Search NASA⌕ Search

SEARCH · Search NASA

Results for “charged”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Operando video microscopy of Li plating and re-intercalation on graphite anodes during fast charging

Despite the demand for fast-charging lithium (Li)-ion batteries, high-energy-density batteries with thick graphite anodes are limited by Li plating when charging at >4C rates. In this work, plan-view operando video microscopy is applied on >3 mA h cm –2 calendared graphite electrodes to study the dynamic evolution of local state-of-charge (SoC) and Li plating during fast charging. This technique allows for visualization of the spatial heterogeneity in SoC across the electrode, nucleation and growth of Li filaments, Li re-intercalation into graphite, “dead Li” formation, and SoC equilibration. The operando microscopy analysis is complemented by ex situ imaging of through-plane gradients in SoC to gain a three-dimensional visualization of spatial heterogeneity. We demonstrate that (1) Li plating preferentially nucleates on the graphite particles that lithiate fastest during fast charging; (2) the onset of Li plating correlates with the local minimum of the graphite electrode potential; (3) galvanic corrosion currents are responsible for Li re-intercalation, dead Li formation, and SoC re-equilibration after fast charging; and (4) electrochemical signatures during OCV rest or discharge are associated with Li re-intercalation into graphite. Furthermore, this work provides insight into the Li–graphite interactions at the composite electrode level and can be used to inform strategies to diagnose and mitigate Li plating during fast charging.

25 ENERGY STORAGE↗
DOE OSTI2023

Voltage-dependent excitation dynamics in UV-absorbing organic photovoltaics with efficient charge transfer exciton emission

Intermolecular charge-transfer excitons play a central role in determining the performance of organic solar cells as their voltage-dependent formation, dissociation, and recombination dynamics contribute to photocurrent generation, radiative/nonradiative voltage losses, and photovoltaic fill factor. Here, we explore the properties of brightly-emitting wide energy gap (>2 eV) charge transfer excitons by measuring the voltage-dependent photoluminescence, photocurrent, and ultrafast pump–probe transient absorption spectra of organic solar cells employing five UV-absorbing donor molecules that differ only by the length of the oligophenylene or acene group at their core. We find that organic solar cells with a strong correlation between their voltage-dependent photocurrent and charge-transfer exciton photoluminescence have low photovoltaic fill factors as they require voltage to facilitate efficient charge-transfer exciton dissociation. In contrast, solar cells that are efficient can readily generate charges without an applied field and have a separate population of tightly-bound charge-transfer excitons that are responsible for emission. Furthermore, considering that the sum of all excitation loss rates (i.e., recombination and charge extraction) must be equal to the excitation generation rate in the steady state, these voltage-dependent data allow us to solve for the voltage-dependent fate of all excitations in the solar cells and estimate upper and lower bounds for geminate and non-geminate recombination, respectively.

14 SOLAR ENERGY↗
DOE OSTI2020

Charge influence on point defect interactions with xenon bubbles in uranium dioxide

The interaction of xenon (Xe) bubbles with small self-defects in uranium dioxide (UO2) has been studied using molecular statics simulations. The results show that the pressure and size of bubbles have a minimal impact on the heterogeneity of the interaction between a charge neutral Xe bubble and charged point defects, while the local charge distribution around the bubble overwhelmingly determines the interaction strength and critical interaction distance. The charge effect on the interactions between Xe bubbles and defects was further confirmed by assessing the point defect interaction energies with negatively or positively charged Xe bubbles. The Xe density, or pressure, has a much smaller effect on the interaction energy between charged bubbles and small defects at least for low and medium pressure bubbles. The interactions between charged Xe bubbles and point defects basically follow the Coulomb electrostatic interaction law, which is independent of the empirical potentials employed for the Xe–UO2 system in this work.

Yang, L. (ORCID:0000000322166071)↗
DOE OSTI2020

Re-examining the silicon self-interstitial charge states and defect levels: A density functional theory and bounds analysis study

The self-interstitial atom (SIA) is one of two fundamental point defects in bulk Si. Isolated Si SIAs are extremely difficult to observe experimentally. Even at very low temperatures, they anneal before typical experiments can be performed. Given the challenges associated with experimental characterization, accurate theoretical calculations provide valuable information necessary to elucidate the properties of these defects. Previous studies have applied Kohn–Sham density functional theory (DFT) to the Si SIA, using either the local density approximation or the generalized gradient approximation to the exchange-correlation (XC) energy. The consensus of these studies indicates that a Si SIA may exist in five charge states ranging from -2 to +2 with the defect structure being dependent on the charge state. This study aims to re-examine the existence of these charge states in light of recently derived “approximate bounds” on the defect levels obtained from finite-size supercell calculations and new DFT calculations using both semi-local and hybrid XC approximations. We conclude that only the neutral and +2 charge states are directly supported by DFT as localized charge states of the Si SIA. Within the current accuracy of DFT, our results indicate that the +1 charge state likely consists of an electron in a conduction-band-like state that is coulombically bound to a +2 SIA. Furthermore, the -1 and -2 charge states likely consist of a neutral SIA with one and two additional electrons in the conduction band, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Charge collection and trapping mechanisms in hexagonal boron nitride epilayers

Understanding charge collection and trapping mechanisms is crucial for using hexagonal boron nitride (h-BN) as active layers for many photonic and electronic devices such as deep UV detectors and emitters, neutron detectors, and single photon emitters. Charge collection and trapping mechanisms in h-BN epilayers have been investigated by probing impurity related optical emissions under an applied electrical field. Our results suggested that the existence of oxygen impurities affects the charge collection efficiency and results in an additional emission peak at 3.75 eV, corresponding to a donor-acceptor pair (DAP) recombination involving O N (oxygen residing on the nitrogen site) donors and the V B -H (boron vacancy bonded with hydrogen complex) deep level acceptors. Experimental results further revealed that the applied electric field induces an anti-correlation between the emission intensity of the DAP transition and the charge collection efficiency from which it was shown that it is possible to find an expression to quantitatively measure the maximum charge collection efficiency in h-BN. The results introduce not only a coherent picture for the relationship between common impurities in h-BN and charge collection and trapping mechanisms but also useful insights into possible approaches to improve the quality, purity, and charge collection of the h-BN epilayers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Self-consistent calculations of the electric charge, ion drag force, and the drift velocity of spherical grains using Langevin dynamics and comparisons against canonical experiments

We present trajectory simulation-based modeling to capture the interactions between ions and charged grains in dusty or complex plasmas. Our study is motivated by the need for a self-consistent and experimentally validated approach for accurately calculating the ion drag force and grain charge that determine grain collective behavior in plasmas. We implement Langevin dynamics in a computationally efficient predictor–corrector approach to capture multiscale ion and grain dynamics. Predictions of grain velocity, grain charge, and ion drag force are compared with prior measurements to assess our approach. The comparisons reveal excellent agreement to within ±20% between predicted and measured grain velocities [Yaroshenko et al., Phys. Plasmas 12, 093503 (2005) and Khrapak et al., Europhys. Lett. 97, 35001 (2012)] for 0.64, 1.25 μm grains at ∼20−500 Pa. Comparisons with the measured grain charge [Khrapak et al., Phys. Rev. E 72, 016406 (2005)] under similar conditions reveal agreement to within ∼20% as well. Measurements of the ion drag force [Hirt et al., Phys. Plasmas 11, 5690 (2004); IEEE Trans. Plasma Sci. 32, 582 (2004)] are used to assess the viability of the presented approach to calculate the ion drag force experienced by grains exposed to ion beams of well-defined energy. Excellent agreement between calculations and measurements is obtained for beam energies >10 eV, and the overprediction below 10 eV is attributed to the neglect of charge exchange collisions in our modeling. Along with critical assessments of our approach, suggestions for future experimental design to probe charging of and momentum transfer onto grains that capture the effect of space charge concentration and external fields are outlined.

Physics↗
DOE OSTI2024

Optimal hybrid power plants for electric vehicle charging demand

Transmission constraints, increasing motivations to decarbonize, and concerns over peak electric vehicle (EV) load impacts on local grids have driven electric customers to consider behind-the-meter, hybrid power plant generation and storage at the distributed-grid level for EV charging. In this study, we develop capabilities to optimize hybrid power plant component capacities for EV charging. We then demonstrate these capabilities in a case study for Boulder, Colorado, using public EV charging data as well as wind and solar resource data. Our results show system designs that balance the cost of energy with load-meeting and peak shaving performance. Within the case study, systems designed for wind, solar photovoltaic (PV), and storage resulted in lower cost of energy than those optimized for PV and storage only. This indicates that in areas where wind resource exists, hybrid power plants that include wind, PV, and battery assets can better meet EV charging loads (including peak loads that are prone to overloading local grids) than PV and battery assets alone. Future work to address limitations in this paper include extending cost modeling to include performance losses (e.g., based on operations or weather) and charging station costs to estimate levelized cost of charging, and quantifying uncertainty and error in our aggregation methods for estimating EV charging loads at the hourly timescale.

14 SOLAR ENERGY↗
DOE OSTI2026

High-efficiency, high-fidelity charge initialization of shallow nitrogen-vacancy centers in diamond

Nitrogen-vacancy (N-𝑉) centers in diamond exhibit long spin-coherence times, optical initialization, and optical-spin readout under ambient conditions, making them excellent quantum sensors. However, the conventional scheme for charge-state initialization based on off-resonant green excitation results in significant state-preparation errors, typically around 30%. One method for improving charge-state initialization fidelity is to use multicolor excitation, which has been demonstrated to achieve a near-unity preparation fidelity for bulk N-𝑉 centers by using a few milliseconds of near-infrared (NIR) (5-mW) and green (10-μ⁢W) excitation. The translation of such schemes to N-𝑉 centers near the diamond surface with higher-efficiency optical pumping would enable new applications in nanoscale sensing. Here, we demonstrate a protocol for efficient charge initialization of shallow N-𝑉 centers between 5 nm and 15 nm from the diamond surface. By carefully studying the charge dynamics of shallow N-𝑉 centers, we identify a region of parameter space that allows for near-unity (95%) charge initialization within 300 μ⁢s of NIR (905-nm, 1-mW) and green (520-nm, 10-μ⁢W) excitation. The time to 90% charge initialization can be as fast as 10 μ⁢s for 4 mW of NIR and 39 μ⁢W of green illumination. This fast, efficient charge initialization protocol will especially benefit nanoscale sensing applications in which state-preparation errors currently prohibit scaling, such as measuring higher-order multipoint correlators.

infrared techniques↗
DOE OSTI2025

Gauge invariance and color charge fluctuations

The nature of confinement is connected with color charge. Unfortunately, the color charge densities in QCD, the Noether charge densities associated with the global color invariance, are not invariant under local color rotations. This implies that the expectation values of the net color charge in any region of any physical state in QCD—states that satisfy the color Gauss law—are automatically zero for all components of color. In this Letter, it is shown that the expectation value of the square of the net color charge in a region—a measure of the color charge fluctuations—is necessarily nonzero when evaluated in physical states and the result, while depending on the scheme and scale by which the theory is regulated, is gauge invariant. This holds despite the formal lack of gauge invariance of the operator. Moreover, there is a particular combination of the color charge fluctuations for the vacuum and for a system describable by a nontrivial density matrix that is independent that has a well-defined continuum limit.

color confinement↗
DOE OSTI2024

Compensating slice emittance growth in high brightness photoinjectors using sacrificial charge

Achieving maximum electron beam brightness in photoinjectors requires detailed control of the 3D bunch shape and precise tuning of the beam focusing. Even in state-of-the-art designs, slice emittance growth due to nonlinear space charge forces and partial nonlaminarity often remains non-negligible. In this work, we introduce a new means to linearize the transverse slice phase space: a sacrificial portion of the bunch’s own charge distribution, formed into a wavebroken shock front by highly nonlinear space charge forces within the gun, whose downstream purpose is to dynamically linearize the desired bunch core. We show that linearization of an appropriately prepared bunch can be achieved via strongly nonlaminar focusing of the sacrificial shock front, while the inner core focuses laminarly. This leads to a natural spatial separation of the two distributions: a dense core surrounded by a diffuse halo of sacrificial charge that can be collimated. Multiobjective genetic algorithm optimizations of the ultracompact x-ray free electron laser injector employ this concept, and we interpret it with an analytic model that agrees well with the simulations. In simulation, we demonstrate a final bunch charge of 100 pC, peak current ∼ 30 A, and a sacrificial charge of 150 pC (250 pC total emitted from cathode) with normalized emittance growth of < 20 nm rad due to space charge. This implies a maximum achievable brightness approximately an order of magnitude greater than existing free electron laser injector designs. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Charge transfer excitations, pair density waves, and superconductivity in moiré materials

Transition-metal dichalcogenide (TMD) bilayers are a new class of tunable moiré systems attracting interest as quantum simulators of strongly interacting electrons in two dimensions. In particular, recent theory predicts that the correlated insulator observed in WSe 2 /WS 2 at half filling is a charge-transfer insulator similar to cuprates and, upon further hole doping, exhibits a transfer of charge from anionlike to cationlike orbitals at different locations in the moiré unit cell. In this work, we demonstrate that in this doped charge-transfer insulator, tightly bound charge-2$\textit{e}$ excitations can form to lower the total electrostatic repulsion. This composite excitation, which we dub a trimer, consists of a pair of holes bound to a charge-transfer exciton. When the bandwidth of doped holes is small, trimers crystallize into insulating pair density waves at a sequence of commensurate doping levels. Further, when the bandwidth becomes comparable to the pair binding energy, itinerant holes and charge-2$\textit{e}$ trimers interact resonantly, leading to unconventional superconductivity similar to superfluidity in an ultracold Fermi gas near Feshbach resonance. Our theory is broadly applicable to strongly interacting charge-transfer insulators, such as WSe 2 /WS 2 or TMD homobilayers under an applied electric field.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Landau-Ginzburg theory of charge density wave formation accompanying lattice and electronic long-range ordering

Here we propose an analytical Landau-Ginzburg (LG) theory of the charge density waves coupled with lattice and electronic long-range order parameters. Examples of long-range order include the electronic wave function of superconducting Cooper pairs, structural distortions, electric polarization, and magnetization. We formulate the LG free energy density as a power expansion with respect to the charge density and other long-range order parameters as well as their spatial gradients and biquadratic coupling terms. We introduced a biquadratic coupling between the charge density gradient and long-range order parameters as well as nonlinear higher gradients of the long-range order parameters. The biquadratic gradient coupling is critical to the appearance of different spatially modulated phases in charge-ordered ferroics and high-temperature superconductors. We derived the thermodynamic conditions for the stability of the spatially modulated phases, which are the intertwined spatial waves of charge density and lattice/electronic long-range order. The analytical expressions for the energies of different phases, corresponding order parameters, charge density waves amplitudes, and modulation periods obtained in this paper can be employed to guide the comprehensive physical explanation, deconvolution, and Bayesian analysis of experimental data on quantum materials ranging from charge-ordered ferroics to high-temperature superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Exact evaluation of large-charge correlation functions in nonrelativistic conformal field theory

The large-charge master field which generates all n -point correlation functions with an insertion of large charge Q in nonrelativistic conformal field theory is obtained. This field is used to compute Schrödinger-invariant n -point correlation functions of large-charge operators via a direct evaluation of the path integral. Conformal dimensions are found to agree with calculations based on the state-operator correspondence. The master field solution exhibits an emergent harmonic trap whose frequency is a function of the Euclidean time. The large-charge effective action with operator insertions describes a droplet of superfluid matter whose spatial size scales with the time separation of sources. The solution is used to compute Schrödinger symmetry breaking corrections in the large-charge effective field theory (EFT) due to a finite scattering length in the fundamental theory of fermions near unitarity. The scaling of these effects in the large-charge power counting scheme is established, and the size of the effects is quantified using input from quantum Monte Carlo simulations of the near-unitary gas, as well as from the large- N expansion at large charge. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2023

Signatures of an energetic charged body streaming in a plasma

A charged body moving in a plasma can excite a variety of linear and nonlinear waves in the form of trailing wakes, fore-wake shocks, and precursor solitons. These structures can further interact with the background plasma to create secondary effects that can serve as signatures of the passage of the charged body. Using particle-in-cell simulations, we carry out a basic investigation of the dynamics of a plasma system that is being traversed by an energetic charged body. Using two different shapes of this charged source, namely, an idealized infinite length planar source and a two-dimensional thin rectangular source, we examine the differences in the nature of the excited wave structures and their consequent impact on the background plasma. Our simulations reveal interesting features such as the dependence of the precursor speeds on the total charge on the driving source, local particle trapping, and energization of the trapped particles in various regions along the traversal path leading to the formation of energetic charged beamlets. So our basic findings could find practical applications such as in analyzing the trajectories of charged objects like space debris orbiting in the ionosphere.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Indications for Freeze-Out of Charge Fluctuations in the Quark-Gluon Plasma at the LHC

The D-measure of net-charge fluctuations quantifies the variance of net charge in strongly interacting matter. It was introduced over 20 years ago as a potential signal of quark-gluon plasma (QGP) in heavy-ion collisions, where it is expected to be suppressed due to the fractional electric charges of quarks. Measurements have been performed at RHIC and LHC, but the conclusion has been elusive in the absence of quantitative calculations for both scenarios. We address this issue by employing a recently developed formalism of density correlations and incorporate resonance decays, local charge conservation, and experimental kinematic cuts. We find that the hadron gas scenario is in fair agreement with the ALICE data for $\sqrt{{𝑠}_{\textrm{NN}}}$ = 2.76 TeV Pb–Pb collisions only when a very short rapidity range of local charge conservation is enforced, while the QGP scenario is in excellent agreement with experimental data and largely insensitive to the range of local charge conservation. A Bayesian analysis of the data utilizing different priors yields moderate evidence for the freeze-out of charge fluctuations in the QGP phase relative to hadron gas. The upcoming high-fidelity measurements from LHC Run 2 will serve as a precision test of the two scenarios.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Optimal Sizing of PV and Energy Storage in an Electric Vehicle Extreme Fast Charging Station

This paper proposes an optimization model for the optimal sizing of photovoltaic (PV) and energy storage in an electric vehicle extreme fast charging station considering the coordinated charging strategy of the electric vehicles. The proposed model minimizes the annualized cost of the extreme fast charging station, including investment and maintenance cost of PV and energy storage, cost of purchasing energy from utility and demand charge. The decision variables are capacity of invested PV and the power and energy ratings of invested energy storage. To further reduce the annualized cost of the extreme fast charging station, the charging strategy of electric vehicles are integrated into the optimization model and coordinated with the power output of PV and charging/discharging of energy storage. Results of numerical simulations indicate that investment of PV and energy storage could help reduce the annualized cost of the extreme fast charging station significantly. Meanwhile, the impacts of various parameters on the optimal solution are investigated by sensitivity analysis.

Liu, Guodong↗
DOE OSTI2022

A general framework for gravitational charges and holographic renormalization

We develop a general framework for constructing charges associated with diffeomorphisms in gravitational theories using covariant phase space techniques. This framework encompasses both localized charges associated with space–time subregions, as well as global conserved charges of the full space–time. Expressions for the charges include contributions from the boundary and corner terms in the subregion action, and are rendered unambiguous by appealing to the variational principle for the subregion, which selects a preferred form of the symplectic flux through the boundaries. The Poisson brackets of the charges on the subregion phase space are shown to reproduce the bracket of Barnich and Troessaert for open subsystems, thereby giving a novel derivation of this bracket from first principles. In the context of asymptotic boundaries, we show that the procedure of holographic renormalization can be always applied to obtain finite charges and fluxes once suitable counterterms have been found to ensure a finite action. This enables the study of larger asymptotic symmetry groups by loosening the boundary conditions imposed at infinity. We further present an algorithm for explicitly computing the counterterms that renormalize the action and symplectic potential, and, as an application of our framework, demonstrate that it reproduces known expressions for the charges of the generalized Bondi–Metzner–Sachs algebra.

Physics↗
DOE OSTI2025

Role of Pb/PbSO 4 Morphologies in Dynamic Charge Acceptance of Lead Acid Batteries

The dynamic charge acceptance (DCA) of negative pastes in lead acid batteries is studied using a continuum level model that is validated against in situ X-ray diffraction experiments. The model matches the current transient during a ten-minute, 2.4 V charge at 80% state of charge (SOC) using a distribution of PbSO 4 particles. <2% by volume of small, reactive particles is shown to provide ∼50% of the capacity during the first ten seconds. Increases in DCA with increasing carbon content are captured with increasing lead surface area. The increase in DCA when the 2.4 V charge is done after discharging to 80% SOC (vs charging to 80%) is captured by reducing the PbSO 4 particle sizes. It is hypothesized that the lower DCA after charging is caused by the absence of smaller particles that were consumed during the initial charge to 80% SOC, which is confirmed from X-ray measurements. Finally, two-particle case studies show that reducing the PbSO 4 particle size is more effective for increasing DCA than increasing the PbSO 4 dissolution rate alone. For a given lead surface area, the optimal DCA occurs when the particle sizes are large enough to avoid blocking the surface but small enough to provide dissolution/diffusion improvements.

Knehr, Kevin W. [Argonne National Laboratory (ANL)↗