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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

An alternative viewpoint on the nuclear structure towards 100 Sn: Lifetime measurements in 105 Sn

This work aims at presenting an alternative approach to the long standing problem of the B(E2) values in Sn isotopes in the vicinity of the N=Z double-magic nucleus 100 Sn, until now predominantly measured with relativistic and intermediate-energy Coulomb excitation reactions. The direct measurement of the lifetime of low-lying excited states in odd-even Sn isotopes provides a new and precise guidance for the theoretical description of the nuclear structure in this region. Lifetime measurements have been performed in 105 Sn for the first time with the coincidence Recoil Distance Doppler Shift technique. The lifetime results for the $7/2^+_1$ first excited state and the $11/2^+_1$ state, $2^+ (^{104}$Sn) Ⓧ $v1g_{7/2}$ multiplet member, are discussed in comparison with state-of-the-art shell model and mean field calculations, highlighting the crucial contribution of proton excitation across the core of 100 Sn. The reduced transition probability B(E2) of the $11/2^+_1$ core-coupled state points out an enhanced staggering with respect to the B(E2; $2^+_1$ → $0^+_1$) in the even-mass 104 Sn and 106 Sn isotopes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Suppressed electric quadrupole collectivity in 49 Ti

Single-step Coulomb excitation of 46,48,49,50 Ti is presented. A complete set of E2 matrix elements for the quintuplet of states in 49 Ti, centred on the core excitation, was measured for the first time. A total of nine E2 matrix elements are reported, four of which were previously unknown. $^{49}_{22}$Ti 27 shows a 20% quenching in electric quadrupole transition strength as compared to its semi-magic $^{50}_{22}$Ti 28 neighbour. This 20% quenching, while empirically unprecedented, can be explained with a remarkably simple two-state mixing model, which is also consistent with other ground-state properties such as the magnetic dipole moment and electric quadrupole moment. A connection to nucleon transfer data and the quenching of single-particle strength is also demonstrated. The simplicity of the 49 Ti- 50 Ti pair (i.e., approximate single-j 0 7/2 valence space and isolation of yrast states from non-yrast states) provides a unique opportunity to disentangle otherwise competing effects in the ground-state properties of atomic nuclei, the emergence of collectivity, and the role of proton-neutron interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Coalescence formation of muonic atoms at RHIC

The discovery of exotic muonic atoms, including antimatter hydrogen muonic atoms and kaon muonic atoms, constitutes a milestone in our ability to make and study new forms of matter. Relativistic heavy-ion collisions provide the only likely condition for production and detection of these exotic atoms. Taking Coulomb correlations into account from the time of the fireball freeze-out, which refers to the cessation of hadronic interactions in the high-temperature, high-density region formed after the collision, until the formation of a stable atom has dramatic consequences on the expected yields of these atoms. When the coalescence model with the assumption of quantum wave function localization is applied to the formation of muonic atoms, we find that the atom yields are about two orders of magnitude higher than previously predicted.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Pushing the limits of the periodic table — A review on atomic relativistic electronic structure theory and calculations for the superheavy elements

We review the progress in atomic structure theory with a focus on superheavy elements and their predicted ground state configurations important for an element’s placement in the periodic table. To understand the electronic structure and correlations in the regime of large atomic numbers, it is essential to correctly solve the Dirac equation in strong Coulomb fields, and to take into account quantum electrodynamic effects. We specifically focus on the fundamental difficulties encountered when dealing with the many-particle Dirac equation. We further discuss the possibility for future many-electron atomic structure calculations going beyond the critical nuclear charge $Z_{crit}≈170$, where levels such as the $1s$ shell dive into the negative energy continuum ($E_{nκ} < –m_{e}c^2$). The nature of the resulting Gamow states within a rigged Hilbert space formalism is highlighted.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Synthesis of imidazolium-mediated Poly(benzoxazole) Ionene and composites with ionic liquids as advanced gas separation membranes

We report thermally rearranged (TR) polymers and ionic polymers are two material classes which have been employed in leading gas separation membranes. This work introduces a novel approach of combining the benzoxazole functionality associated with TR polymers with tailorable cationic groups, yielding a new type of imidazolium-mediated poly(benzoxazole) ionene polymer, “Im-PBO-Ionene” with the aim of enhanced CO 2 separation performance. The structural changes exhibited from the Coulombic interactions between the ionene backbone and the “free” ionic liquid (IL) resulted in enhanced gas separation performance, shown in fundamental characterizations, observed through increased diffusivities and more notably, retained high selectivities and 3x or 5x respective increases in CO 2 permeability upon the addition of 1 or 2 equivalents of IL per polymer repeat unit. These new high-performance ionenes demonstrate the versatility of ionene design and potential of the ionene + IL material platform for gas separation membranes with versatile incorporation of sophisticated functional and structural features.

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

Dispersion of modified fumed silica in elastomeric nanocomposites

In polymer nanocomposites, surface modification of silica aggregates can shield Coulombic interactions that inhibit agglomeration and formation of a network of agglomerates. Surface modification is usually achieved with silane coupling agents although carbon-coating during pyrolytic silica production is also possible. Pyrogenic silica with varying surface carbon contents were dispersed in styrene-butadiene (SBR) rubber to explore the impact on hierarchical dispersion, the emergence of meso-scale structures, and the rheological response. Pristine pyrogenic silica aggregates at concentrations above a critical value (related to the Debye screening length) display correlated meso-scale structures and poor filler network formation in rubber nanocomposites due to the presence of silanol groups on the surface. Here, in the present study, flame synthesized silica with sufficient surface carbon monolayers can mitigate the charge repulsion thereby impacting network structural emergence. The impact of the surface carbon on the van der Waals enthalpic attraction, a * , is determined. The van der Waals model for polymer nanocomposites is drawn through an analogy between thermal energy, k B T, and the accumulated strain, γ. The rheological response of the emergent meso-scale structures depends on the surface density of both carbon and silanol groups.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Performance estimation of resonance-enhanced dual-buoy wave energy converter using coupled time-domain simulation

This article presents the modeling methodology and performance evaluation of the resonance-enhanced dual-buoy WEC (Wave Energy Converter) by HEM (hydrodynamic & electro-magnetic) fully-coupled-dynamics time-domain-simulation program. The numerical results are systematically compared with the authors’ 1/6-scale experiment. With a direct-drive linear generator, the WEC consists of dual floating cylinders and a moon-pool between the cylinders, which can utilize three resonance phenomena from moon-pool dynamics as well as heave motions of inner and outer buoys. The contact and friction between the two buoys observed in the experiment are also properly modeled in the time-domain simulation by the Coulomb-friction model. Moon-pool resonance peaks significantly exaggerated in linear potential theory are empirically adjusted through comparisons with measured values. A systematic comparative study between the simulations and experiments with and without PTO (power-take-off) is conducted, and the relative heave displacements/velocities and power outputs are well matched. Then, parametric studies are carried out with the simulation program to determine optimum generator parameters. The performance with various wave conditions is also assessed.

16 TIDAL AND WAVE POWER↗
DOE OSTI2021

Long-living excited states of a 2D diamagnetic exciton

Hydrogenic excited states of a 2D exciton are degenerate. In the presence of a weak magnetic field, the -states with a zero momentum of the center of mass get coupled to the -states with finite momentum of the center of mass. This field-induced coupling leads to a strong modification of the dispersion branches of the exciton spectrum. Namely, the lower branch acquires a shape of a “mexican hat” with a minimum at a finite momentum. At certain magnetic field, exciton branches exhibit a linear crossing, similarly to the spectrum of a 2D electron in the presence of spin–orbit coupling. While spin is not involved, degenerate and states play the role of the spin projections. Lifting of degeneracy due to diamagnetic shifts and deviation of electron–hole attraction from purely Coulomb suppresses the linear crossing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Solid-state polymer magnesium supercapacitor

Here, the present article focuses on the development of a highly ion-conductive, solvent-free, solid-state polymer electrolyte membrane (PEM) via photopolymerization of polyethylene glycol diacrylate (PEGDA) network from its homogeneous melt mixtures containing succinonitrile (SCN) plasticizer and magnesium bis(trifluoromethane sulfonyl) imide Mg(TFSI) 2 salt. The above solid-state Mg-PEM exhibits a Helmholtz electric double-layer capacitor (EDLC) behavior in its supercapacitive symmetric carbonaceous electrode configuration. The electrochemical stability for this PEM membrane (20/40/40 PEGDA/SCN/Mg (TFSI) 2 ) was found to be approximately 3 V from linear sweep voltammetry with a specific capacitance of about 44 F/g from cyclic voltammetry and an energy density of approximately 17 Wh/kg in the 0–2 V range from the constant current density (CCD) experiment. Of particular interest is its excellent capacity retention of over 11,200 cycles, thus tested with the Coulombic efficiency of over 87%. Moreover, the energy density after extensive cycling for 11,200 has increased to approximately 56 Wh/kg at 10 mV/s in the potential range of 0–3 V relative to 17 Wh/kg in the potential range of 0–2 V at the same scan rate, attesting the excellent electrochemical stability and long life of the present Mg-PEM supercapacitor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Electrochemical-driven green recovery of lithium, graphite and cathode from lithium-ion batteries using water

The expected exponential increase in consumption of lithium-ion batteries (LIBs) would pose a unique challenge to the availability of near-critical resources like lithium and graphite in the upcoming decade. In this work, we present a lithium recovery process that utilizes a degradation mechanism, i.e., lithium plating, as a tool to concentrate metallic lithium at the anode/separator interface for convenient extraction at room temperature – using only water. Electrochemical characterization of fast charged (1–6 C) LIBs yielded a maximum capacity fade of 50% over ten cycles. The lithium plating was confirmed via voltage plateau analysis, coulombic efficiency, and DC resistance measurements. A maximum lithium plating condition was observed to exist between 4C and 5C, thereby limiting the energy consumption in the extraction process. Post-mortem film thickness measurement showed an incrementing film deposition with a maximum of 35 µm thickness. SEM and XPS analysis confirmed increasing concentration of a dense dendritic metallic lithium deposition on the anode/separator interface with C-rate. A green recovery process was adopted to extract the concentrated metallic lithium using distilled water. The lithium from the plated film, solid/electrolyte interface (SEI), electrolyte, anode, and cathode, was extracted as salts. A 37% improvement in lithium recoverability was achieved with fast charging under ambient conditions. XPS analysis showed ~92% of lithium yield with no residual lithium in the graphite. In addition, the battery-grade graphite was recovered with 97% purity after heat treatment of the washed anode film, and concentrated transition metals oxides in the cathode to 93% purity for convenient extraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Quantifying lithium loss in amorphous silicon thin-film anodes via titration-gas chromatography

Silicon with a high theoretical capacity (3,579 mAh/g) is a promising anode candidate for lithium-ion batteries. However, commercialization is still impeded by low Coulombic efficiency, caused by solid electrolyte interphase (SEI) formation and trapped lithium (Li)-silicon (Si) alloy during repeated volume change. Quantifying capacity losses from each factor is crucial to formulate rational design strategies for further improvement. In this work, titration-gas chromatography and cryogenic transmission electron microscopy are applied to characterize the evolution of trapped Li-Si alloy and SEI growth in a silicon thin-film anode. It is found that continuous growth of the SEI is the dominant factor for lithium inventory loss during cycling, with only a marginal increase in trapped Li-Si alloy. This study offers a quantitative approach to differentiate Li in the SEI from trapped Li in Li-Si alloy through a silicon thin-film anode, providing unique insights into identifying critical bottlenecks for developing Si anodes.

25 ENERGY STORAGE↗
DOE OSTI2023

Tuning counterion chemistry to reduce carrier localization in doped semiconducting carbon nanotube networks

Understanding and controlling the impact that electrostatic interactions have on the transport of injected charge carriers is important for the utilization of pi-conjugated semiconductors in opto-electronic applications. Here, we explore the impact of dopant chemical and electronic structure on the doping efficacy and charge carrier transport in semiconducting single-walled carbon nanotube (s-SWCNT) networks using molecular charge-transfer dopants based on functionalized icosahedral dodecaborane (DDB) clusters. Calculations indicate that localization of electron density on the DDB core reduces the coulombic interactions that contribute to hole localization in the s-SWCNTs, thereby improving charge carrier transport. The enhanced delocalization produces an increase in the electrical conductivity and thermopower at lower charge carrier densities, yielding enhanced thermoelectric transport and a thermoelectric power factor that surpasses the previous best in class for enriched s-SWCNT thin-film networks. This strategy can be applied broadly across pi-conjugated semiconductors to tune and enhance performance in a variety of energy harvesting devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Investigation of electrode-electrolyte interfaces to enable non-flammable Li-ion batteries operating up to 125°C with liquid electrolyte

Non-flammable and high-temperature stable ionic liquid (IL)-based electrolytes could eliminate catastrophic battery failures and improve battery safety, but their poor electrochemical interaction with the LiNi x Mn y Co z O 2 (NMC) family of cathodes is a long-standing problem due to severe parasitic reactions at high temperature. Understanding surface and bulk structural mechanisms of NMC-type cathodes at elevated operational temperature is of paramount importance to facilitate stable electrochemical performance. Here, we report a non-flammable phosphonium IL-based cell chemistry that offers stable electrode-electrolyte interfaces, leading to electrochemical performance up to 125°C and high-temperature safety. We combine electrochemistry with multimodal X-ray spectroscopy methods to understand interfaces at elevated temperature (100°C). This nanoscale understating enables a proof-of-concept high-temperature cylindrical cell (14500), and the design achieves an average Coulombic efficiency of ≈99.5% up to 300 cycles at 100°C. The results ascertain the significance of depth-dependent degradation at the interface, guiding room-temperature Li-ion technology toward extreme-temperature applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A quantitative assessment of the model form error of friction models across different interface representations for jointed structures

Hysteretic models are widely used to model frictional interactions in joints to recreate experimental behavior. However, it is unclear which models are best suited for fitting or predicting the responses of structures. Here, the present study evaluates 26 friction model/interface representation combinations to quantify the model form error. A Quasi-Static Modal Analysis approach (termed Rayleigh Quotient Nonlinear Modal Analysis) is adopted to calculate the nonlinear system response, and a Multi-Objective Optimization is solved to fit experimental data of the first mode of the Brake-Reuß Beam. Optimized parameters from the first mode are applied to the second and third bending modes to quantify the predictive ability of the models. Formulations for both tracing full hysteresis loops and recreating hysteresis loops from a single loading curve (Masing assumptions) are considered. Smoothly varying models applied to a five patch representation showed the highest flexibility (for fitting mode 1) and good predictive potential (for modes 2 and 3). For a second formulation, which uses 152 frictional elements to represent the interface, the physically motivated spring in series with a Coulomb slip model (elastic dry friction) has high error for fitting mode 1 and performs near the middle for predicting higher modes. For both interface representation, the best fit models are not the most physical, but rather the ones with the most parameters (as expected); however, the more physical models perform somewhat better for predicting the higher modes.

42 ENGINEERING↗
DOE OSTI2023

Fast correlation heating in moderately coupled electron–ion plasmas

If the electrons in a plasma are suddenly heated, the resulting change in Debye shielding causes the ion kinetic energy to quickly increase. For the first time, this correlation heating , which is much faster than collisional energy exchange, is rigorously derived for a moderately coupled, electron–ion plasma. The electron–ion mass ratio is taken to be the smallest parameter in the Bogoliubov–Born–Green–Kirkwood–Yvon hierarchy, smaller even than the reciprocal of the plasma parameter. This ordering differs from conventional kinetic theory by making the electron collision rates faster than the ion plasma frequency, which allows stronger coupling and makes the ion heating a function only of the total energy supplied to the electrons. The calculation uses known formulae for correlations in a two-temperature plasma, for which a new, elementary derivation is presented. Suprathermal ions may be created more rapidly by this mechanism than by ion–electron Coulomb collisions. This means that the use of a femtosecond laser pulse could potentially help to achieve ignition in certain fast ignition approaches to inertial confinement fusion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Numerical simulations of three-dimensional ion crystal dynamics in a Penning trap using the fast multipole method

We simulate the dynamics, including laser cooling, of three-dimensional (3-D) ion crystals confined in a Penning trap using a newly developed molecular dynamics-like code. The numerical integration of the ions’ equations of motion is accelerated using the fast multipole method to calculate the Coulomb interaction between ions, which allows us to efficiently study large ion crystals with thousands of ions. In particular, we show that the simulation time scales linearly with ion number, rather than with the square of the ion number. By treating the ions’ absorption of photons as a Poisson process, we simulate individual photon scattering events to study laser cooling of 3-D ellipsoidal ion crystals. Initial simulations suggest that these crystals can be efficiently cooled to ultracold temperatures, aided by the mixing of the easily cooled axial motional modes with the low frequency planar modes. In our simulations of a spherical crystal of 1000 ions, the planar kinetic energy is cooled to several millikelvin in a few milliseconds while the axial kinetic energy and total potential energy are cooled even further. This suggests that 3-D ion crystals could be well suited as platforms for future quantum science experiments.

Zaris, John (ORCID:0009000196476323)↗
DOE OSTI2024

The collisional particle-in-cell method for the Vlasov–Maxwell–Landau equations

We introduce an extension of the particle-in-cell method that captures the Landau collisional effects in the Vlasov–Maxwell–Landau equations. The method arises from a regularisation of the variational formulation of the Landau equation, leading to a discretisation of the collision operator that conserves mass, charge, momentum and energy, while increasing the (regularised) entropy. The collisional effects appear as a fully deterministic effective force, thus the method does not require any transport–collision splitting. The scheme can be used in arbitrary dimension, and for a general interaction, including the Coulomb case. We validate the scheme on scenarios such as the Landau damping, the two-stream instability and the Weibel instability, demonstrating its effectiveness in the numerical simulation of plasma.

Bailo, Rafael (ORCID:0000000180183799)↗
DOE OSTI2025

Particle-based modelling of axisymmetric tandem mirror devices

In this work, we describe the use of a 1D-2V quasi-neutral hybrid electrostatic PIC with Monte-Carlo Coulomb collisions and non-uniform magnetic field to model the parallel transport and confinement in an axisymmetric tandem mirror device. End-plugs, based on simple-mirrors, are positioned at each end of the device and fueled with neutral beams (25 and 100 keV) to produce a sloshing ion population and increase the density of the end-plugs relative to the central cell. Results show the formation of a potential difference barrier between the central cell and the end-plugs. This potential confines a large fraction of the low energy thermal ions in the central cell which would otherwise be lost in a simple mirror, demonstrating the advantage of the beam-driven tandem mirror configuration relative to simple mirrors. In addition, we explore the effect of end-plug electron temperature on the confinement time of the device and compare it with theoretical estimates. Finally, we discuss the limitations of the code in its present form and describe the next logical steps to improve its predictive capability such as a fully nonlinear Fokker–Planck collision operator, multiply nested flux surface solutions and modeling the exhaust region up to the wall.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗