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Results for “charge inversion”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Reversal of Catalytic Material Substrate Selectivity through Partitioning of Polymers in Hierarchically Ordered Virus-like Particle Frameworks

Control over the selectivity of catalytic materials is a topic of growing interest. Virus-like particle (VLP) based materials such as protein macromolecular frameworks (PMFs) are promising for catalytic applications due to their ease of assembly, modular ability to encapsulate a variety of enzymes, and ease of separation from a reaction mixture. Here we demonstrate the reversal of the initially negative material charge through the titration of a positively charged polymer into the material, causing the reversal of guest molecule uptake and enzymatic activity of PMFs. The charge-inverse material partitions a charged enzyme substrate to concentrate the substrate near an enzyme incorporated within the material, generating up to 5.9-fold increases in enzyme activity toward the partitioned substrate over the excluded substrate. Here we also show that the polymer distributes heterogeneously through the material up to a point of saturation and the effects of guest macromolecules on the lattice parameters of PMFs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Inverse Calculation of Burden Distribution Matrix Using B-spline Model Based PDF control in Blast Furnace Burden Charging Process

The inverse calculation of burden distribution matrix (BDM) is one of the most important challenges in the blast furnace operation in iron-making processes. In general, blast furnace consumes 65% of the total energy for the whole steel-making. Focusing on this practical challenge, this article proposes a new burden distribution spatial model in calculating burden charging process, and develops a B-spline approximation-based probability density function (PDF) control algorithm to assign the expected thickness distribution of burden layer and, thus, develops a new method for the required inverse calculation of BDM. First, a novel method for the thickness distribution of burden layer is given using B-spline model to produce an expected distribution shape subjected to a desired tracking within a specific spatial constraint. Then, according to the coexistence of continuous and bounded discrete variables in BDM, a novel hybrid optimization control method by combining integer programming and PDF tracking is further established for the effective inverse calculation of BDM. Finally, the proposed PDF-based iterative inverse calculation of BDM using B-spline models are tested using various data from industrial examples. Furthermore, the simulation results show that the proposed method is well suited to solve the BDM inverse calculation problem in practice.

42 ENGINEERING↗
DOE OSTI2020

Neutrino signal from proto-neutron star evolution: Effects of opacities from charged-current–neutrino interactions and inverse neutron decay

In this work, we investigate the impact of charged-current–neutrino processes on the formation and evolution of neutrino spectra during the deleptonization of proto-neutron stars. To this end we develop the full kinematics of these reaction rates consistent with the nuclear equation of state, including weak magnetism contributions. This allows us to systematically study the impact of inelastic contributions and weak magnetism on the $ν_e$ and $\bar{ν}_e$ luminosities and average energies. Furthermore, we explore the role of the inverse neutron decay, also known as the direct Urca process, on the emitted spectra of $\bar{ν}_e$. This process is commonly considered in the cooling scenario of cold neutron stars but has so far been neglected in the evolution of hot proto-neutron stars. We find that the inverse neutron decay becomes the dominating opacity source for low-energy $\bar{ν}_e$. Accurate three-flavor Boltzmann neutrino transport enables us to relate the magnitude of neutrino fluxes and spectra to details of the treatment of weak processes. This allows us to quantify the corresponding impact on the conditions relevant for the nucleosynthesis in the neutrino-driven wind, which is ejected from the proto-neutron star surface during the deleptonization phase.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Simulations and analysis tools for charge-exchange (d, 2 He) reactions in inverse kinematics with the AT-TPC

Charge-exchange (d, 2 He) reactions in inverse kinematics at intermediate energies are a very promising method to investigate the Gamow–Teller transition strength in unstable nuclei. A simulation and analysis software based on the attpcroot package was developed to study this type of reactions with the active-target time projection chamber (AT-TPC). The simulation routines provide a realistic detector response that can be used to understand and benchmark experimental data. Analysis tools and correction routines can be developed and tested from simulations in ATTPCROOT , because they are processed in the same way as the real data. In particular, we study the feasibility of using coincidences with beam-like particles to unambiguously identify the (d, 2 He) reaction channel, and to develop a kinematic fitting routine for future applications. More technically, the impact of space-charge effects in the track reconstruction, and a possible correction method are investigated in detail. Finally, this analysis and simulation package constitutes an essential part of the software development for the fast-beams program with the AT-TPC.

(d,2He)↗
DOE OSTI2021

The anion exchange properties of AFm (hydrocalumite-group) minerals defined from solubility experiments and crystallographic information

Solubility experiments with binary series of OH-, Cl-, SO{sub 4}- and CO{sub 3}-AFm were re-examined with a non-ideal, multicomponent solid solution model. The electrical double layer on the mineral's outer surface, which neutralizes about 5% of the anionic charge, can be included. The choice of the end-members in the solid solution and the reaction formulation can help to eliminate the ‘non-ideality’ for OH-SO{sub 4} and Cl-OH exchange. CO{sub 3}-Cl-OH exchange is not ideal in the solubility experiments, nor can it be, because the mineral volume is not a linear combination of the end-members. The solubilities of the end-members are related to the anion charge and inversely to the anion-layer thickness. OH is part of the anion-charge, even when a pure, other anion form is the target of the synthesis. Pure OH-AFm is unstable and converts into hydrogarnet and portlandite, depending on the precipitation rate of hydrogarnet.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Nonlinear spectral analysis of ion acoustic solitons arising from a streaming charged object using the numerical inverse scattering transform

Observations of nonlinear coherent plasma phenomena in spacecraft and terrestrial experiments often rely on visual identification of solitary modes because nonlinear coherent modes are broadband in a Fourier transform based analysis. We implement an alternative spectral decomposition known as the inverse scattering transform and demonstrate its ability to successfully isolate nonlinear modes on the homogeneous and forced Korteweg–De Vries equation which models these nonlinear modes. We also demonstrate for the first time that this decomposition is useful when forcing is applied. This is because the stable modes generated by localized forcing are similar to the homogeneous solutions where the inverse scattering transform is a rigorous decomposition. This spectral technique is then applied to simulations of ion acoustic waves generated by a 10 mm spherical debris object interacting with the ionospheric plasma orbiting at 2000 km altitude. The algorithm is found to successfully detect the resultant solitons. This demonstrates the feasibility of using this spectral technique as a real time analysis tool for screening spacecraft data for nonlinear solitary modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

General kinetic ion-induced electron emission model for metallic walls applied to biased Z-pinch electrodes

A kinetic ion-induced electron emission (IIEE) model for general applications is developed to obtain the emitted electron energy spectrum for a distribution of ion impacts on a metallic surface. We assume an ionization cascade mechanism and use empirical models for the ion and electron stopping powers. The emission spectrum and the secondary electron yield (SEY) are validated for a variety of materials. The IIEE model is used to study the effect of IIEE on the plasma-material interactions of Z-pinch electrodes. Un-magnetized Boltzmann-Poisson simulations are performed for a Z-pinch plasma doubly bounded by two biased copper electrodes with and without IIEE at bias potentials from 0 to 9 kV. At the anode, the SEY decreases from 0 to 1 kV, but then increases at higher bias potentials. At the cathode, the SEY is much larger due to higher energy ion bombardment and grows with bias potential. As the bias potential increases, the emitted cathode electrons are accelerated to higher energies into the domain, collisionally heating the plasma. Above 1 kV, the heating is strong enough to increase the plasma potential. Despite SEY greater than 1, only a classical sheath forms as opposed to a space-charge limited or inverse sheath due to the emitted electron flux not reaching the space charge current saturation limits. Furthermore, the current in the emissionless cases saturates to a value lower than experiment. With IIEE, the current does not saturate and continues to increase with the 4 kV case, matching most closely with the experiment.

Carbon based materials↗
DOE OSTI2025

Machine learning inversion from small-angle scattering for charged polymers

We develop Monte Carlo simulations for uniformly charged polymers and a machine learning algorithm to interpret the intra-polymer structure factor of the charged polymer system, which can be obtained from small-angle scattering experiments. The polymer is modeled as a chain of fixed-length bonds, where the connected bonds are subject to bending energy, and there is also a screened Coulomb potential for charge interaction between all joints. The bending energy is determined by the intrinsic bending stiffness, and the charge interaction depends on the interaction strength and screening length. All three contribute to the stiffness of the polymer chain and lead to longer and larger polymer conformations. The screening length also introduces a second length scale for the polymer besides the bending persistence length. To obtain the inverse mapping from the structure factor to these polymer conformation and energy-related parameters, we generate a large data set of structure factors by running simulations for a wide range of polymer energy parameters. We use principal component analysis to investigate the intra-polymer structure factors and determine the feasibility of the inversion using the nearest neighbor distance. We employ Gaussian process regression to achieve the inverse mapping and extract the characteristic parameters of polymers from the structure factor with low relative error.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Four ppm measurement of the antihydrogen ground-state hyperfine splitting

The hydrogen atom is a touchstone for the foundations, evolution and frontiers of quantum theory. Key spectral lines of this atom have been determined to remarkable precision. Our research focuses on the study of antihydrogen, the antimatter counterpart of hydrogen. We test fundamental symmetries of nature (such as simultaneous charge conjugation, parity inversion, and time reversal or CPT symmetry) through precision comparisons of these atomic systems. Recent 1S–2S spectroscopic measurements on trapped antihydrogen have achieved relative precisions of parts per trillion. However, the ground-state hyperfine splitting, which is sensitive to the internal structure of the antiproton, has only been measured to 400 parts per million (ppm). Here we report a 4 ppm measurement of the antihydrogen ground-state hyperfine splitting energy a 1S , advancing the state-of-the-art precision by two orders of magnitude. From microwave spectroscopy experiments with roughly 24,000 anti-atoms, we determine ${a}_{1{\rm{S}}}/h=\mathrm{1,420,404.8}\pm 1.1(\mathrm{stat.})\pm 5.6\,(\mathrm{sys.})\,\text{kHz}$ in a 1-T magnetic field, consistent with expectations for hydrogen. At this level, our measurement is sensitive to the internal structure of the antiproton, which contributes at about 40 ppm and is approaching the limit of existing theoretical analyses. The gains we report are the product of marked advances in magnetic trap field control, stabilization and characterization; anti-atom spin-state manipulation; and improved antihydrogen accumulation rate.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Sheath transitions in a cylindrical filament discharge: Axisymmetric 1D3V PIC-MCC simulations

We present the first nonplanar hot cathode discharge simulations that capture the role of the trapped-ions plasma, elucidating new phenomena unobservable in planar geometric discharges. A discharge struck between a single emitting wire filament cathode and a bounding anode is simulated in cylindrical geometry using an axisymmetric (radial) particle-in-cell Monte-Carlo collisions code. Operating the discharge near its ionization energy threshold can lead to the formation of a two plasma mode (TPM). One plasma forms in the conventional upstream region through electron impact ionization of background neutrals. A second plasma, whose global effect on the discharge was not previously well understood, forms downstream through the trapping of cold ions in the potential well of the filament’s virtual cathode, a process enabled by ion-neutral charge exchange collisions. Three space charge regions intersperse the electrode gap—an emissive sheath between the cathode filament and trapped-ions plasma, a double layer between the two plasmas, and a classical sheath between the upstream plasma and the outer anode. Simulations exhibit mode transitions and quenching instabilities that transform the discharge between the TPM and other single-plasma sheath modes that include classical (temperature-limited), space charge limited, and inverse (anode glow) modes. The transitions are explained via “aid-and-compete” dynamics wherein the growth of one plasma enhances growth in the other while concurrently exhibiting expansion dynamics antagonistic to each other. The system exhibits strong hysteresis memory during the mode transitions. Improved understanding and control of these sheath mode transitions are expected to benefit plasma applications with hot cathodes.

Electrical hysteresis↗
DOE OSTI2022

Neutral to charged kaon yield fluctuations in Pb – Pb collisions at $\sqrt{s_{NN}}$ = 2.76 TeV

We present the first measurement of event-by-event fluctuations in the kaon sector in Pb – Pb collisions at $\sqrt{s_{NN}}$ = 2.76 TeV with the ALICE detector at the LHC. The robust fluctuation correlator νdyn is used to evaluate the magnitude of fluctuations of the relative yields of neutral and charged kaons, as well as the relative yields of charged kaons, as a function of collision centrality and selected kinematic ranges. While the correlator $ν_{dyn}[K^+, K^–]$ exhibits a scaling approximately in inverse proportion of the charged particle multiplicity, $ν_{dyn}[K^0_S, K^±]$ features a significant deviation from such scaling. Within uncertainties, the value of $ν_{dyn}[K^0_S, K^±]$ is independent of the selected transverse momentum interval, while it exhibits a pseudorapidity dependence. The results are compared with HIJING, AMPT and EPOS–LHC predictions, and are further discussed in the context of the possible production of disoriented chiral condensates in central Pb – Pb collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗