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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.

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At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Selective Ion Enrichment and Charge Storage through Transport Hysteresis in Conical Nanopipettes

Greater selectivity and controls in the ion transport dynamics are essential in fields such as charge storage, separation, energy storage and conversion, neuromorphic computing and learning, electrochemistry, to name a few. Mechanistic insights into the intriguing hysteresis effects in the rectified electrokinetic transport through single conical nanopipettes are unveiled by combining time-resolved electroanalytical experiments with numeric simulation. Cations as counterions for surface charges are found to dominate not just the through-nanopore flux but also the hysteresis charges, that is, the net enriched or expelled charges during the transport process. Built on our earlier report on the through-nanopore ion flux dominated by counterions for surface charges, the “trapped ions” or hysteresis charges are analyzed herein. Cation selectivity is almost 100% in the hysteresis charges during the potential scans in low conductivity states driven by the combined applied and intrinsic surface electrical fields. Surprisingly, the cation selectivity in the total hysteresis charges remains high at 70–80% over a wide bulk concentration range in the high conductivity (HC) states, where higher ionic strength due to ion enrichment would decrease electrostatistic effects and thus ion selectivity. The retained high selectivity at HC is explained by the competition effects of electroosmotic flow against the co-ion migration. Furthermore, the respective cation and anion portions in the total hysteresis charges over a wide range of ionic strength and measurement conditions provide generalizable strategies for improvements in both transport throughput and selectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Pressure-induced charge orders and their postulated coupling to magnetism in hexagonal multiferroic LuFe 2 O 4

Hexagonal LuFe 2 O 4 is a promising charge order (CO) driven multiferroic material with high charge and spin-ordering temperatures. The coexisting charge and spin orders on Fe 3+ /Fe 2+ sites result in magnetoelectric behaviors, but the coupling mechanism between the charge and spin orders remains elusive. Here, by tuning external pressure, we reveal three charge-ordered phases with suggested correlation to magnetic orders in LuFe 2 O 4 : (i) a centrosymmetric incommensurate three-dimensional CO with ferrimagnetism, (ii) a non-centrosymmetric incommensurate quasi-two-dimensional CO with ferrimagnetism, and (iii) a centrosymmetric commensurate CO with antiferromagnetism. Experimental in situ single-crystal X-ray diffraction and X-ray magnetic circular dichroism measurements combined with density functional theory calculations suggest that the charge density redistribution caused by pressure-induced compression in the frustrated double-layer [Fe 2 O 4 ] cluster is responsible for the correlated spin-charge phase transitions. The pressure-enhanced effective Coulomb interactions among Fe-Fe bonds drive the frustrated (1/3, 1/3) CO to a less frustrated (1/4, 1/4) CO, which induces the ferrimagnetic to antiferromagnetic transition. Our results not only elucidate the coupling mechanism among charge, spin, and lattice degrees of freedom in LuFe 2 O 4 , but also provide a new way to tune the spin-charge orders in a highly controlled manner.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Electrostatic co-assembly of nanoparticles with oppositely charged small molecules into static and dynamic superstructures

Coulombic interactions can be used to assemble charged nanoparticles into higher-order structures, but the process requires oppositely charged partners that are similarly sized. The ability to mediate the assembly of such charged nanoparticles using structurally simple small molecules would greatly facilitate the fabrication of nanostructured materials and harnessing their applications in catalysis, sensing and photonics. Here we show that small molecules with as few as three electric charges can effectively induce attractive interactions between oppositely charged nanoparticles in water. These interactions can guide the assembly of charged nanoparticles into colloidal crystals of a quality previously only thought to result from their co-crystallization with oppositely charged nanoparticles of a similar size. Transient nanoparticle assemblies can be generated using positively charged nanoparticles and multiply charged anions that are enzymatically hydrolysed into mono- and/or dianions. Overall, our findings demonstrate an approach for the facile fabrication, manipulation and further investigation of static and dynamic nanostructured materials in aqueous environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Charging infrastructure access and operation to reduce the grid impacts of deep electric vehicle adoption

Electric vehicles will contribute to emissions reductions in the United States, but their charging may challenge electricity grid operations. We present a data-driven, realistic model of charging demand that captures the diverse charging behaviours of future adopters in the US Western Interconnection. We study charging control and infrastructure build-out as critical factors shaping charging load and evaluate grid impact under rapid electric vehicle adoption with a detailed economic dispatch model of 2035 generation. We find that peak net electricity demand increases by up to 25% with forecast adoption and by 50% in a stress test with full electrification. Locally optimized controls and high home charging can strain the grid. Shifting instead to uncontrolled, daytime charging can reduce storage requirements, excess non-fossil fuel generation, ramping and emissions. Our results urge policymakers to reflect generation-level impacts in utility rates and deploy charging infrastructure that promotes a shift from home to daytime charging.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Charges on a suspended silicon nitride membrane under a high-energy electron beam

Thin silicon nitride (SiN x ) membranes are widely used in gas and liquid phase transmission electron microscopy (TEM) and as phase plates to enhance imaging contrast. SiN x contains trap sites for both positive and negative charges, which can be manipulated by high-energy electron irradiation, external potential biasing, or light exposure. Charge accumulation on the membrane can significantly affect in situ TEM processes, including chemical and electrochemical reactions, nanoparticle dynamics, and catalytic activity, or introduce unwanted phase shifts when used as a phase plate. Here, in this study, charge accumulation on suspended SiN x membranes was investigated using off-axis electron holography combined with model-free charge analysis, supported by custom finite element analysis (FEA) simulations. An average residual positive charge density of approximately 2.8 × 10 −4 C m −2 was measured. Localized and stable regions of both positive and negative charges were identified on the membrane. The global positive and localized positive/negative charges give rise to strong electric fields and electroosmotic slip velocities at the membrane surface, which are sufficient to induce non-Brownian particle behavior and directional fluid flow, offering a physical explanation for previously observed anomalies in particle dynamics, nucleation, and growth during gas and liquid phase TEM experiments. These results provide a benchmark for understanding charge behavior at SiNx interfaces in gas and liquid phase TEM. Furthermore, the FEA simulations establish a framework for future investigations into charge distribution, electrostatic potentials, and electrical double layers at solid–liquid interfaces, particularly in complex geometries and chemically dynamic environments.

Suspended silicon↗
DOE OSTI2020

Laser power density dependence on charge state distribution of Ta ion laser plasma

Laser power density per pulse, which is commonly expressed with the unit of “W/cm2,” is an important parameter to characterize ablation plasma. To match a design charge state of heavy ion beam induced by a laser ion source, a laser power density must be carefully chosen. Above around 108 W/cm2 of laser power density, laser ablation plasma is emitted from the surface of solid material. Then, up to 109 W/cm2, the most abundant charge state is 1+. Because the ionization energy increases with higher charge states, increasing the laser intensity leads to the charge state distribution shifting higher. Increasing the density to increase charge states also results in lower time of flight due to higher velocities. The maximum laser power density is obtained by the smallest available laser spot size on the target material which is determined by the quality of the laser beam. For many accelerator applications, higher charge state beams are preferred. In particular cases, singly charge ion beams are demanded. Therefore, production of intermediate charge state beams has not been investigated well. In this study, we selected Ta4+ as an example demanded beam and tried to clarify how the transition of charge state distribution depends on laser power density. Conclusively, the possible specification of a laser ion source for Ta4+ delivery was elucidated.

Okamura, Masahiro (ORCID:0000000255521706)↗
DOE OSTI2022

Charge breeders: Development of diagnostic tools to probe the underlying physics

Charge breeders were developed more than 20 years ago in the context of radioactive ion beam (RIB) production. The main goal is to boost the charge state of a singly charged RIB to a higher value matching the A/Q of a post-accelerator. In that way, the RIB produced at some tens of keV can efficiently be accelerated to energies in a range of few MeV/u up to several tens of MeV/u, which is of interest for nuclear structure and nuclear astrophysics experiments. Two families of charge breeders have been developed: one based on Electron Cyclotron Resonance Ion Sources (ECRISs) suitable for Continuous Wave (CW) operation and another built around Electron Beam Ion Sources (EBISs) used for pulsed post-accelerators. For many years, experimental studies have been carried out to enhance the charge breeding process and improve the extracted beam quality, i.e., purity, intensity, emittance, and time structure. The evolution of the charge breeders is also closely related to the emergence of new facilities delivering even more exotic beams. Diagnostic tools, such as Faraday cups, beam profile monitors, and emittance scanners, are mandatory to tune the machines and evaluate their performances. However, to go beyond that, a better understanding of plasma physics (in ECRIS) and electron-ion interactions (in EBIS), as well as the 1+ beam characteristics, for instance, energy spread transverse emittance, is needed. Therefore, simulation codes modeling the physics phenomena in both type of charge breeders were developed to support the understanding of experimental outputs and to gain insights into non-observable parameters. Nevertheless, more sophisticated diagnostic tools are required to improve the charge breeding performance and to extend the potential applications toward new RIB facilities. This Review will present the two kinds of charge breeders and their technical evolutions. It will review the diagnostic tools and simulation codes employed for operation and evaluation of the internal physics processes.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Charge regulation effects on colloidal mixture nanoparticles

Changes in pH within a system containing dissociable sites affect the protonation and deprotonation of these groups, thereby influencing their physical properties. In response, the system modifies their surface charge, affecting electrostatic interactions, aggregation, stability, and structural behavior. Although the pH can be tuned in experiments, it is difficult to model this phenomenon using simulations or theoretical approaches. Here, we perform hybrid Monte Carlo-molecular dynamics simulations to model charge regulation effects in an equimolar colloidal charged system. We compare charge regulation effects with those of a system in which the charges of colloidal nanoparticles are not dissociable. The comparison between the two cases modifies the phase diagram, and it changes the volume fraction where a percolation network of nanoparticles is found. Charge regulation is found to destroy network formation, as the charge in the nanoparticles is modified because of the cooperativity dependency of the degree of charge dissociation sites among the nanoparticles favoring cluster formation. Furthermore, our work suggests that the ionic and/or electronic conductivity in functionalized nanoparticles can be modified by changing pH values. It also guides the experimental design of oppositely charged nanoparticles as inks for 3D printing processes.

Classical statistical mechanics↗
DOE OSTI2021

Modeling nanoparticle charge distribution in the afterglow of non-thermal plasmas and comparison with measurements

Particle charging in the afterglows of non-thermal plasmas typically take place in a non-neutral space charge environment. We model the same by incorporating particle-ion collision rate constant models, developed in prior work by analyzing particle-ion trajectories calculated using Langevin Dynamics simulations, into species transport equations for ions, electrons and charged particles in the afterglow. A scaling analysis of particle charging and additional Langevin Dynamics calculations of the particle-ion collision rate constant are presented to extend the range of applicability to ion electrostatic to thermal energy ratios of 300 and diffusive Knudsen number (that scales inversely with gas pressure) up to 2000. The developed collision rate constant models are first validated by comparing predictions of particle charge against measured values in a stationary, non-thermal DC plasma from past PK-4 campaigns published in Phys. Rev. Lett. 93(8): 085001 and Phys. Rev. E 72(1): 016406). The comparisons reveal excellent agreement within ±35% for particles of radius 0.6,1.0,1.3 μm in the gas pressure range of ~20-150 Pa. The experiments to probe particle charge distributions by Sharma et al. (J. Physics D: Appl. Phys. 53(24): 245204) are modeled using the validated particle-ion collision rate constant models and the calculated charge fractions are compared with measurements. The comparisons reveal that the ion/electron concentration and gas temperature in the afterglow critically influence the particle charge and the predictions are generally in qualitative agreement with the measurements. Along with critical assessment of the modeling assumptions, several recommendations are presented for future experimental design to probe charging in afterglows.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Jet charge with global event shapes: Probing quark flavor dynamics

We propose measuring the jet electric charge of jet regions, defined within the framework of global event shapes, as a probe of quark flavor dynamics within the nucleon and the hadronization process. In particular, we consider a measurement of the jet region charge while simultaneously keeping track of the energy flow throughout the event, as characterized by the global event shape. As a concrete example, we focus on the measurement of the (Q), the jet charge of the jet region (𝐽) defined within the framework of the 1-Jettiness global event shape (𝜏 1 ) for the Deep Inelastic Scattering (DIS) process, 𝑒 − +𝑝→𝑒 − +𝐽+𝑋, with unpolarized or longitudinally polarized protons. The 1-Jettiness distribution, binned according to jet charge, allows for enhanced quark flavor separation of the initial state unpolarized or polarized PDFs. On the other hand, the jet charge distribution binned by 1-Jettiness can serve as a probe of quark flavor dynamics in the final state hadronization process. We derive a factorization theorem for simultaneous measurements of 𝜏 1 and Q in the resummation region, 𝜏 1 ≪𝑃 𝐽 𝑇 , where 𝑃 𝐽 𝑇 denotes the transverse momentum of the jet region. The correlation between the jet region charge and the charge of the struck quark is expected to be the strongest in the resummation region. The factorization theorem contains a new universal , generalizing the standard jet function to include a jet charge measurement. Therefore these universal functions can be extracted from a global analysis of N-jettiness and thrust at 𝑒 + ⁢𝑒 − colliders. We provide simulation studies to demonstrate the sensitivity of the 1-Jettiness jet charge observable to quark flavor dynamics in nucleon structure and explore the possibility of probing the final state hadronization process. This observable is well-suited for applications with existing HERA data and the future Electron-Ion Collider (EIC).

Mantry, Sonny [University of North Georgia, Dahlon↗
DOE OSTI2020

Magnetic breakdown and charge density wave formation: A quantum oscillation study of the rare-earth tritellurides

The rare-earth tritellurides (RTe 3 , where R = La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y) form a charge density wave state consisting of a single unidirectional charge density wave for lighter R, with a second unidirectional charge density wave, perpendicular and in addition to the first, also present at low temperatures for heavier R. In this paper, we present a quantum oscillation study in magnetic fields up to 65T that compares the single charge density wave state with the double charge density wave state both above and below the magnetic breakdown field of the second charge density wave. In the double charge density wave state it is observed that there remain several small, light pockets with the largest occupying around 0.5% of the Brillouin zone. By applying magnetic fields above the independently determined magnetic breakdown field, the quantum oscillation frequencies of the single charge density wave state are recovered, as expected in a magnetic breakdown scenario. Measurements of the electronic effective mass do not show any divergence or significant increase on the pockets of Fermi surface observed here as the putative quantum phase transition between the single and double charge density wave states is approached.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Formal methods approach to the charging facility location problem for battery electric vehicles

Battery electric vehicles (BEVs) are becoming more prevalent as improvements in battery technology and energy management continue to be made. As the number of electric vehicles grows, the demand for fast-charging stations is expected to increase dramatically. Thus, building new charging station infrastructure efficiently will be key to reducing upfront costs while meeting consumer demands. In this work, we propose a method for choosing a set of charging station locations that are optimized based on a set of given common vehicle demand points. As part of this solution, we also offer a novel abstraction of the road network on which energy-efficient paths that account for charge-time delays may be found. The current algorithm chooses the optimal charging locations for a single agent which has a route objective specified using temporal logic. To demonstrate the proposed method, the running example shows how a charging station could be chosen for an electric delivery vehicle. Simulations were run on sample road networks with a given set of demand points to service and potential charging station locations to compare. The method is shown to successfully rank potential charging stations in terms of their expected average charging time cost.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Tracking surface charge dynamics on single nanoparticles

Surface charges play a fundamental role in physics and chemistry, in particular in shaping the catalytic properties of nanomaterials. However, tracking nanoscale surface charge dynamics remains challenging due to the involved length and time scales. Here, we demonstrate time-resolved access to the nanoscale charge dynamics on dielectric nanoparticles using reaction nanoscopy. We present a four-dimensional visualization of the spatiotemporal evolution of the charge density on individual SiO 2 nanoparticles under strong-field irradiation with femtosecond-nanometer resolution. The initially localized surface charges exhibit a biexponential redistribution over time. Our findings reveal the influence of surface charges on surface molecular bonding through quantum dynamical simulations. We performed semi-classical simulations to uncover the roles of diffusion and charge loss in the surface charge redistribution process. Understanding nanoscale surface charge dynamics and its influence on chemical bonding on a single-nanoparticle level unlocks an increased ability to address global needs in renewable energy and advanced health care.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Observation of time-dependent internal charge amplification in a planar germanium detector at cryogenic temperature

For the first time, time-dependent internal charge amplification through impact ionization has been observed in a planar germanium (Ge) detector operated at cryogenic temperature. In a time period of 30 and 45 min after applying a bias voltage, the charge energy corresponding to a baseline of the 59.54 keVγ rays from a 241 Am source is amplified for a short period of time and then decreases back to the baseline. The amplification of charge energy depends strongly on the applied positive bias voltage with drifting holes across the detector. No such phenomenon is visible with drifting electrons across the detector. We find that the observed charge amplification is dictated by the impact ionization of charged states, which has a strong correlation with impurity level and applied electric field. We analyze the dominant physics mechanisms that are responsible for the creation and the impact ionization of charged states. Our analysis suggests that the appropriate level of impurity in a Ge detector can enhance charge yield through the impact ionization of charged states to achieve extremely low-energy detection threshold (< 10 meV) for MeV-scale dark matter searches if the charge amplification can be stabilized.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1973

Two-phase charge-coupled device

A charge-transfer efficiency of 99.99% per stage was achieved in the fat-zero mode of operation of 64- and 128-stage two-phase charge-coupled shift registers at 1.0-MHz clock frequency. The experimental two-phase charge-coupled shift registers were constructed in the form of polysilicon gates overlapped by aluminum gates. The unidirectional signal flow was accomplished by using n-type substrates with 0.5 to 1.0 ohm-cm resistivity in conjunction with a channel oxide thickness of 1000 A for the polysilicon gates and 3000 A for the aluminum gates. The operation of the tested shift registers with fat zero is in good agreement with the free-charge transfer characteristics expected for the tested structures. The charge-transfer losses observed when operating the experimental shift registers without the fat zero are attributed to fast interface state trapping. The analytical part of the report contains a review backed up by an extensive appendix of the free-charge transfer characteristics of CCD's in terms of thermal diffusion, self-induced drift, and fringing field drift. Also, a model was developed for the charge-transfer losses resulting from charge trapping by fast interface states. The proposed model was verified by the operation of the experimental two-phase charge-coupled shift registers.

Kosonocky, W. F.↗
NASA NTRS1999

Simulation of the Universal-Time Diurnal Variation of the Global Electric Circuit Charging Rate

A global lightning model that includes diurnal and annual lightning variation, and total flash density versus latitude for each major land and ocean, has been used as the basis for simulating the global electric circuit charging rate. A particular objective has been to reconcile the difference in amplitude ratios [AR=(max-min)/mean] between global lightning diurnal variation (AR approximately equals 0.8) and the diurnal variation of typical atmospheric potential gradient curves (AR approximately equals 0.35). A constraint on the simulation is that the annual mean charging current should be about 1000 A. The global lightning model shows that negative ground flashes can contribute, at most, about 10-15% of the required current. For the purpose of the charging rate simulation, it was assumed that each ground flash contributes 5 C to the charging process. It was necessary to assume that all electrified clouds contribute to charging by means other than lightning, that the total flash rate can serve as an indirect indicator of the rate of charge transfer, and that oceanic electrified clouds contribute to charging even though they are relatively inefficient in producing lightning. It was also found necessary to add a diurnally invariant charging current component. By trial and error it was found that charging rate diurnal variation curves could be produced with amplitude ratios and general shapes similar to those of the potential gradient diurnal variation curves measured over ocean and arctic regions during voyages of the Carnegie Institute research vessels. The comparisons were made for the northern winter (Nov.-Feb.), the equinox (Mar., Apr., Sept., Oct.), the northern summer (May-Aug.), and the whole year.

Mackerras, David↗
NASA NTRS1999

Simulation of the Universal-Time Diurnal Variation of the Global Electric Circuit Charging Rate

A global lightning model that includes diurnal and annual lightning variation, and total flash density versus latitude for each major land and ocean, has been used as the basis for simulating the global electric circuit charging rate. A particular objective has been to reconcile the difference in amplitude ratios [AR=(max-min)/mean] between global lightning diurnal variation (AR approx. = 0.8) and the diurnal variation of typical atmospheric potential gradient curves (AR approx. = 0.35). A constraint on the simulation is that the annual mean charging current should be about 1000 A. The global lightning model shows that negative ground flashes can contribute, at most, about 10-15% of the required current. For the purpose of the charging rate simulation, it was assumed that each ground flash contributes 5 C to the charging process. It was necessary to assume that all electrified clouds contribute to charging by means other than lightning, that the total flash rate can serve as an indirect indicator of the rate of charge transfer, and that oceanic electrified clouds contribute to charging even though they are relatively inefficient in producing lightning. It was also found necessary to add a diurnally invariant charging current component. By trial and error it was found that charging rate diurnal variation curves in Universal time (UT) could be produced with amplitude ratios and general shapes similar to those of the potential gradient diurnal variation curves measured over ocean and arctic regions during voyages of the Carnegie Institute research vessels.

Mackerras, D.↗
NASA NTRS2003

Electrical Charging of the Clouds of Titan

We have used recent data on graphitic cloud particles in the atmosphere or Titan to compute the electrical charging of the particles (radii ranging from 0.01 microns to 0.26 microns). The charging on the nightside was rather similar to that obtained earlier (Borucki et al, Icarus, 72, 604-622, 1987) except that charge distributions on the particles are now computed and recently obtained cloud particle sizes and density distributions were employed. The negative charge on particles of 0.26 microns peaked at 9 at 150 km altitude. The computations were repeated for the dayside with the addition of photoelectron emission by the particles as a result of the absorption of solar UV radiation. Particles (except the very smallest) now became positively charged with particles of radius 0.26 microns being charged up to +47. Next, very small particles (radii approximately 3 x 10^-4 microns) of polycyclic aromatic hydrocarbons (PAHs) were introduced and treated as sources of negative ions since they could be either neutral or carry one negative charge. Moreover, they are mobile so that they had to be treated like molecular size negative ions although much more massive. They had the effect of substantially reducing the electron densities in the altitude range 190 to 310 km to values less than the negative PAH densities and increasing the peak electron charge on the larger particles. Particles of radius 0.26 microns bore peak charges of plus or minus 47 at altitudes of approximately 250 km. The simulated effect of PAHs on the nightside proved to be much less pronounced; at the peak negative PAH density, it was less than the electron density. The physics governing these results will be discussed.

Borucki, William J.↗