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Results for “Shell effects”

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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Topological structure enhanced nanostructure of high temperature polymer exhibiting more than ten times enhancement of dipolar response

Nanofillers in polymer composites will induce interface regions in the polymer with non-uniform nanostructures which can be approximated as multilayer shells surrounding nanofillers. This paper studies topological nanostructures in polymers that interface with one-dimensional (1-D) and zero-dimensional (0-D) nanofillers. This new class of dielectric polymer nanocomposites involves nanofillers at ultra-low volume loading (< 1 vol percent) that generate large dielectric enhancement. The results show that the dipolar response of polyetherimide, a high temperature dielectric polymer, is increased by more than ten times with ultra-low (0.75 vol %) loading of 1-D nanofillers. The results reveal that 1-D nanofillers induce cylindrical shell-topology in the polymer matrix which is more effective in enhancing the high dielectric constant interfacial region than the spherical shell-topology generated by 0-D fillers. Furthermore, the cylindrical shells generated by 1-D fillers provide much higher dielectric enhancement over a broader interfacial region in the polymer matrix, as compared to the spherical shells induced by 0-D nanofillers.

42 ENGINEERING↗
DOE OSTI2025

Reaction-in-flight neutrons as a diagnostic for hydrodynamical mixing in double shell inertial confinement fusion capsules

We examine reaction-in-flight (RIF) neutrons as diagnostics for hydrodynamical mixing of high-Z shell material into the hotspot of double shell capsules that are designed for the National Ignition Facility. In particular, we consider the effects of different levels of mixing of tungsten shell material into the DT gas on RIF spectra. Using a set of 1D simulations from the radiation hydrodynamic code xRAGE to determine the temperature and density profiles of the mixed W-DT gas, we find that increasing the mass of mix systematically reduces the ratio of RIF neutrons to primary 14 MeV neutrons. The shape of the RIF spectrum also changes with mix, with the predicted spectrum softening in energy with increasing mix.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Linking the Salmonella enterica 1,2-Propanediol Utilization Bacterial Microcompartment Shell to the Enzymatic Core via the Shell Protein PduB

Bacterial microcompartments (MCPs) are protein-based organelles that house the enzymatic machinery for metabolism of niche carbon sources, allowing enteric pathogens to outcompete native microbiota during host colonization. While much progress has been made toward understanding MCP biogenesis, questions still remain regarding the mechanism by which core MCP enzymes are enveloped within the MCP protein shell. Here, we explore the hypothesis that the shell protein PduB is responsible for linking the shell of the 1,2-propanediol utilization (Pdu) MCP from Salmonella enterica serovar Typhimurium LT2 to its enzymatic core. Using fluorescent reporters, we demonstrate that all members of the Pdu enzymatic core are encapsulated in Pdu MCPs. We also demonstrate that PduB is critical for linking the entire Pdu enzyme core to the MCP shell. Using MCP purifications, transmission electron microscopy, and fluorescence microscopy, we find that shell assembly can be decoupled from the enzymatic core, as apparently empty MCPs are formed in Salmonella strains lacking PduB. Mutagenesis studies reveal that PduB is incorporated into the Pdu MCP shell via a conserved, lysine-mediated hydrogen bonding mechanism. Finally, growth assays and system-level pathway modeling reveal that unencapsulated pathway performance is strongly impacted by enzyme concentration, highlighting the importance of minimizing polar effects when conducting these functional assays. Together, these results provide insight into the mechanism of enzyme encapsulation within Pdu MCPs and demonstrate that the process of enzyme encapsulation and shell assembly are separate processes in this system, a finding that will aid future efforts to understand MCP biogenesis.

1, 2-propanediol utilization↗
DOE OSTI2022

Deformation and Fracture Behaviors of Cylindrical Battery Shell During Thermal Runaway

Thermal runaway is one of the catastrophic failure modes of lithium-ion cells. During thermal runaway in cylindrical cells, sidewall shell rupture has been identified as a contributing factor for thermal runaway propagation in battery packs. Herein, the deformation and fracture behaviors of the battery shell during thermal runaway are investigated based on in-situ and ex-situ characterization as well as physics-based modeling. The deformation and fracture modes of the battery shell with/without Carbon Fiber Reinforced Polymer (CFRP) sleeves are identified. In the simulation, the strain introduced by thermal expansion of the system is considered, as well as the thermal and strain rate effects on the plastic stage. The final cell shell modeling is validated by cell thermal runaway tests. Results reveal the quantitative relation between shell deformation behaviors and the pressure and temperature distribution. Both the experiment and model demonstrate the effectiveness of adding a tight-fitting CFRP sleeve around the cell in limiting the side-wall rupture of the shell. The use of CFRP tubes introduces a novel phenomenon in the context of uneven temperature distribution. Results shed light on the mechanistic analysis of a cell side-wall rupture during thermal runaway and provide essential guidance for the next-generation safe battery design.

battery casing↗
DOE OSTI2022

Emergence of an island of extreme nuclear isomerism at high excitation near 208 Pb

Metastable states with $T_{1/2}$ = 8(2) ms in 205Bi and $T_{1/2}$ = 0.22(2) ms in 204 Pb, with ≈ 8 MeV excitation energy and angular momentum ≥ 22 $\hbar$, have been established. These represent, by up to two orders of magnitude, the longest-lived nuclear states above an excitation energy of 7 MeV, ever identified in the nuclear chart. Additionally, the half-life of the 10.17 MeV state in 206 Bi has been determined to be 0.027(2) ms, the next highest value in this highly excited regime. These observations indicate the emergence of an island of extreme nuclear isomerism arising from core-excited configurations at high excitation in the vicinity of the doubly closed-shell nucleus 208 Pb. These results are expected to provide discriminating tests of the effective interactions used in current large-scale shell-model calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Turbulent dynamo action and its effects on the mixing at the convective boundary of an idealized oxygen-burning shell

Convection is one of the most important mixing processes in stellar interiors. Hydrodynamic mass entrainment can bring fresh fuel from neighboring stable layers into a convection zone, modifying the structure and evolution of the star. Because flows in stellar convection zones are highly turbulent, multidimensional hydrodynamic simulations are fundamental to accurately capture the physics of mixing processes. Under some conditions, strong magnetic fields can be sustained by the action of a turbulent dynamo, adding another layer of complexity and possibly altering the dynamics in the convection zone and at its boundaries. In this study, we used our fully compressible S EVEN -L EAGUE H YDRO code to run detailed and highly resolved three-dimensional magnetohydrodynamic simulations of turbulent convection, dynamo amplification, and convective boundary mixing in a simplified setup whose stratification is similar to that of an oxygen-burning shell in a star with an initial mass of 25 M ⊙ . We find that the random stretching of magnetic field lines by fluid motions in the inertial range of the turbulent spectrum (i.e., a small-scale dynamo) naturally amplifies the seed field by several orders of magnitude in a few convective turnover timescales. During the subsequent saturated regime, the magnetic-to-kinetic energy ratio inside the convective shell reaches values as high as 0.33, and the average magnetic field strength is ∼10 10 G. Such strong fields efficiently suppress shear instabilities, which feed the turbulent cascade of kinetic energy, on a wide range of spatial scales. The resulting convective flows are characterized by thread-like structures that extend over a large fraction of the convective shell. The reduced flow speeds and the presence of magnetic fields with strengths up to 60% of the equipartition value at the upper convective boundary diminish the rate of mass entrainment from the stable layer by ≈20% as compared to the purely hydrodynamic case.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

On-shell recursion and holomorphic HQET for heavy quark hadronic resonances

We develop a new theoretical framework for the treatment of heavy quark (HQ) resonances within heavy quark effective theory (HQET). This framework uses on-shell recursion techniques to express the resonant amplitude as a product of on-shell subamplitudes, which allows one to employ a form-factor representation of the hadronic matrix elements and to obtain an HQ expansion, but at the price of introducing complex momenta. We construct a generalized “holomorphic HQET” onto which such complex-momentum matrix elements can be matched, and we show that PT symmetry ensures the Isgur-Wise functions (and the perturbative corrections) become holomorphic functions of the complex recoil parameter with real coefficients. They are thus an analytic continuation of the standard HQET description. This framework admits a HQ hadron (strong decay) width expansion. At second order, we show it is compatible with data for the B12∗$$ {B}_{1(2)}^{\left(\ast \right)} $$ and D12∗$$ {D}_{1(2)}^{\left(\ast \right)} $$ HQ doublets. Taking the B¯→D1∗1−→Dπlν$$ \overline{B}\to \left({D}_1^{\ast}\left({1}^{-}\right)\to D\pi \right) l u $$ system as an example, we compute the holomorphic HQET expansion to first order, as well as the complex-momentum on-shell subamplitudes. A toy numerical study of the resulting differential rates demonstrates that this framework generates HQ resonance lineshapes with large tails, resembling those seen in data.

Manzari, Claudio Andrea↗
DOE OSTI2021

Importance of nuclear quantum effects on the hydration of chloride ion

Path-integral ab initio molecular dynamics (PI-AIMD) calculations have been employed to probe the nature of chloride ion solvation in aqueous solution. Nuclear quantum effects (NQEs) are shown to weaken hydrogen bonding between the chloride anion and the solvation shell of water molecules. As a consequence, the disruptive effect of the anion on the solvent water structure is significantly reduced compared to what is found in the absence of NQEs. Additionally, the chloride hydration structure obtained from PI-AIMD agrees well with information extracted from neutron scattering data. In particular, the observed satellite peak in the hydrogen-chloride-hydrogen triple angular distribution serves as a clear signature of NQEs. The present results suggest that NQEs are likely to play a crucial role in determining the structure of saline solutions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Giant Isotope Effect of Thermal Conductivity in Silicon Nanowires

Isotopically purified semiconductors potentially dissipate heat better than their natural, isotopically mixed counterparts as they have higher thermal conductivity (κ). But the benefit is low for Si at room temperature, amounting to only ~10% higher κ for bulk 28 Si than for bulk natural Si ( nat Si). Here we show that in stark contrast to this bulk behavior, 28 Si (99.92% enriched) nanowires have up to 150% higher κ than nat Si nanowires with similar diameters and surface morphology. Using a first-principles phonon dispersion model, this giant isotope effect is attributed to a mutual enhancement of isotope scattering and surface scattering of phonons in nat Si nanowires, correlated via transmission of phonons to the native amorphous SiO 2 shell. The Letter discovers the strongest isotope effect of κ at room temperature among all materials reported to date and inspires potential applications of isotopically enriched semiconductors in microelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Connecting relativistic density functional theory to microscopic calculations

The development of systematic effective field theories (EFTs) for nuclear forces and advances in solving the nuclear many-body problem have greatly improved our understanding of dense nuclear matter and the structure of finite nuclei. For global nuclear calculations, density functional theories (DFTs) have been developed to reduce the complexity and computational cost required in describing nuclear systems. However, DFT often makes approximations and assumptions about terms included in the functional, which may introduce systematic uncertainties compared to microscopic calculations using EFTs. In this work, we investigate possible avenues of improving nuclear DFT using nonlinear relativistic mean-field (RMF) theory. We explore the impact of RMF model extensions by fitting the nonlinear RMF model to predictions of nuclear matter and selected closed-shell nuclei using four successful chiral EFT Hamiltonians. We find that these model extensions are impactful and important in capturing the physics present within chiral Hamiltonians, particularly for charge radii and neutron skins of closed-shell nuclei. However, there are additional effects that are not captured within the RMF model, particularly within the isoscalar sector of RMF theory. Additional model extensions and the reliability of the nonlinear RMF model are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Predicting the neutrinoless double-β-decay matrix element of 136 Xe using a statistical approach

Calculation of the nuclear matrix elements (NMEs) for double-β decay is of paramount importance for guiding experiments and for analyzing and interpreting the experimental data, especially for the search of the neutrinoless double β decay mode (0v⁢ββ). However, there are currently still large differences between the NME values calculated by different methods, hence a quantification of their uncertainties is very much required. Here, in this paper, we propose a statistical analysis of 0⁢v⁢ββ NME for the 136 Xe isotope, based on the interacting shell model, but using three independent effective Hamiltonians, emphasizing the range of the NMEs' most probable values and its correlations with observables that can be obtained from the existing nuclear data. Consequently, we propose a common probability distribution function for the 0⁢vββ NME, which has a range of (1.55–2.65) at 90% confidence level, with a mean value of 1.99 and a standard deviation of 0.37.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Structure of 30 Mg explored via in-beam γ-ray spectroscopy

In the island of inversion, ground states of neutron-rich sd-shell nuclei exhibit strong admixtures of intruder configurations from the fp shell. The nucleus 30 Mg, located at the boundary of the island of inversion, serves as a cornerstone to track the structural evolution as one approaches this region. Spin-parity assignments for excited states in 30 Mg, especially negative-parity levels, have yet to be established. In the present work, the nuclear structure of 30Mg was investigated by in-beam gamma-ray spectroscopy mainly focusing on firm spin-parity determinations. High-intensity rare-isotope beams of 31 Mg, 32 Mg, 34 Si, and 35 P bombarded a Be target to induce nucleon removal reactions populating states in 30 Mg. Gamma rays were detected by the state-of-the-art gamma-ray tracking array GRETINA. For the direct one-neutron removal reaction, final-state exclusive cross sections and parallel momentum distributions were deduced. Multi-nucleon removal reactions from different projectiles were exploited to gain complementary information. With the aid of the parallel momentum distributions, an updated level scheme with revised spin-parity assignments was constructed. Spectroscopic factors associated with each state were also deduced. Results were confronted with large-scale shell-model calculations using two different effective interactions, showing excellent agreement with the present level scheme. Furthermore, a marked difference in the spectroscopic factors indicates that the full delineation of the transition into the island of inversion remains a challenge for theoretical models.

20 ≤ A ≤ 38↗
DOE OSTI2024

Search for the Migdal effect in liquid xenon with keV-level nuclear recoils

The Migdal effect predicts that a nuclear recoil interaction can be accompanied by atomic ionization, allowing many dark matter direct detection experiments to gain sensitivity to sub-GeV masses. We report the first direct search for the Migdal effect for M- and L-shell electrons in liquid xenon using nuclear recoils produced by tagged neutron scatters. Despite an observed background rate lower than that of expected signals in the region of interest, we do not observe a signal consistent with predictions. We discuss possible explanations, including inaccurate predictions for either the Migdal rate or the signal response in liquid xenon. We comment on the implications for direct dark matter searches and future Migdal characterization efforts. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

In-beam γ-ray spectroscopy of 68 Fe from charge exchange on 68 Co projectiles

Excited states in the neutron-rich nucleus 68 Fe were populated using a 9 Be( 68 Co, 68 Fe + γ)X charge-exchange reaction at 95 MeV/u. The new γ-ray transitions reported here for the first time complement data from β-decay studies and nucleon knockout reactions. In comparison to shell-model calculations with the LNPS effective interaction, two candidate states for the $6$$^{+}_{1}$ level emerge. Here, the distinct population pattern of excited states and the magnitude of the cross section, σ inc = 0.51(6) mb, make this reaction a promising one for future in-beam γ -ray spectroscopy. Reaction calculations with nuclear structure input from a new, locally optimized Hamiltonian, f7j4a, together with general considerations for heavy-ion-induced charge-exchange reactions appear consistent with most of the observations, although challenges remain.

59 ≤ A ≤ 89↗
DOE OSTI2021

The Snell's Law Shell Ionospheric Transfer Function

Ionospheric transfer function (ITF) algorithms determine the effects of the ionosphere on an electromagnetic (EM) radio-frequency (RF) signal as it propagates through. In this report, the Snell’s law shell (slab) model is outlined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

The Bouger's Law Shell Ionospheric Transfer Function

Ionospheric transfer function (ITF) algorithms determine the effects of the ionosphere on an electromagnetic (EM) radio-frequency (RF) signal as it propagates through. In this report, the Bouger’s law shell model is outlined. This ITF is very similar to the Snell’s Law Shell ITF; however, in this formulation, plasma parameters in the ionosphere are allowed to change radially. This algorithm is expressed in the frequency domain. In this way, it is applied as linear time invariant (LTI) filter function. Signals in this report are assumed to have only a single component (i.e. x, y or z in a rectangular coordinate system). Multi-component signals can be treated simply by applying the specific ITF to each component separately.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗