 60Ni marker ions implanted at 180 keV, it is shown conclusively that mobile Ni are the diffusing species, with the onset of diffusion occurring between 300 and 400 °C. Additionally, Ni is selectively removed from the oxide by preferential sputtering from the surface.

Influence of coupling on thermal forces and dynamic friction in plasmas with multiple ion species

NASA Astrophysics Data System (ADS)

Kagan, Grigory; Baalrud, Scott D.; Daligault, Jérôme

2017-07-01

The recently proposed effective potential theory [Phys. Rev. Lett. 110, 235001 (2013)] is used to investigate the influence of coupling on inter-ion-species diffusion and momentum exchange in multi-component plasmas. Thermo-diffusion and the thermal force are found to diminish rapidly as strong coupling onsets. For the same coupling parameters, the dynamic friction coefficient is found to tend to unity. These results provide an impetus for addressing the role of coupling on diffusive processes in inertial confinement fusion experiments.

Influence of coupling on thermal forces and dynamic friction in plasmas with multiple ion species

DOE PAGES

Kagan, Grigory; Baalrud, Scott D.; Daligault, Jérôme

2017-07-05

The recently proposed effective potential theory [Phys. Rev. Lett. 110, 235001 (2013)] is used to investigate the influence of coupling on inter-ion-species diffusion and momentum exchange in multi-component plasmas. Thermo-diffusion and the thermal force are found to diminish rapidly as strong coupling onsets. We found that for the same coupling parameters, the dynamic friction coefficient there tends to be unity. Our results provide an impetus for addressing the role of coupling on diffusive processes in inertial confinement fusion experiments.

Influence of coupling on thermal forces and dynamic friction in plasmas with multiple ion species

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

Kagan, Grigory; Baalrud, Scott D.; Daligault, Jérôme

The recently proposed effective potential theory [Phys. Rev. Lett. 110, 235001 (2013)] is used to investigate the influence of coupling on inter-ion-species diffusion and momentum exchange in multi-component plasmas. Thermo-diffusion and the thermal force are found to diminish rapidly as strong coupling onsets. We found that for the same coupling parameters, the dynamic friction coefficient there tends to be unity. Our results provide an impetus for addressing the role of coupling on diffusive processes in inertial confinement fusion experiments.

Direct determination of minority carrier diffusion lengths at axial GaAs nanowire p-n junctions.

PubMed

Gutsche, Christoph; Niepelt, Raphael; Gnauck, Martin; Lysov, Andrey; Prost, Werner; Ronning, Carsten; Tegude, Franz-Josef

2012-03-14

Axial GaAs nanowire p-n diodes, possibly one of the core elements of future nanowire solar cells and light emitters, were grown via the Au-assisted vapor-liquid-solid mode, contacted by electron beam lithography, and investigated using electron beam induced current measurements. The minority carrier diffusion lengths and dynamics of both, electrons and holes, were determined directly at the vicinity of the p-n junction. The generated photocurrent shows an exponential decay on both sides of the junction and the extracted diffusion lengths are about 1 order of magnitude lower compared to bulk material due to surface recombination. Moreover, the observed strong diameter-dependence is well in line with the surface-to-volume ratio of semiconductor nanowires. Estimating the surface recombination velocities clearly indicates a nonabrupt p-n junction, which is in essential agreement with the model of delayed dopant incorporation in the Au-assisted vapor-liquid-solid mechanism. Surface passivation using ammonium sulfide effectively reduces the surface recombination and thus leads to higher minority carrier diffusion lengths. © 2012 American Chemical Society

Near-field cathodoluminescence studies on n-doped gallium nitride films

NASA Astrophysics Data System (ADS)

Nogales, E.; Joachimsthaler, I.; Heiderhoff, R.; Piqueras, J.; Balk, L. J.

2002-07-01

Near-field cathodoluminescence (NFCL) has been used to characterize hydride vapor phase epitaxy grown n-GaN films. This technique can obtain high resolution luminescence images and perform local measurements of the diffusion length for minority carriers in different parts of the sample. NFCL contrast observed in round growth hillocks at the sample surface, with a diameter of less than 10 mum, is compared with that observed by conventional cathodoluminescence in scanning electron microscope (CLSEM) techniques. In particular NFCL images reveal features not detected by CLSEM which is explained by the fact that under near field conditions the signal arises from a depth of only several tens of nanometers and is then directly related to the surface hillocks. Diffusion lengths of about 0.4 and 4 mum have been found for the holes in different regions of the samples at room temperature. The order of magnitude of these minority carriers diffusion lengths is in good agreement with previous measurements performed at different GaN samples with other techniques. The NFCL contrast and the differences in the measured diffusion lengths are discussed and explained by variations in local trap concentrations.

Increase in the diffusion length of minority carriers in Al{sub x}Ga{sub 1–x}N alloys ({sub x} = 0–0.1) fabricated by ammonia molecular beam epitaxy

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

Malin, T. V., E-mail: mal-tv@mail.ru; Gilinsky, A. M.; Mansurov, V. G.

2015-10-15

The room-temperature diffusion length of minority carriers in n-Al{sub 0.1}Ga{sub 0.9}N layers grown by ammonia molecular beam epitaxy on sapphire (0001) substrates used in structures for ultraviolet photodetectors is studied. Measurements were performed using the spectral dependence of the photocurrent recorded in a built-in p–n junction for thin samples and using the induced electron-current procedure for films up to 2 µm thick. The results show that the hole diffusion length in n-AlGaN films is 120–150 nm, which is larger than in GaN films grown under similar growth conditions by a factor of 3–4. This result can be associated with themore » larger lateral sizes characteristic of hexagonal columns in AlGaN layers grown by molecular beam epitaxy. No increase in the hole diffusion length is observed for thicker films.« less

Design study of primary ion provider for relativistic heavy ion collider electron beam ion source.

PubMed

Kondo, K; Kanesue, T; Tamura, J; Okamura, M

2010-02-01

Brookhaven National Laboratory has developed the new preinjector system, electron beam ion source (EBIS) for relativistic heavy ion collider (RHIC) and National Aeronautics and Space Administration Space Radiation Laboratory. Design of primary ion provider is an essential problem since it is required to supply beams with different ion species to multiple users simultaneously. The laser ion source with a defocused laser can provide a low charge state and low emittance ion beam, and is a candidate for the primary ion source for RHIC-EBIS. We show a suitable design with appropriate drift length and solenoid, which helps to keep sufficient total charge number with longer pulse length. The whole design of primary ion source, as well as optics arrangement, solid targets configuration and heating about target, is presented.

Factors Affecting the Production of Aromatic Immonium Ions in MALDI 157 nm Photodissociation Studies

NASA Astrophysics Data System (ADS)

DeGraan-Weber, Nick; Ashley, Daniel C.; Keijzer, Karlijn; Baik, Mu-Hyun; Reilly, James P.

2016-05-01

Immonium ions are commonly observed in the high energy fragmentation of peptide ions. In a MALDI-TOF/TOF mass spectrometer, singly charged peptides photofragmented with 157 nm VUV light yield a copious abundance of immonium ions, especially those from aromatic residues. However, their intensities may vary from one peptide to another. In this work, the effect of varying amino acid position, peptide length, and peptide composition on immonium ion yield is investigated. Internal immonium ions are found to have the strongest intensity, whereas immonium ions arising from C-terminal residues are the weakest. Peptide length and competition among residues also strongly influence the immonium ion production. Quantum calculations provide insights about immonium ion structures and the fragment ion conformations that promote or inhibit immonium ion formation.

Molecular simulation of structure and diffusion at smectite-water interfaces: Using expanded clay interlayers as model nanopores

DOE PAGES

Greathouse, Jeffery A.; Hart, David; Bowers, Geoffrey M.; ...

2015-07-20

In geologic settings relevant to a number of extraction and potential sequestration processes, nanopores bounded by clay mineral surfaces play a critical role in the transport of aqueous species. Solution structure and dynamics at clay–water interfaces are quite different from their bulk values, and the spatial extent of this disruption remains a topic of current interest. We have used molecular dynamics simulations to investigate the structure and diffusion of aqueous solutions in clay nanopores approximately 6 nm thick, comparing the effect of clay composition with model Na-hectorite and Na-montmorillonite surfaces. In addition to structural properties at the interface, water andmore » ion diffusion coefficients were calculated within each aqueous layer at the interface, as well as in the central bulk-like region of the nanopore. The results show similar solution structure and diffusion properties at each surface, with subtle differences in sodium adsorption complexes and water structure in the first adsorbed layer due to different arrangements of layer hydroxyl groups in the two clay models. Interestingly, the extent of surface disruption on bulk-like solution structure and diffusion extends to only a few water layers. Additionally, a comparison of sodium ion residence times confirms similar behavior of inner-sphere and outer-sphere surface complexes at each clay surface, but ~1% of sodium ions adsorb in ditrigonal cavities on the hectorite surface. Thus, the presence of these anhydrous ions is consistent with highly immobile anhydrous ions seen in previous nuclear magnetic resonance spectroscopic measurements of hectorite pastes.« less

Leaching of Zinc Sulfide by Thiobacillus ferrooxidans: Bacterial Oxidation of the Sulfur Product Layer Increases the Rate of Zinc Sulfide Dissolution at High Concentrations of Ferrous Ions

PubMed Central

Fowler, T. A.; Crundwell, F. K.

1999-01-01

This paper reports the results of leaching experiments conducted with and without Thiobacillus ferrooxidans at the same conditions in solution. The extent of leaching of ZnS with bacteria is significantly higher than that without bacteria at high concentrations of ferrous ions. A porous layer of elemental sulfur is present on the surfaces of the chemically leached particles, while no sulfur is present on the surfaces of the bacterially leached particles. The analysis of the data using the shrinking-core model shows that the chemical leaching of ZnS is limited by the diffusion of ferrous ions through the sulfur product layer at high concentrations of ferrous ions. The analysis of the data shows that diffusion through the product layer does not limit the rate of dissolution when bacteria are present. This suggests that the action of T. ferrooxidans in oxidizing the sulfur formed on the particle surface is to remove the barrier to diffusion by ferrous ions. PMID:10583978

Ion Exchange Method - Diffusion Barrier Investigations

NASA Astrophysics Data System (ADS)

Pielak, G.; Szustakowski, M.; Kiezun, A.

1990-01-01

Ion exchange method is used to GRIN-rod lenses manufacturing. In this process the ion exchange occurs between bulk glass (rod) and a molten salt. It was find that diffusion barrier exists on a border of glass surface and molten salt. The investigations of this barrier show that it value varies with ion exchange time and process temperature. It was find that in the case when thalium glass rod was treated in KNO3, bath, the minimum of the potential after 24 h was in temperature of 407°C, after 48 h in 422°C, after 72 h in 438°C and so on. So there are the possibility to keep the minimum of diffusion barrier by changing the temperature of the process and then the effectiveness of ion exchange process is the most effective. The time needed to obtain suitable refractive index distribution in a process when temperature was linearly changed from 400°C to 460°C was shorter of about 30% compare with the process in which temperature was constant and equal 450°C.

Modeling packed bed sorbent systems with the Pore Surface Diffusion Model: Evidence of facilitated surface diffusion of arsenate in nano-metal (hydr)oxide hybrid ion exchange media.

PubMed

Dale, Sachie; Markovski, Jasmina; Hristovski, Kiril D

2016-09-01

This study explores the possibility of employing the Pore Surface Diffusion Model (PSDM) to predict the arsenic breakthrough curve of a packed bed system operated under continuous flow conditions with realistic groundwater, and consequently minimize the need to conduct pilot scale tests. To provide the nano-metal (hydr)oxide hybrid ion exchange media's performance in realistic water matrices without engaging in taxing pilot scale testing, the multi-point equilibrium batch sorption tests under pseudo-equilibrium conditions were performed; arsenate breakthrough curve of short bed column (SBC) was predicted by the PSDM in the continuous flow experiments; SBC tests were conducted under the same conditions to validate the model. The overlapping Freundlich isotherms suggested that the water matrix and competing ions did not have any denoting effect on sorption capacity of the media when the matrix was changed from arsenic-only model water to real groundwater. As expected, the PSDM provided a relatively good prediction of the breakthrough profile for arsenic-only model water limited by intraparticle mass transports. In contrast, the groundwater breakthrough curve demonstrated significantly faster intraparticle mass transport suggesting to a surface diffusion process, which occurs in parallel to the pore diffusion. A simple selection of DS=1/2 DP appears to be sufficient when describing the facilitated surface diffusion of arsenate inside metal (hydr)oxide nano-enabled hybrid ion-exchange media in presence of sulfate, however, quantification of the factors determining the surface diffusion coefficient's magnitude under different treatment scenarios remained unexplored. Copyright © 2015 Elsevier B.V. All rights reserved.

Understanding molecular structure dependence of exciton diffusion in conjugated small molecules

NASA Astrophysics Data System (ADS)

Li, Zi; Zhang, Xu; Woellner, Cristiano F.; Lu, Gang

2014-04-01

First-principles simulations are carried out to understand molecular structure dependence of exciton diffusion in a series of small conjugated molecules arranged in a disordered, crystalline, and blend structure. Exciton diffusion length (LD), lifetime, and diffusivity in four diketopyrrolopyrrole derivatives are calculated and the results compare very well with experimental values. The correlation between exciton diffusion and molecular structure is examined in detail. In the disordered molecule structure, a longer backbone length leads to a shorter exciton lifetime and a higher exciton diffusivity, but it does not change LD substantially. Removal of the end alkyl chains or the extra branch on the side alkyl chains reduces LD. In the crystalline structure, exciton diffusion exhibits a strong anisotropy whose origin can be elucidated from the intermolecular transition density interaction point of view. In the blend structure, LD increases with the crystalline ratios, which are estimated and consistent with the experimental results.

Back-diffusion plasma generator for ionosphere study

NASA Astrophysics Data System (ADS)

Fang, H. K.; Oyama, K.-I.; Chen, A. B.

2017-11-01

To produce ionospheric plasma environments at ground level is essential to get information not only for the development of CubeSat-class spacecraft but also for the design of ionospheric plasma instruments and to confirm their performance. In this paper, we describe the principle of plasma generation and characteristics of the back-diffusion plasma source, which can produce in-lab plasma similar to the Earth’s ionosphere, E and F regions, conditions of electron and ion temperature and density. The ion and electron energy distributions of the plasma generated by a back-diffusion source are measured by means of a cleaned Langmuir probe and gridded particle energy analyzers. The ion motion in front of the source is investigated by a hard-sphere collision model in SIMION software and the simulation results are comparable with the findings of our experiment. Furthermore, plasma densities and ion temperatures at different positions in front of the source are also demonstrated. The back-diffusion source has been accommodated for ionospheric plasma productions in several Asian institutes. The plasma characteristics of the source shown in this paper will benefit space research groups in the development of space plasma instruments.

Determination of the zincate diffusion coefficient and its application to alkaline battery problems

NASA Technical Reports Server (NTRS)

May, C. E.; Kautz, Harold E.

1978-01-01

The diffusion coefficient for the zincate ion at 24 C was found to be 9.9 X 10 to the minus 7th power squared cm per sec + or - 30 percent in 45 percent potassium hydroxide and 1.4 x 10 to the minus 7 squared cm per sec + or - 25 percent in 40 percent sodium hydroxide. Comparison of these values with literature values at different potassium hydroxide concentrations show that the Stokes-Einstein equation is obeyed. The diffusion coefficient is characteristic of the zincate ion (not the cation) and independent of its concentration. Calculations with the measured value of the diffusion coefficient show that the zinc concentration in an alkaline zincate half cell becomes uniform throughout in tens of hours by diffusion alone. Diffusion equations are derived which are applicable to finite size chambers. Details and discussion of the experimental method are also given.

Determination of the zincate diffusion coefficient and its application to alkaline battery problems

NASA Technical Reports Server (NTRS)

May, C. E.; Kautz, H. E.

1978-01-01

The diffusion coefficient for the zincate ion at 24 C was found to be 9.9 x 10 to the -7th power sq cm/sec + or - 30% in 45% potassium hydroxide and 1.4 x 10 to the -7th power sq cm/sec + or - 25% in 40% sodium hydroxide. Comparison of these values with literature values at different potassium hydroxide concentrations show that the Stokes-Einstein equation is obeyed. The diffusion coefficient is characteristic of the zincate ion (not the cation) and independent of its concentration. Calculations with the measured value of the diffusion coefficient show that the zinc concentration in an alkaline zincate half-cell becomes uniform throughout in tens of hours by diffusion alone. Diffusion equations are derived which are applicable to finite-size chambers. Details and discussion of the experimental method are also given.

Diffusion in Coulomb crystals.

PubMed

Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K

2011-07-01

Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.

Ion radial diffusion in an electrostatic impulse model for stormtime ring current formation

NASA Technical Reports Server (NTRS)

Chen, Margaret W.; Schulz, Michael; Lyons, Larry R.; Gorney, David J.

1992-01-01

Two refinements to the quasi-linear theory of ion radial diffusion are proposed and examined analytically with simulations of particle trajectories. The resonance-broadening correction by Dungey (1965) is applied to the quasi-linear diffusion theory by Faelthammar (1965) for an individual model storm. Quasi-linear theory is then applied to the mean diffusion coefficients resulting from simulations of particle trajectories in 20 model storms. The correction for drift-resonance broadening results in quasi-linear diffusion coefficients with discrepancies from the corresponding simulated values that are reduced by a factor of about 3. Further reductions in the discrepancies are noted following the averaging of the quasi-linear diffusion coefficients, the simulated coefficients, and the resonance-broadened coefficients for the 20 storms. Quasi-linear theory provides good descriptions of particle transport for a single storm but performs even better in conjunction with the present ensemble-averaging.

Ion Thermal Decoupling and Species Separation in Shock-Driven Implosions

DOE PAGES

Rinderknecht, Hans G.; Rosenberg, M. J.; Li, C. K.; ...

2015-01-14

Here, anomalous reduction of the fusion yields by 50% and anomalous scaling of the burn-averaged ion temperatures with the ion-species fraction has been observed for the first time in D 3He-filled shock-driven inertial confinement fusion implosions. Two ion kinetic mechanisms are used to explain the anomalous observations: thermal decoupling of the D and 3He populations and diffusive species separation. The observed insensitivity of ion temperature to a varying deuterium fraction is shown to be a signature of ion thermal decoupling in shock-heated plasmas. The burn-averaged deuterium fraction calculated from the experimental data demonstrates a reduction in the average core deuteriummore » density, as predicted by simulations that use a diffusion model. Accounting for each of these effects in simulations reproduces the observed yield trends.« less

Induced-Charge Enhancement of the Diffusion Potential in Membranes with Polarizable Nanopores

NASA Astrophysics Data System (ADS)

Ryzhkov, I. I.; Lebedev, D. V.; Solodovnichenko, V. S.; Shiverskiy, A. V.; Simunin, M. M.

2017-12-01

When a charged membrane separates two salt solutions of different concentrations, a potential difference appears due to interfacial Donnan equilibrium and the diffusion junction. Here, we report a new mechanism for the generation of a membrane potential in polarizable conductive membranes via an induced surface charge. It results from an electric field generated by the diffusion of ions with different mobilities. For uncharged membranes, this effect strongly enhances the diffusion potential and makes it highly sensitive to the ion mobilities ratio, electrolyte concentration, and pore size. Theoretical predictions on the basis of the space-charge model extended to polarizable nanopores fully agree with experimental measurements in KCl and NaCl aqueous solutions.

High-power diffusing-tip fibers for interstitial photocoagulation

NASA Astrophysics Data System (ADS)

Sinofsky, Edward L.; Farr, Norman; Baxter, Lincoln; Weiler, William

1997-05-01

A line of optical fiber based diffusing tips has been designed, developed, and tested that are capable of distributing tens of watts of cw laser power over lengths ranging from two millimeters to over 10 cm. The result is a flexible non-stick diffuser capable of coagulating large volumes of tissue in reasonably short exposures of 3 - 5 minutes. Sub-millimeter diameter devices have a distinct effect on reducing the force needed to insert the applicator interstitially into tissue. Utilizing our design approach, we have produced diffusers based on 200 micrometer core fiber that has delivered over 35 watts of Nd:YAG energy over diffusion lengths as short as 4 mm. These applicators are being tested for applications in oncology, cardiology, electrophysiology, urology and gynecology.

From synthetic montroseite VOOH to topochemical paramontroseite VO2 and their applications in aqueous lithium ion batteries.

PubMed

Xu, Yang; Zheng, Lei; Xie, Yi

2010-11-28

Synthetic montroseite VOOH has been successfully prepared via a simple template-free hydrothermal route on a large scale for the first time-after sixty years of delay. The as-obtained sample shows a hierarchical morphology of urchin-like nanoarchitecture with hollow interiors consisting of well-crystalline nanorods standing vertically on the shell surface. Time-dependent experiments illustrated that these hierarchical hollow nanourchins were formed through the hydrolysis-driven Kirkendall effect coupled with a new-phased vanadium oxyhydroxide V(10)O(14)(OH)(2) precursor templated approach. Meanwhile, the as-obtained VOOH hollow nanourchins could convert topochemically to paramontroseite VO(2) without altering the size and original appearance during the annealing process due to the extreme structural similarity revealed by crystal structure analysis. Furthermore, the improved electrochemical performance of both montroseite VOOH and paramontroseite VO(2) hierarchical hollow structures toward Li uptake and release verifies their potential applications as anode materials in aqueous lithium ion batteries. These improved electrochemical properties could be ascribed to the synergetic effect of the microscopic tunneled crystal structure and macroscopic hollow morphological features, which provide the easy infiltration of electrolyte, short diffusion lengths for lithium ions and electron transport as well as sufficient void space to buffer the volume change.

Scalable synthesis of NiMoO4 microspheres with numerous empty nanovoids as an advanced anode material for Li-ion batteries

NASA Astrophysics Data System (ADS)

Park, Jin-Sung; Cho, Jung Sang; Kang, Yun Chan

2018-03-01

Closely in line with advances in next-generation energy storage materials, anode materials for lithium-ion batteries (LIBs) with high capacity and long cycle life have been widely explored. As part of the current effort, nickel molybdate (NiMoO4) microspheres with empty nanovoids are synthesized via spray drying process and subsequent one-step calcination in air. Dextrin in the atomized droplet is phase segregated during the spray drying process and calcined in air atmosphere, resulting in numerous empty nanovoids well-distributed within a microsphere. The empty nanovoids alleviate volume expansion during cycling, shorten lithium-ion diffusion length, and facilitate contact between electrode and electrolyte materials. Along with the high discharge capacity of NiMoO4 material, as high as 1240 mA h g-1 for the 2nd cycle at a high current density of 1 A g-1, uniquity of the structure enables longer cycle life and higher quality performances. The discharge capacity corresponding to the 500th cycle is 1020 mA h g-1 and the capacity retention calculated from the 2nd cycle is 82%. In addition, a discharge capacity of 413 mA g-1 is obtained at an extremely high current density of 10 A g-1.

Rational design of hierarchical ZnO@Carbon nanoflower for high performance lithium ion battery anodes

NASA Astrophysics Data System (ADS)

liu, Huichao; Shi, Ludi; Li, Dongzhi; Yu, Jiali; Zhang, Han-Ming; Ullah, Shahid; Yang, Bo; Li, Cuihua; Zhu, Caizhen; Xu, Jian

2018-05-01

The rational structure design and strong interfacial bonding are crucially desired for high performance zinc oxide (ZnO)/carbon composite electrodes. In this context, micro-nano secondary structure design and strong dopamine coating strategies are adopted for the fabrication of flower-like ZnO/carbon (ZnO@C nanoflowers) composite electrodes. The results show the ZnO@C nanoflowers (2-6 μm) are assembled by hierarchical ZnO nanosheets (∼27 nm) and continuous carbon framework. The micro-nano secondary architecture can facilitate the penetration of electrolyte, shorten lithium ions diffusion length, and hinder the aggregation of the nanosheets. Moreover, the strong chemical interaction between ZnO and coating carbon layer via C-Zn bond improves structure stability as well as the electronic conductivity. As a synergistic result, when evaluated as lithium ion batteries (LIBs) anode, the ZnO@C nanoflower electrodes show high reversible capacity of ca. 1200 mA h g-1 at 0.1 A g-1 after 80 cycles. As well as good long-cycling stability (638 and 420 mA h g-1 at 1 and 5 A g-1 after 500 cycles, respectively) and excellent rate capability. Therefore, this rational design of ZnO@C nanoflowers electrode is a promising anode for high-performance LIBs.

Observations of Ion Diffusion Regions in the Geomagnetic Tail

NASA Astrophysics Data System (ADS)

Rogers, A. J.; Farrugia, C. J.; Torbert, R. B.; Argall, M. R.; Strangeway, R. J.; Ergun, R.

2017-12-01

We present analysis of two Ion Diffusion Regions (IDRs) in the geomagnetic tail, as observed by the Magnetospheric Multiscale Mission (MMS). Analysis of each event is centered around discussion of parameters commonly associated with IDRs such as enhanced electric field magnitude, guiding center expansion parameter, and ion velocity. Characteristic values for these parameters are determined, as well as other common attributes of IDRs, and used to develop a searching algorithm to automate identification of possible IDRs for closer inspection. Preliminary results of applying this algorithm to in situ MMS observations are also presented

Oxygen-vacancy behavior in La2-xSrxCuO4-y by positron annihilation and oxygen diffusion

NASA Astrophysics Data System (ADS)

Smedskjaer, L. C.; Routbort, J. L.; Flandermeyer, B. K.; Rothman, S. J.; Legnini, D. G.; Baker, J. E.

1987-09-01

Oxygen-diffusion and positron-annihilation results for La2-xSrxCuO4-y compounds are reported. A qualitative explanation of the observed results is given on the basis of a model in which the oxygen-vacancy concentration in La2-xSrxCuO4-y is determined by Sr2+ ion clustering on the La sublattice. This model also leads to a maximum in the Cu3+ ion concentration as a function of the Sr2+ ion concentration.

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

NASA Astrophysics Data System (ADS)

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

2016-12-01

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

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.

Bioinspired Carbon/SnO2 Composite Anodes Prepared from a Photonic Hierarchical Structure for Lithium Batteries.

PubMed

Li, Yao; Meng, Qing; Ma, Jun; Zhu, Chengling; Cui, Jingru; Chen, Zhixin; Guo, Zaiping; Zhang, Tao; Zhu, Shenmin; Zhang, Di

2015-06-03

A carbon/SnO2 composite (C-SnO2) with hierarchical photonic structure was fabricated from the templates of butterfly wings. We have investigated for the first time its application as the anode material for lithium-ion batteries. It was demonstrated to have high reversible capacities, good cycling stability, and excellent high-rate discharge performance, as shown by a capacitance of ∼572 mAh g(-1) after 100 cycles, 4.18 times that of commercial SnO2 powder (137 mAh g(-1)); a far better recovery capability of 94.3% was observed after a step-increase and sudden-recovery current. An obvious synergistic effect was found between the porous, hierarchically photonic microstructure and the presence of carbon; the synergy guarantees an effective flow of electrolyte and a short diffusion length of lithium ions, provides considerable buffering room, and prevents aggregation of SnO2 particles in the discharge/charge processes. This nature-inspired strategy points out a new direction for the fabrication of alternative anode materials.

Ordered Mesoporous Titania/Carbon Hybrid Monoliths for Lithium-ion Battery Anodes with High Areal and Volumetric Capacity.

PubMed

Dörr, Tobias S; Fleischmann, Simon; Zeiger, Marco; Grobelsek, Ingrid; de Oliveira, Peter W; Presser, Volker

2018-04-25

Free-standing, binder-free, and conductive additive-free mesoporous titanium dioxide/carbon hybrid electrodes were prepared from co-assembly of a poly(isoprene)-block-poly(styrene)-block-poly(ethylene oxide) block copolymer and a titanium alkoxide. By tailoring an optimized morphology, we prepared macroscopic mechanically stable 300 μm thick monoliths that were directly employed as lithium-ion battery electrodes. High areal mass loading of up to 26.4 mg cm -2 and a high bulk density of 0.88 g cm -3 were obtained. This resulted in a highly increased volumetric capacity of 155 mAh cm -3 , compared to cast thin film electrodes. Further, the areal capacity of 4.5 mAh cm -2 represented a 9-fold increase compared to conventionally cast electrodes. These attractive performance metrics are related to the superior electrolyte transport and shortened diffusion lengths provided by the interconnected mesoporous nature of the monolith material, assuring superior rate handling, even at high cycling rates. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

In situ SEM Study of Lithium Intercalation in individual V 2O 5 Nanowires

DOE PAGES

Strelcov, Evgheni; Cothren, Joshua E.; Leonard, Donovan N.; ...

2015-01-08

Progress in rational engineering of Li-ion batteries requires better understanding of the electrochemical processes and accompanying transformations in the electrode materials on multiple length scales. In spite of recent progress in utilizing transmission electron microscopy (TEM) to analyze these materials, in situ scanning electron microscopy (SEM) was mostly overlooked as a powerful tool that allows probing these phenomena on the nano and mesoscale. In this paper, we report on in situ SEM study of lithiation in a V 2O 5-based single-nanobelt battery with ionic liquid electrolyte. Coupled with cyclic voltammetry measurements, in situ SEM revealed the peculiarities of subsurface intercalation,more » formation of solid-electrolyte interface (SEI) and electromigration of liquid. We observed that single-crystalline vanadia nanobelts do not undergo large-scale amorphization or fracture during electrochemical cycling, but rather transform topochemically with only a slight shape distortion. Lastly, the SEI layer seems to have significant influence on the lithium ion diffusion and overall capacity of the single-nanobelt battery.« less

Diffusion and scaling during early embryonic pattern formation.

PubMed

Gregor, Thomas; Bialek, William; de Ruyter van Steveninck, Rob R; Tank, David W; Wieschaus, Eric F

2005-12-20

Development of spatial patterns in multicellular organisms depends on gradients in the concentration of signaling molecules that control gene expression. In the Drosophila embryo, Bicoid (Bcd) morphogen controls cell fate along 70% of the anteroposterior axis but is translated from mRNA localized at the anterior pole. Gradients of Bcd and other morphogens are thought to arise through diffusion, but this basic assumption has never been rigorously tested in living embryos. Furthermore, because diffusion sets a relationship between length and time scales, it is hard to see how patterns of gene expression established by diffusion would scale proportionately as egg size changes during evolution. Here, we show that the motion of inert molecules through the embryo is well described by the diffusion equation on the relevant length and time scales, and that effective diffusion constants are essentially the same in closely related dipteran species with embryos of very different size. Nonetheless, patterns of gene expression in these different species scale with egg length. We show that this scaling can be traced back to scaling of the Bcd gradient itself. Our results, together with constraints imposed by the time scales of development, suggest that the mechanism for scaling is a species-specific adaptation of the Bcd lifetime.

Grain growth and significant Fe diffusion in polycrystalline ZnS at elevated temperatures and pressures

NASA Astrophysics Data System (ADS)

Gafarov, Ozarfar; Martyshkin, Dmitriy; Fedorov, Vladimir; Mirov, Sergey

2018-02-01

Middle-infrared (mid-IR) lasers enabling a wide range of scientific, medical, technological, and defense related applications continue to enjoy a strong demand. Transition metal (TM) doped II-VI chalcogenides are appealing mid-IR gain medial providing direct access to 1.8-6 μm spectral range. . II-VI chalcogenides are available in single crystal and in polycrystalline forms. With respect to single crystals, polycrystalline gain elements fabricated by postgrowth thermal diffusion of TM impurities in II-VI hosts feature better optical quality and enable superior laser characteristics. Despite significant progress in post-growth thermal diffusion technology, there are still some difficulties associated with the diffusion of certain TM ions in certain II-VI hosts. Specifically, the diffusion length Fe in ZnS during 1 month annealing at 950°C is of the order of 0.1 mm. In this work, enhancement of diffusion coefficient under Hot Isostatic Pressing, at temperature and pressure of 1350°C and 2000 atm, and effect of these extreme conditions on the overall optical quality of the crystal were studied. The high temperature was applied to increase the diffusion rate, and the high pressure was needed to suppress strong sublimation and sphalerite - wurtzite phase transition at elevated temperatures. Under these conditions, the diffusion coefficient Fe in ZnS was enhanced by 5500 times as compared to standard diffusion processes carried out at 950°C. It was also demonstrated that the grain size had grown from 30μm to 5.5mm, which is believed to be another reason for efficient diffusion besides the elevation of temperature. The XRD patterns were measured such that the X-ray beam falls on a single grain. The XRD patterns showed only peaks characteristic to single crystals with zinc blende structure. Lasing characterization was performed to investigate the optical quality of the crystal. Slope efficiencies of 23.2% and 15.4% were obtained for TM11 and TM00 modes of operation, respectively. The emission of the laser was demonstrated to be in the 3840-3920 nm.

The reduction mechanism of a natural chromite at 1416 °C

NASA Astrophysics Data System (ADS)

Soykan, O.; Eric, R. H.; King, R. P.

1991-02-01

The behavior of a natural chromite from the Bushveld Complex, Transvaal, South Africa, during reduction at 1416 °C by graphite was studied by means of thermogravimetric analysis, X-ray diffraction (XRD) analysis, energy-dispersive X-ray analysis (EDAX), and metallographic analysis. Experimental runs were allowed to proceed up to 120 minutes, resulting in 99 pct reduction. The specific objective of this study was to delineate the reduction mechanism of chromite by graphite. Zoning was observed in partially reduced chromites with degrees of reduction of up to about 70 pct. The inner cores were rich in iron, while the outer cores were depleted of iron. Energy-dispersive X-ray analysis revealed that Fe2+ and Cr3+ ions had diffused outward, whereas Cr2+, Al3+, and Mg2+ ions had diffused inward. The following mechanism of reduction, which is based on the assumption that the composition of the spinel phase remains stoichiometric with increasing degree of reduction, is proposed, (a) Initially, Fe3+ and Fe2+ ions at the surface of the chromite particle are reduced to the metallic state. This is followed immediately by the reduction of Cr3+ ions to the divalent state, (b) Cr2+ ions diffusing toward the center of the particle reduce the Fe3+ ions in the spinel under the surface of the particle to Fe2+ at the interface between the inner and outer cores. Fe2+ ions diffuse toward the surface, where they are reduced to metallic iron, (c) After the iron has been completely reduced, Cr3+ and any Cr2+ that is present are reduced to the metallic state, leaving an iron- and chromium-free spinel, MgAl2O4.

Exciton diffusion in WSe2 monolayers embedded in a van der Waals heterostructure

NASA Astrophysics Data System (ADS)

Cadiz, F.; Robert, C.; Courtade, E.; Manca, M.; Martinelli, L.; Taniguchi, T.; Watanabe, K.; Amand, T.; Rowe, A. C. H.; Paget, D.; Urbaszek, B.; Marie, X.

2018-04-01

We have combined spatially resolved steady-state micro-photoluminescence with time-resolved photoluminescence to investigate the exciton diffusion in a WSe2 monolayer encapsulated with hexagonal boron nitride. At 300 K, we extract an exciton diffusion length of LX = 0.36 ± 0.02 μm and an exciton diffusion coefficient of DX = 14.5 ± 2 cm2/s. This represents a nearly 10-fold increase in the effective mobility of excitons with respect to several previously reported values on nonencapsulated samples. At cryogenic temperatures, the high optical quality of these samples has allowed us to discriminate the diffusion of the different exciton species: bright and dark neutral excitons, as well as charged excitons. The longer lifetime of dark neutral excitons yields a larger diffusion length of LXD=1.5 ±0.02 μ m.

Lithium Polymer Electrolytes Based On PMMA / PEG And Penetrant Diffusion In Kraton Penta-Block Ionomer

NASA Astrophysics Data System (ADS)

Meng, Yan

The study of diffusion in polymeric material is critical to many research fields and applications, such as polymer morphology, protective coatings (paints and varnishes), separation membranes, transport phenomena, polymer electrolytes, polymer melt, and controlled release of drugs from polymer carriers [1-9]. However, it is still a challenge to understand, predict and control the diffusion of molecules and ions of different sizes in polymers [2]. This work studied the medium to long range diffusion of species (i.e., ions and molecules) in solid polymer electrolytes based on poly(ethylene glycol)/poly(methyl methacrylate) (PEG/PMMA) for Li-based batteries, and polymeric permselective membranes via pulsed-field gradient NMR and a.c. impedance. Over the past decades polymer electrolytes have attracted much attention because of their promising technological application as an ion-conducting medium in solid-state batteries, fuel cells, electrochromic displays, and chemical sensors [10, 11]. However, despite numerous studies related to ionic transport in these electrolytes the understanding of the migration mechanism is still far from being complete, and progress in the field remains largely empirical [10, 12-15]. Among various candidates for solid polymer electrolyte (SPE) material, the miscible polymer pair, poly(ethylene oxide)/poly(methyl methacrylate) (PEO/PMMA), is an attractive one, because there is a huge difference in mobility between PEO and PMMA in their blends, and PEO chains remain exceptionally mobile in the blend even at temperature below the glass transition temperature of the blend [ 16]. Thus the mechanical strength and dimensional stability is maintained by PMMA component, while the chain motions or rearrangements of the PEO component virtually contribute to the ion transport [17]. The current work prepared two types of SPE based on poly(ethylene glycol) (PEG) /PMMA (40/60 by weight) for Li-based batteries: lithium bis(trifluoromethylsulfonylimide) (LiN(SO2CF3)2, LiTFSI) doped SPE and single-ion SPE. PEG, which is the very low molecular weight version of PEO, was used instead of PLO due to PEG's advantages of being noncrystalline, higher mobility, and having relatively high ionic conductivity when doped with alkali metal salts [18]. The medium to long range diffusion of species (i.e., ions and molecules) were studied via pulsed-field gradient NMR and a.c. impedance, along with other properties. For the LiTFSI doped system, the samples are named with their F0 to Li ratios. The order of diffusivity of ions is 16:1> 24:1> 8:1, while the order of a.c. conductivity is 24:1 > 16:1> 8:1. The largest diffusion 7Li coefficient is 1.4 x 108 cm 2/s in 16:1 at 77°C , and the largest a.c. conductivity is 1.43x 10-5S/cm for 24:1 at 68°C. The discrepancy between the diffusivity order and conductivity order is attributed to the formation of neutral contact ion pairs by a substantial fraction of ions in 16:1 . As the salt concentration is increased as 24:1→16:1→8:1, there is the transition of mostly free ions (i.e., 24:1)→free ions+contact ion pairs (i.e.. 16:1)→free ions+contact ion pairs+higher aggregates (i.e., 8:1). For the single-ion system, ion pairing of lithium PMMA ionomer is a serious problem due to the relatively low acidity of its corresponding acid and the low dielectric constant of the solvent (i.e. PEG). The Li+ diffusivity is fair (on the order of 10-8 cm2/s at 65°C, 77°C, and 89°C), but the fraction of free Li+ is only 1-2%. This severely limits the resulting a.c. conductivity, which is 2.72x 10-7 S/cm for 40P600 at 81°C. The second project involves studying the transport properties of a sulfonated pentablock copolymer, poly(para-methylstyrene)--b-hydrogenated polybutadiene-b-polystyrene-bhydrogenated polybutadiene - b-poly(para-methylstyrene) with polystyrene sulfonated in the midblock(PMS-HPB-sS-HPB-PMS), as pemrselective membranes for protective clothing, with high permeability to water and low permeability to hazardous organic chemicals. In addition, this work also contributes to study of polymer electrolyte membrane for fuel cell systems, because water transport in polymer electrolyte membranes (PEMs) has a profound effect on the performance of a fuel cell, yet is surprisingly the least studied property of PEMs[19]. The self-diffusion coefficients of different penetrant molecules, i.e., water, dimethyl methylphosphonate (DMMP), and ethanol in the said ionomer were accurately measured with PFG NMR as functions of temperature and concentration of solvents. Water exhibited self-diffusion coefficients two orders of magnitude higher than DMMP, while ethanol lies in between. Their effective volume to surface ratios of domains where diffusion took place were determined. The volume to surface ratios of water and DMMP are quite different, suggesting they may have different local geometry of the pores they reside in, while the V p/Seff ratios for water and ethanol are similar, thereby suggesting similar local environments of these solvents in the ionomer.

Exciton diffusion in disordered small molecules for organic photovoltaics: insights from first-principles simulations.

PubMed

Li, Z; Zhang, X; Lu, G

2014-05-07

Exciton diffusion in small molecules 3,6-bis(5-(benzofuran-2-yl)thiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4-dione [DPP(TBFu)2] is studied using first-principles simulations. We have examined dependence of exciton diffusion on structure disorder, temperature and exciton energy. We find that exciton diffusion length and diffusivity increase with structural order, temperature and the initial exciton energy. Compared to conjugated polymer poly(3-hexylthiophene) (P3HT), DPP(TBFu)2 small molecules exhibit a much higher exciton diffusivity, but a shorter lifetime. The exciton diffusion length in DPP(TBFu)2 is 50% longer than that in P3HT, yielding a higher exciton harvesting efficiency; the physical origin behind these differences is discussed. The time evolutions of exciton energy, electron-hole distance, and exciton localization are explored, and the widely speculated exciton diffusion mechanism is confirmed theoretically. The connection between exciton diffusion and carrier mobilities is also studied. Finally we point out the possibility to estimate exciton diffusivity by measuring carrier mobilities under AC electric fields.

First-principles investigation of diffusion and defect properties of Fe and Ni in Cr2O3

NASA Astrophysics Data System (ADS)

Rak, Zs.; Brenner, D. W.

2018-04-01

Diffusion of Fe and Ni and the energetics of Fe- and Ni-related defects in chromium oxide (α-Cr2O3) are investigated using first-principles Density Functional Theory calculations in combination with the climbing-image nudged elastic band method. The orientations of the spin magnetic moments of the migrating ions are taken into account and their effects on migration barriers are examined. Several possible diffusion pathways were explored through interstitial and vacancy mechanisms, and it was found that the principal mode of ion transport in Cr2O3 is via vacancies. Both interstitial- and vacancy-mediated diffusions are anisotropic, with diffusion being faster in the z-direction. The energetics of defect formation indicates that the Ni-related defects are less stable than the Fe-related ones. This is consistent with Ni-diffusion being faster than Fe-diffusion. The results are compared with previous theoretical and experimental data and possible implications in corrosion control are discussed.

Electron magnetic reconnection without ion coupling in Earth's turbulent magnetosheath

NASA Astrophysics Data System (ADS)

Phan, T. D.; Eastwood, J. P.; Shay, M. A.; Drake, J. F.; Sonnerup, B. U. Ö.; Fujimoto, M.; Cassak, P. A.; Øieroset, M.; Burch, J. L.; Torbert, R. B.; Rager, A. C.; Dorelli, J. C.; Gershman, D. J.; Pollock, C.; Pyakurel, P. S.; Haggerty, C. C.; Khotyaintsev, Y.; Lavraud, B.; Saito, Y.; Oka, M.; Ergun, R. E.; Retino, A.; Le Contel, O.; Argall, M. R.; Giles, B. L.; Moore, T. E.; Wilder, F. D.; Strangeway, R. J.; Russell, C. T.; Lindqvist, P. A.; Magnes, W.

2018-05-01

Magnetic reconnection in current sheets is a magnetic-to-particle energy conversion process that is fundamental to many space and laboratory plasma systems. In the standard model of reconnection, this process occurs in a minuscule electron-scale diffusion region1,2. On larger scales, ions couple to the newly reconnected magnetic-field lines and are ejected away from the diffusion region in the form of bi-directional ion jets at the ion Alfvén speed3-5. Much of the energy conversion occurs in spatially extended ion exhausts downstream of the diffusion region6. In turbulent plasmas, which contain a large number of small-scale current sheets, reconnection has long been suggested to have a major role in the dissipation of turbulent energy at kinetic scales7-11. However, evidence for reconnection plasma jetting in small-scale turbulent plasmas has so far been lacking. Here we report observations made in Earth's turbulent magnetosheath region (downstream of the bow shock) of an electron-scale current sheet in which diverging bi-directional super-ion-Alfvénic electron jets, parallel electric fields and enhanced magnetic-to-particle energy conversion were detected. Contrary to the standard model of reconnection, the thin reconnecting current sheet was not embedded in a wider ion-scale current layer and no ion jets were detected. Observations of this and other similar, but unidirectional, electron jet events without signatures of ion reconnection reveal a form of reconnection that can drive turbulent energy transfer and dissipation in electron-scale current sheets without ion coupling.

Electron magnetic reconnection without ion coupling in Earth's turbulent magnetosheath.

PubMed

Phan, T D; Eastwood, J P; Shay, M A; Drake, J F; Sonnerup, B U Ö; Fujimoto, M; Cassak, P A; Øieroset, M; Burch, J L; Torbert, R B; Rager, A C; Dorelli, J C; Gershman, D J; Pollock, C; Pyakurel, P S; Haggerty, C C; Khotyaintsev, Y; Lavraud, B; Saito, Y; Oka, M; Ergun, R E; Retino, A; Le Contel, O; Argall, M R; Giles, B L; Moore, T E; Wilder, F D; Strangeway, R J; Russell, C T; Lindqvist, P A; Magnes, W

2018-05-01

Magnetic reconnection in current sheets is a magnetic-to-particle energy conversion process that is fundamental to many space and laboratory plasma systems. In the standard model of reconnection, this process occurs in a minuscule electron-scale diffusion region 1,2 . On larger scales, ions couple to the newly reconnected magnetic-field lines and are ejected away from the diffusion region in the form of bi-directional ion jets at the ion Alfvén speed 3-5 . Much of the energy conversion occurs in spatially extended ion exhausts downstream of the diffusion region 6 . In turbulent plasmas, which contain a large number of small-scale current sheets, reconnection has long been suggested to have a major role in the dissipation of turbulent energy at kinetic scales 7-11 . However, evidence for reconnection plasma jetting in small-scale turbulent plasmas has so far been lacking. Here we report observations made in Earth's turbulent magnetosheath region (downstream of the bow shock) of an electron-scale current sheet in which diverging bi-directional super-ion-Alfvénic electron jets, parallel electric fields and enhanced magnetic-to-particle energy conversion were detected. Contrary to the standard model of reconnection, the thin reconnecting current sheet was not embedded in a wider ion-scale current layer and no ion jets were detected. Observations of this and other similar, but unidirectional, electron jet events without signatures of ion reconnection reveal a form of reconnection that can drive turbulent energy transfer and dissipation in electron-scale current sheets without ion coupling.

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

Ion plating technique improves thin film deposition

NASA Technical Reports Server (NTRS)

Mattox, D. M.

1968-01-01

Ion plating technique keeps the substrate surface clean until the film is deposited, allows extensive diffusion and chemical reaction, and joins insoluble or incompatible materials. The technique involves the deposition of ions on the substrate surface while it is being bombarded with inert gas ions.

Turbulent resistivity, diffusion and heating

NASA Technical Reports Server (NTRS)

Fried, B. D.; Kennel, C. F.; Mackenzie, K.; Coroniti, F. V.; Kindel, J. M.; Stenzel, R.; Taylor, R. J.; White, R.; Wong, A. Y.; Bernstein, W.

1971-01-01

Experimental and theoretical studies are reported on ion acoustic and ion cyclotron turbulence and their roles in anomalous resistivity, viscosity, diffusion and heating and in the structure of collisionless electrostatic shocks. Resistance due to ion acoustic turbulence has been observed in experiments with a streaming cesium plasma in which electron current, potential rise due to turbulent resistivity, spectrum of unstable ion acoustic waves, and associated electron heating were all measured directly. Kinetic theory calculations for an expanding, unstable plasma, give results in agreement with the experiment. In a strong magnetic field, with T sub e/T sub i approximately 1 and current densities typical for present Tokomaks, the plasma is stable to ion acoustic but unstable to current driven electrostatic ion cyclotron waves. Relevant characteristics of these waves are calculated and it is shown that for ion, beta greater than m sub e/m sub i, the electromagnetic ion cyclotron wave has a lower instability threshold than the electrostatic one. However, when ion acoustic turbulence is present experiments with double plasma devices show rapid anomalous heating of an ion beam streaming through a plasma.

The effects of intragrain defects on the local photoresponse of polycrystalline silicon solar cells

NASA Astrophysics Data System (ADS)

Inoue, N.; Wilmsen, C. W.; Jones, K. A.

1981-02-01

Intragrain defects in Wacker cast and Monsanto zone-refined polycrystalline silicon materials were investigated using the electron-beam-induced current (EBIC) technique. The EBIC response maps were compared with etch pit, local diffusion length and local photoresponse measurements. It was determined that the Wacker polycrystalline silicon has a much lower density of defects than does the Monsanto polycrystalline silicon and that most of the defects in the Wacker material are not active recombination sites. A correlation was found between the recombination site density, as determined by EBIC, and the local diffusion length. It is shown that a large density of intragrain recombination sites greatly reduces the minority carrier diffusion length and thus can significantly reduce the photoresponse of solar cells.

Enhancement of the Rate Capability of LiFePO4 by a New Highly Graphitic Carbon-Coating Method.

PubMed

Song, Jianjun; Sun, Bing; Liu, Hao; Ma, Zhipeng; Chen, Zhouhao; Shao, Guangjie; Wang, Guoxiu

2016-06-22

Low lithium ion diffusivity and poor electronic conductivity are two major drawbacks for the wide application of LiFePO4 in high-power lithium ion batteries. In this work, we report a facile and efficient carbon-coating method to prepare LiFePO4/graphitic carbon composites by in situ carbonization of perylene-3,4,9,10-tetracarboxylic dianhydride during calcination. Perylene-3,4,9,10-tetracarboxylic dianhydride containing naphthalene rings can be easily converted to highly graphitic carbon during thermal treatment. The ultrathin layer of highly graphitic carbon coating drastically increased the electronic conductivity of LiFePO4. The short pathway along the [010] direction of LiFePO4 nanoplates could decrease the Li(+) ion diffusion path. In favor of the high electronic conductivity and short lithium ion diffusion distance, the LiFePO4/graphitic carbon composites exhibit an excellent cycling stability at high current rates at room temperature and superior performance at low temperature (-20 °C).

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.

Comparison Between Path Lengths Traveled by Solar Electrons and Ions in Ground-Level Enhancement Events

NASA Technical Reports Server (NTRS)

Tan, Lun C.; Malandraki, Olga E.; Reames, Donald; NG, Chee K.; Wang, Linghua; Patsou, Ioanna; Papaioannou, Athanasios

2013-01-01

We have examined the Wind/3DP/SST electron and Wind/EPACT/LEMT ion data to investigate the path length difference between solar electrons and ions in the ground-level enhancement (GLE) events in solar cycle 23. Assuming that the onset time of metric type II or decameter-hectometric (DH) type III radio bursts is the solar release time of non-relativistic electrons, we have found that within an error range of plus or minus 10% the deduced path length of low-energy (approximately 27 keV) electrons from their release site near the Sun to the 1 AU observer is consistent with the ion path length deduced by Reames from the onset time analysis. In addition, the solar longitude distribution and IMF topology of the GLE events examined are in favor of the coronal mass ejection-driven shock acceleration origin of observed non-relativistic electrons.We have also found an increase of electron path lengths with increasing electron energies. The increasing rate of path lengths is correlated with the pitch angle distribution (PAD) of peak electron intensities locally measured, with a higher rate corresponding to a broader PAD. The correlation indicates that the path length enhancement is due to the interplanetary scattering experienced by first arriving electrons. The observed path length consistency implies that the maximum stable time of magnetic flux tubes, along which particles transport, could reach 4.8 hr.

Upstream gyrophase bunched ions - A mechanism for creation at the bow shock and the growth of velocity space structure through gyrophase mixing

NASA Technical Reports Server (NTRS)

Gurgiolo, C.; Parks, G. K.; Mauk, G. H.

1983-01-01

The conditions necessary for the production of gyrophase bunched ions at the bow shock are developed. The conditions are applied to the reflection mechanism presented by Paschmann et al. (1980), showing that when in their model a portion of the incident parallel velocity is converted into reflected perpendicular velocity, the reflected particles are gyrophase bunched. The growth of velocity space structure in the gyrophase bunched distribution through gyrophase mixing is also explored. The structure is found to be similar to that reported in diffuse and dispersed ion events. This together with the close correlation of the observation of gyrophase bunched ions with diffuse and dispersed ions has led us to speculate that these two populations may be closely related.

Approximation of super-ions for single-file diffusion of multiple ions through narrow pores.

PubMed

Kharkyanen, Valery N; Yesylevskyy, Semen O; Berezetskaya, Natalia M

2010-11-01

The general theory of the single-file multiparticle diffusion in the narrow pores could be greatly simplified in the case of inverted bell-like shape of the single-particle energy profile, which is often observed in biological ion channels. There is a narrow and deep groove in the energy landscape of multiple interacting ions in such profiles, which corresponds to the pre-defined optimal conduction pathway in the configurational space. If such groove exists, the motion of multiple ions can be reduced to the motion of single quasiparticle, called the superion, which moves in one-dimensional effective potential. The concept of the superions dramatically reduces the computational complexity of the problem and provides very clear physical interpretation of conduction phenomena in the narrow pores.

Saturation Length of Erodible Sediment Beds Subject to Shear Flow

NASA Astrophysics Data System (ADS)

Casler, D. M.; Kahn, B. P.; Furbish, D. J.; Schmeeckle, M. W.

2016-12-01

We examine the initial growth and wavelength selection of sand ripples based on probabilistic formulations of the flux and the Exner equation. Current formulations of this problem as a linear stability analysis appeal to the idea of a saturation length-the lag between the bed stress and the flux-as a key stabilizing influence leading to selection of a finite wavelength. We present two contrasting formulations. The first is based on the Fokker-Planck approximation of the divergence form of the Exner equation, and thus involves particle diffusion associated with variations in particle activity, in addition to the conventionally assumed advective term. The role of a saturation length associated with the particle activity is similar to previous analyses. However, particle diffusion provides an attenuating influence on the growth of small wavelengths, independent of a saturation length, and is thus a sufficient, if not necessary, condition contributing to selection of a finite wavelength. The second formulation is based on the entrainment form of the Exner equation. As a precise, probabilistic formulation of conservation, this form of the Exner equation does not distinguish between advection and diffusion, and, because it directly accounts for all particle motions via a convolution of the distribution of particle hop distances, it pays no attention to the idea of a saturation length. The formulation and resulting description of initial ripple growth and wavelength selection thus inherently subsume the effects embodied in the ideas of advection, diffusion, and a saturation length as used in other formulations. Moreover, the formulation does not distinguish between bed load and suspended load, and is thus broader in application. The analysis reveals that the length scales defined by the distribution of hop distances are more fundamental than the saturation length in determining the initial growth or decay of bedforms. Formulations involving the saturation length coincide with the special case of an exponential distribution of hop distance, where the saturation length is equal to the mean hop distance.

Layered materials with improved magnesium intercalation for rechargeable magnesium ion cells

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

Doe, Robert E.; Downie, Craig M.; Fischer, Christopher

2016-01-19

Electrochemical devices which incorporate cathode materials that include layered crystalline compounds for which a structural modification has been achieved which increases the diffusion rate of multi-valent ions into and out of the cathode materials. Examples in which the layer spacing of the layered electrode materials is modified to have a specific spacing range such that the spacing is optimal for diffusion of magnesium ions are presented. An electrochemical cell comprised of a positive intercalation electrode, a negative metal electrode, and a separator impregnated with a nonaqueous electrolyte solution containing multi-valent ions and arranged between the positive electrode and the negativemore » electrode active material is described.« less

An approximate theoretical treatment of ion transfer processes at asymmetric microscopic and nanoscopic liquid-liquid interfaces: Single and double potential pulse techniques

NASA Astrophysics Data System (ADS)

Molina, A.; Laborda, E.; Compton, R. G.

2014-03-01

Simple theory for the electrochemical study of reversible ion transfer processes at micro- and nano-liquid|liquid interfaces supported on a capillary is presented. Closed-form expressions are obtained for the response in normal pulse and differential double pulse voltammetries, which describe adequately the particular behaviour of these systems due to the ‘asymmetric’ ion diffusion inside and outside the capillary. The use of different potential pulse techniques for the determination of the formal potential and diffusion coefficients of the ion is examined. For this, very simple analytical expressions are presented for the half-wave potential in NPV and the peak potential in DDPV.

Damage to the Silicon Substrate by Reactive Ion Etching Detected by a Slow Positron Beam

NASA Astrophysics Data System (ADS)

Wei, Long; Tabuki, Yasushi; Tanigawa, Shoichiro

1993-01-01

Defects in reactive ion-etched Si have been investigated by means of a slow positron beam. A thin carbon-containing film (<30 Å) was formed on the Si surface after reactive ion etching (RIE). Vacancy-type defects, which were estimated to distribute over 1200 Å in depth by numerical fitting using the positron trapping model, were observed in the damaged subsurface region of Si. Aside from ion bombardment, ultraviolet radiation is also presumed to affect the formation of vacancies, interstitials in oxide and the formation of vacancies in Si substrate. The ionization-enhanced diffusion (IED) mechanism is expected to promote the diffusion of vacancies and interstitials into Si substrate.