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NASA NTRS2009

Performance Testing of Yardney Li-Ion Cells and Batteries in Support of Future NASA Missions

NASA requires lightweight rechargeable batteries for future missions to Mars and the outer planets that are capable of operating over a wide range of temperatures, with high specific energy and energy densities. Due to the attractive performance characteristics, Li-ion batteries have been identified as the battery chemistry of choice for a number of future applications. For example, JPL is planning to launch another unmanned rover mission to the planet Mars. This mission, referred to as the Mars Science Laboratory (MSL), will involve the use of a rover that is much larger than the previously developed Spirit and Opportunity Rovers for the 2003 Mars Exploration Rover (MER) mission, that are currently still in operation on the surface of the planet after more than five years. Part of the reason that the MER rovers have operated so successfully, far exceeding the required mission duration of 90 sols, is that they possess robust Li-ion batteries, manufactured by Yardney Technical Products, which have demonstrated excellent life characteristics. Given the excellent performance characteristics displayed, similar Li-ion batteries have been projected to successfully meet the mission requirements of the up-coming MSL mission. In addition to future missions to Mars, Li-ion technology is attractive for a number of other future NASA applications which require high specific energy, rechargeable batteries. To ascertain the viability of using Li-ion batteries for these applications, a number of performance validation tests have been performed on both Yardney cells and batteries of various sizes. These tests include mission simulation tests, charge and discharge rate characterization testing, cycle life testing under various conditions, and storage testing.

Smart, M. C.↗

NASA NTRS1991

Solar control of the earth's emission of energetic O(+)

Energetic (0.1-16 keV/e) O(+) data obtained in the earth's plasma sheet (between 10 and 23 RE) by an ion mass spectrometer on the ISEE-1 spacecraft are compared statistically with published data on the concurrent solar wind and IMF. The most strongly variable parameter of the plasma sheet O(+) is its density, which is found to be well correlated with certain solar wind parameters, especially with the solar wind flow speed and the IMF component perpendicular to the flow vector. When those two solar wind parameters are combined to form an electric field (-v x B), both the number density and the energy density of the O(+) are found to vary in proportion to the square of that electric field, on average, suggesting that the emission of energetic O(+) ions from the earth may be powered by that same field. Based on this and on the previously published correlation with solar activity, it is argued that the emission of O(+) is controlled by a combination of HF (ionizing) and quasi-static (accelerating) solar electromagnetic fields.

Lennartsson, W.↗

NASA NTRS1983

Hydrodynamic models of the cometary atmosphere

Self-consistent transonic multifluid solutions for the dynamical and thermal structure of the two-phase dusty gas atmosphere of a comet containing a dirty H2O-clathrate ice nucleus have been obtained. This was done by solving a simultaneous set of differential equations representing conservation of number density, momentum, and energy, as well as the transfer of solar radiation responsible for the major photolytic processes and nuclear heating. The results presented include velocity and Mach number profiles of heavy species and the velocity of dust within the subsonic and supersonic regions, temperature profiles of the dust and gas in the supersonic region, and radial profiles of electron and ion densities in the collision-dominated region.

Mendis, D. A.↗

DOE OSTI2020

Effect of salt concentration profiles on protrusion growth in lithium-polymer-lithium cells

In this report, the formation of dendrites and other protrusions on lithium metal anodes is a subject of continued interest due to the potential to incorporate these anodes in next-generation rechargeable batteries with increased energy densities. Solid polymer electrolytes show improved stability against lithium metal compared to liquid carbonate electrolytes. We have studied the effect of salt concentration on the formation of protrusions formed on electrodeposited lithium through a rigid block copolymer electrolyte, polystyrene-block-poly(ethylene oxide) (PS-b-PEO or SEO), in a lithium-lithium symmetric cell. The cell lifetime decreases by a factor of 100 when salt concentration is increased by a factor of 5. Our main objective is to understand the reason for this observation. We show that this decrease is not due to a salt-induced change of the morphology of the block-copolymer electrolyte, nor is it due to a salt-induced change of mechanical properties. We use an approach based on Newman's concentrated solution theory to fully characterize ion transport in the block-copolymer electrolyte, and report the conductivity, salt diffusion coefficient, cation transference number, and thermodynamic factor. Neither cell lifetime nor protrusion density in failed cells correlate with any of these electrochemical parameters. However, the electrochemical parameters can be used to predict salt concentration profiles in our symmetric cells. We posit that an important parameter in protrusion growth is the magnitude of the salt concentration gradient, Δ. We observe a direct correlation between Δ and lithium protrusion growth.

25 ENERGY STORAGE↗

DOE OSTI2022

Sensitivity of time-dependent density functional theory to initial conditions

Time-dependent density-functional theory is mathematically formulated through nonlinear coupled time-dependent three-dimensional partial differential equations, and it is natural to expect a strong sensitivity of its solutions to variations of the initial conditions, akin to the butterfly effect ubiquitous in classical dynamics. Since the Schrödinger equation for an interacting many-body system is, however, linear and mathematically the exact equations of the density-functional theory reproduce the corresponding one-body properties, it would follow that the Lyapunov exponents are also vanishing within a density-functional theory framework. Whether for realistic implementations of the time-dependent density-functional theory the question of the absence of the butterfly effect and whether the dynamics provided is indeed a predictable theory was never discussed. At the same time, since the time-dependent density-functional theory is a unique tool allowing us to study the nonequilibrium dynamics of strongly interacting many-fermion systems, the question of predictability of this theoretical framework is of paramount importance. Here our analysis, for a number of quantum superfluid many-body systems (unitary Fermi gas, nuclear fission, and heavy-ion collisions) with a classical equivalent number of degrees of freedom O(10 10 ) and larger, suggests that its maximum Lyapunov exponents are negligible for all practical purposes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Multifunctional Utilization of Pitch-Coated Carbon Fibers in Lithium-Based Rechargeable Batteries

This work reports carbon fibers as an electrode material and current collector for dual-carbon and lithium-ion batteries. Here, fully graphitic and semigraphitic carbon fibers undergo anion intercalation beyond 4.5 V versus Li/Li + . Symmetric dual-carbon full cells using a pitch-coated fully graphitic carbon fiber mat as both cathode and anode delivers an energy-density of 276 and 322 Wh kg -1 at 342 W kg -1 power density in the voltage range of 3.0–5.0 and 3.0–5.2 V, respectively. On the other hand, nongraphitic carbon fibers do not exhibit anion intercalation up to 5.2 V and can be used as a current collector. They also possess a larger number of Li + storage sites in their randomly oriented microstructure when used as an anode. A lithium-ion full cell with double carbon-coated C-LiFePO 4 loaded on nongraphitic carbon fiber as a cathode and pitch-coated nongraphitic carbon fiber as an anode exhibits 202.6 and 75.2 Wh kg -1 energy density at power densities of 46.75 W kg -1 and 11.7 kW kg -1 , respectively in 2.0–3.5 V range. This pitch-coated carbon fiber-based battery configuration eliminates the need for metal foils and costly fluorinated binders, lowers overall weight of the cell, and is capable of sustaining mechanical stress and thermal shock.

PF6− intercalation↗

NASA NTRS1979

Effect of a neutral N2 cloud on the electrical charging of an electron beam-emitting rocket in the ionosphere - Echo IV

The interaction of 114 moles of neutral N2 and a 40-kV, 80 mA electron beam was studied during the Echo IV rocket flight. Neutralizing return currents to the rocket body preferentially followed a route back through the region where the electron beam interacted with the cloud. Photometric observations of a complex luminous discharge accompanying beam injection are reported. Observations of 3914-A emission produced by the beam indicated a maximum neutral N2 number density of nearly 10 to the 15th power per cu cm. An oscillatory discharge with a frequency somewhat lower than the N2 (+) ion gyrofrequency was noted at one point.

Israelson, G. A.↗

NASA NTRS2001

Viscosity Coefficient Curve Fits for Ionized Gas Species Grant Palmer

Viscosity coefficient curve fits for neutral gas species are available from many sources. Many do a good job of reproducing experimental and computational chemistry data. The curve fits are usually expressed as a function of temperature only. This is consistent with the governing equations used to derive an expression for the neutral species viscosity coefficient. Ionized species pose a more complicated problem. They are subject to electrostatic as well as intermolecular forces. The electrostatic forces are affected by a shielding phenomenon where electrons shield the electrostatic forces of positively charged ions beyond a certain distance. The viscosity coefficient for an ionized gas species is a function of both temperature and local electron number density. Currently available curve fits for ionized gas species, such as those presented by Gupta/Yos, are a function of temperature only. What they did was to assume an electron number density. The problem is that the electron number density they assumed was unrealistically high. The purpose of this paper is two-fold. First, the proper expression for determining the viscosity coefficient of an ionized species as a function of both temperature and electron number density will be presented. Then curve fit coefficients will be developed using the more realistic assumption of an equilibrium electron number density. The results will be compared against previous curve fits and against highly accurate computational chemistry data.

Palmer, Grant↗

DOE OSTI2022

EDAT

SAND2022-13281 O EDAT is a suite of tools for analyzing time-dependent electron densities produced by time-dependent density functional theory (TDDFT) simulations of ion-irradiated materials and surfaces. The code’s key capabilities include various routines to extract the number of electrons emitted from a surface, the energy spectrum of these emitted electrons, and the number of electrons captured by the ion. The code is written in Python and can interface with multiple TDDFT codes. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Kononov, Alina↗

NASA NTRS2006

Physics-based Tests to Identify the Accuracy of Solar Wind Ion Measurements: A Case Study with the Wind Faraday Cups

We present techniques for comparing measurements of velocity, temperature, and density with constraints imposed by the plasma physics of magnetized bi-Maxwellian ions. Deviations from these physics-based constraints are interpreted as arising from measurement errors. Two million ion spectra from the Solar Wind Experiment Faraday Cup instruments on the Wind spacecraft are used as a case study. The accuracy of velocity measurements is determined by the fact that differential flow between hydrogen and helium should be aligned with the ambient magnetic field. Modeling the breakdown of field alignment suggests velocity uncertainties are less than 0.16% in magnitude and 3deg in direction. Temperature uncertainty is found by examining the distribution of observed temperature anisotropies in high-beta solar wind intervals where the firehose, mirror, and cyclotron microinstabilities should drive the distribution to isotropy. The presence of a finite anisotropy at high beta suggests overall temperature uncertainties of 8%. Hydrogen and helium number densities are compared with the electron density inferred from observations of the local electron plasma frequency as a function of solar wind speed and year. We find that after accounting for the contribution of minor ions, the results are consistent with a systematic offset between the two instruments of 34%. The temperature and density methods are sensitive to non-Maxwellian features such as heat flux and proton beams and as a result are more suited to slow solar wind where these features are rare. These procedures are of general use in identifying the accuracy of observations from any solar wind ion instrument.

Kasper, J. C.↗

NASA NTRS2002

Measurement of Absolute Excitation Cross Sections in Highly-Charged Ions Using Electron Energy Loss and Merged Beams

There is increasing emphasis during this decade on understanding energy balance and phenomena observed in high electron temperature plasmas. The UV spectral return from FUSE, the X-ray spectral return from the HETG on Chandra and the LETGS 011 XMM-Newton are just beginning. Line emissions are almost entirely from highly-charged ions (HCIs) of C, N, 0, Ne, Mg, S, Si, Ca, and Fe. The Constellation-X mission will provide X-ray spectroscopy up to photon energies of 0.12 nm (10 keV) where primary line emitters will be HCIs. A variety of atomic parameters are required to model the stellar and solar plasma. These include cross sections for excitation, ionization, charge-exchange, X-ray emission, direct and indirect recombination, lifetimes and branching ratios, and dependences on l, m mixing by external E and B fields. In almost all cases the atomic quantities are calculated, and few comparisons to experiment have been carried out. Collision strengths and Einstein A-values are required to convert the observed spectral intensities to electron temperatures and densities in the stellar plasma. The JPL electron energy-loss and merged beam approach has been used to measure absolute collision strengths in a number of ions, with critical comparison made to the best available theories.

Chutjian, A.↗

NASA NTRS2014

Magnetosheath Filamentary Structures Formed by Ion Acceleration at the Quasi-Parallel Bow Shock

Results from 2.5-D electromagnetic hybrid simulations show the formation of field-aligned, filamentary plasma structures in the magnetosheath. They begin at the quasi-parallel bow shock and extend far into the magnetosheath. These structures exhibit anticorrelated, spatial oscillations in plasma density and ion temperature. Closer to the bow shock, magnetic field variations associated with density and temperature oscillations may also be present. Magnetosheath filamentary structures (MFS) form primarily in the quasi-parallel sheath; however, they may extend to the quasi-perpendicular magnetosheath. They occur over a wide range of solar wind Alfvénic Mach numbers and interplanetary magnetic field directions. At lower Mach numbers with lower levels of magnetosheath turbulence, MFS remain highly coherent over large distances. At higher Mach numbers, magnetosheath turbulence decreases the level of coherence. Magnetosheath filamentary structures result from localized ion acceleration at the quasi-parallel bow shock and the injection of energetic ions into the magnetosheath. The localized nature of ion acceleration is tied to the generation of fast magnetosonic waves at and upstream of the quasi-parallel shock. The increased pressure in flux tubes containing the shock accelerated ions results in the depletion of the thermal plasma in these flux tubes and the enhancement of density in flux tubes void of energetic ions. This results in the observed anticorrelation between ion temperature and plasma density.

magnetosheath↗

DOE OSTI2021

Hyperdiffusion of dust particles in a turbulent tokamak plasma

The effect of plasma turbulence on the trajectories of dust particles is investigated for the first time. The dynamics of dust particles is computed using the ad-hoc developed Dust Injection Simulator code, using a 3D turbulent plasma background computed with the TOKAM3X code. As a result, the evolution of the particle trajectories is governed by the ion drag force, and the shape of the trajectory is set by the Stokes number $St\propto a_d/n_0$, with $a_d$ the dust radius and $n_0$ the density at the separatrix. The plasma turbulence is observed to scatter the dust particles, exhibiting a hyperdiffusive regime in all cases. The amplitude of the turbulent spread of the trajectories $\Delta r^2$ is shown to depend on the ratio $Ku/St$, with $Ku\propto u_{rms}$ the Kubo number and $u_{rms}$ the fluctuation level of the plasma flow. These results are compared with a simple analytical model, predicting $\Delta r^2\propto (Ku/St)^2t^3$, or $\Delta r^2\propto (u_{rms}n_0/a_d)^2t^3$. As the dust is heated by the plasma fluxes, thermionic emission sets the dust charge, originally negative, to slightly positive values. This results in a substantial reduction of the ion drag force through the suppression of its Coulomb scattering component. The dust grain inertia is then no longer negligible, and drives the transition from a hyperdiffusive regime towards a ballistic one.

dust↗

NASA NTRS2021

Oblique High Mach Number Heliospheric Shocks: The Role of α Particles

Spacecraft observations of heliospheric shocks often find oscillations in the magnetic field and density both, upstream and downstream. The downstream magnetic oscillations of oblique collisionless shocks were detected by Wind with 10.9 samples/s and DSCOVR spacecraft with high temporal resolution of 50 samples/s. The density oscillations associated with the shocks are also evident in proton and α particle density by Wind (with much lower temporal resolution). Recently, we have investigated low Mach number low-β oblique shock oscillations using satellite data and 2.5D hybrid modeling with electrons modeled as fluid and ions modeled as particles and found that α particles—an important component of heliospheric plasma—may affect considerably the downstream oscillations and the shock structure. The objective of the present study is to investigate the effects of α particles on high Mach number heliospheric shocks dynamics, oscillations, nonstationarity, and shock-front rippling. We extend the study to high Mach number shocks (M > 3), investigate several α particle typical densities, and compare the results for the various shock parameters. We model the effects of α particles on the shock ramp, wake, and downstream oscillation structure and the kinetic properties of proton and α particle velocity distributions at various locations downstream of the shocks. Using the 2.5D hybrid model we found that the modeled high Mach number quasi-perpendicular shock magnetic and density structures are significantly affected by α particles with typical solar wind relative abundances, suggesting that the observed high Mach number shocks are similarly affected by α particles.

Leon Ofman↗

DOE OSTI2020

Real-time time-dependent density functional theory in Quantum Espresso and related codes

A set of subroutines that interact with an existing computer program, Quantum Espresso (QE), that takes a set of electronic orbitals from QE and propagates them forward in time in response to a number of perturbations. These perturbations include the motion of ions and a wide spectrum of applied electromagnetic fields (e.g., static magnetic fields, slowly-varying electric fields, x-rays, etc.). From the time evolution of the electronic orbitals comes time-varying values of physical observables like the electronic charge and current densities and atomic forces. These are further post-processed to yield properties of interest like stopping powers, conductivities, and the dynamic structure factor. The electronic orbitals are described in a plane wave basis and the equations of motion are carried out using a unitary or approximately unitary time propagation algorithm. Related work will include subroutines for interfacing this capability, as well as others that already exist within QE, with a fork of QE that is more extensible and modular.SAND2019-12611 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Baczewski, Andrew↗

NASA NTRS2011

Topside Equatorial Ionospheric Density and Composition During and After Extreme Solar Minimum

During the recent solar minimum, solar activity reached the lowest levels observed during the space age. This extremely low solar activity has accompanied a number of unexpected observations in the Earth s ionosphere-thermosphere system when compared to previous solar minima. Among these are the fact that the ionosphere is significantly contracted beyond expectations based on empirical models. Altitude profiles of ion density and composition measurements near the magnetic dip equator are constructed from the Communication/Navigation Outage Forecast System (C/NOFS) satellite to characterize the shape of the topside ionosphere during the recent solar minimum and into the new solar cycle. The variation of the profiles with respect to local time, season, and solar activity are compared to the IRI-2007 model. Building on initial results reported by Heelis et al. (2009), here we describe the extent of the contracted ionosphere, which is found to persist throughout 2009. The shape of the ionosphere during 2010 is found to be consistent with observations from previous solar minima.

Klenzing, J.↗

NASA NTRS2011

A Topside Equatorial Ionospheric Density and Composition Climatology During and After Extreme Solar Minimum

During the recent solar minimum, solar activity reached the lowest levels observed during the space age. This extremely low solar activity has accompanied a number of unexpected observations in the Earth's ionosphere and thermosphere when compared to previous solar minima. Among these are the fact that the ionosphere is significantly contracted beyond expectations based on empirical models. Climatological altitude profiles of ion density and composition measurements near the magnetic dip equator are constructed from the C/NOFS satellite to characterize the shape of the top side ionosphere during the recent solar minimum and into the new solar cycle. The variation of the profiles with respect to local time, season, and solar activity are compared to the IRI-2007 model. Building on initial results reported by Heelis et al. [2009], here we describe the extent of the contracted ionosphere, which is found to persist throughout 2009. The shape of the ionosphere during 2010 is found to be consistent with observations from previous solar minima.

Klenzing, J. H.↗

DOE OSTI2023

Anion-tethered Single Lithium-ion Conducting Polyelectrolytes through UV-induced Free Radical Polymerization for Improved Morphological Stability of Lithium Metal Anodes

Single Li + ion conducting polyelectrolytes (SICs), which feature covalently tethered counter-anions along their backbone, have the potential to mitigate dendrite formation by reducing concentration polarization and preventing salt depletion. However, due to their low ionic conductivity and complicated synthetic procedure, the successful validation of these claimed advantages in lithium metal (Li 0 ) anode batteries remains limited. In this study, we fabricated a SIC electrolyte using a single-step UV polymerization approach. The resulting electrolyte exhibited a high Li + transference number (t + ) of 0.85 and demonstrated good Li + conductivity (6.3×10 -5 S/cm at room temperature), which is comparable to that of a benchmark dual ion conductor (DIC, 9.1×10 -5 S/cm). Benefitting from the high transference number of SIC, it displayed a three-fold higher critical current density (2.4 mA/cm 2 ) compared to DIC (0.8 mA/cm 2 ) by successfully suppressing concentration polarization-induced short-circuiting. Additionally, the t + significantly influenced the deposition behavior of Li0, with SIC yielding a uniform, compact, and mosaic-like morphology, while the low t + DIC resulted in a porous morphology with Li 0 whiskers. Using the SIC electrolyte, Li 0 ||LiFePO 4 cells exhibited stable operation for 4500 cycles with 70.5 % capacity retention at 22 °C.

25 ENERGY STORAGE↗