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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Empirical study of the shape evolution and shape coexistence in Zn, Ge and Se isotopes

The spectra of the isotopes of Zn, Ge and Se in the A = 60 – 80 region of the nuclear landscape display interesting spectral variations with N and Z. At first we study these structures empirically. The state-wise deformation status of each isotope is deduced using the power index formula. The average value of the power index displays the variation with neutron number N. The linear plot of B ( E 2 , 0 1 + → 2 1 + ) versus [ 1 / E ( 2 1 + ) ] for a given Z gives further information on the spectral variation with N. The level energy spectra are used to study the role of the excited bands in the phase transitions and the possible shape co-existence. The common spectral features of the three isotopic chains and some unique features are pointed out from our study and the role of the Nilsson single particle orbits is discussed. A comparison with recent works for Ge and Se isotopes reveals the importance of our empirical studies vis-à-vis the high efficiency experiments and different theoretical interpretations of the shape changes with N and Z and spin.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Assessment of circulation and inter-basin transport in the Salish Sea including Johnstone Strait and Discovery Islands pathways

The Salish Sea consisting of Puget Sound and Georgia Basin in U.S and Canadian waters has been the subject of several independent data collection and modeling studies. However, these interconnected basins and their hydrodynamic interactions have not received attention as a contiguous unit. The Strait of Juan de Fuca is the primary pathway through which Pacific Ocean water enters the Salish Sea but the role played by Johnstone Strait and the complex channels northeast of Vancouver Island, connecting the Salish Sea and the Pacific Ocean, on overall Salish Sea circulation has not been characterized. In this paper we present a modeling-based assessment of the two-layer circulation and transport through the multiple interconnected sub-basins within the Salish Sea including the effect of exchange via Johnstone Strait and Discovery Islands. The Salish Sea Model previously developed using the finite volume community ocean model (FVCOM) was expanded over the continental shelf for this assessment encircling Vancouver Island, including Discovery Islands, Johnstone Strait, Broughton Archipelago and the associated waterways. A computational technique was developed to allow summation of volume fluxes across arbitrary transects through unstructured finite volume cells. Tidally averaged volume fluxes were computed at multiple transects. The results were used to validate the classic model of Circulation in Embracing Sills for Puget Sound and to provide quantitative estimates of the lateral distribution of tidally averaged transport through the system. Sensitivity tests with and without exchanges through Johnstone Strait demonstrate that it is a pathway for Georgia Basin runoff and Fraser River water to exit the Salish Sea and for Pacific Ocean inflow. However the relative impact of this exchange on circulation and flushing in Puget Sound Basin is small.

estuarine circulation↗
DOE OSTI2017

Improved physiologically based pharmacokinetic model for oral exposures to chromium in mice, rats, and humans to address temporal variation and sensitive populations

A physiologically based pharmacokinetic (PBPK) model for hexavalent chromium [Cr(VI)] in mice, rats, and humans developed previously (Kirman et al., 2012, 2013), was updated to reflect an improved understanding of the toxicokinetics of the gastrointestinal tract following oral exposures. Improvements were made to: (1) the reduction model, which describes the pH-dependent reduction of Cr(VI) to Cr(III) in the gastrointestinal tract under both fasted and fed states; (2) drinking water pattern simulations, to better describe dosimetry in rodents under the conditions of the NTP cancer bioassay; and (3) parameterize the model to characterize potentially sensitive human populations. Important species differences, sources of non-linear toxicokinetics, and human variation are identified and discussed within the context of human health risk assessment. - Highlights: • An improved version of the PBPK model for Cr(VI) toxicokinetics was developed. • The model incorporates data collected to fill important data gaps. • Model predictions for specific age groups and sensitive subpopulations are provided. • Implications to human health risk assessment are discussed.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Side-Chain and Ring-Size Effects on Permeability in Artificial Water Channels

Artificial water channels (AWCs) have emerged as a promising framework for stable water permeation, with water transport rates comparable to aquaporins (3.4–40.3 × 10 8 H 2 O/channel/s). In this study, we probe the influence of ring-size and side-chain length on the water permeability observed within a class of AWCs termed ligand-appended pillar[n]arenes (LAPs) that have an adjustable ring-size (m) and side-chain length (n). Through all-atom molecular dynamics simulations, we calculate the permeability of these channels using the collective diffusion model and find their permeabilities. We characterize the mechanistic influence of pillar[n]arene ring-size and side-chain length on the channel water permeability by analyzing the characteristics of the internal permeating water-wire and the surrounding channel structure. We observe that water permeability decreases as a function of increasing ring-size due to increases in hydrophilic contacts between the permeating water-wire and the oxygen groups on the channel wall. Further, we observe an increase in water permeability as a function of side-chain length due to increased partitioning of the channel terminal groups into the hydrophilic blocks of the surrounding bilayer. For the LAP6 channel, with increase in side-chain length, the distance between terminal groups increases and leads to an increase in pore size, thereby enhancing water permeability. In the case of LAP5, as side-chain length increases, the channel displays a compensatory effect between tilt and bend angle due to the flexible side-chains. Such flexibility leads to higher terminal group partitioning in the hydrophilic blocks of the bilayer and extends the permeating water-wire. Furthermore, this increase in water-wire length and hydrophilic block access overcomes the nonmonotonic pore size trend in pillar[5]arene channels.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Atomic-Scale View of Redox Induced Changes for Monolayer MoO x on α-TiO 2 (110) with Chemical-State Sensitivity

Supported molybdenum oxide (MoO x ) plays an important role in catalytic transformations from alcohol dehydrogenation to transesterification. During these reactions, Mo and oxygen surface species undergo structural and chemical changes. A detailed, chemical-state specific, atomic-scale structural analysis of the catalyst under redox conditions is important for improving catalytic properties. In this study, monolayer of MoO x grown on α-TiO 2 (110) by atomic-layer deposition is analyzed by X-ray standing wave (XSW) excited X-ray photoelectron spectroscopy (XPS). The chemical shifts for Mo 2p 3/2 and O 1s peaks are used to distinguish Mo 6+ from Mo 4+ and surface O from bulk O. Excitation of XPS by XSW allows pin-pointing the location of these surface species relative to the underlying substrate lattice. Finally, measured 3D composite atomic density maps for the oxidized and reduced interfaces compare well with our density functional theory models, and collectively create a unique view of the redoxdriven dynamics for this complex catalytic structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

In Situ X-ray Absorption Spectroscopy Study of the Capacity Fading Mechanism in Hybrid Sn 3 O 2 (OH) 2 /Graphite Battery Anode Nanomaterials

In situ x-ray absorption spectroscopy (XAS) of an electrode material under electrochemical control has enabled a detailed examination of the aging mechanism in a hybrid nanomaterial, Sn3O2(OH)2/graphite, that is considered for use as a high capacity lithium-ion battery anode. By the use of an original one-pot solvothermal synthesis technique, Sn3O2(OH)2 nanoparticles were directly deposited on the surface of nano-thin graphite and were charged/discharged in situ for several cycles while XAS spectra at the Sn K-edge were taken. Modeling of collected extended x-ray absorption fine structure (EXAFS) spectra provides detailed information on the Sn-O, Sn-Sn and Sn-Li coordination numbers and atomic distances for each charged and discharged electrode state. Based on the changes in atomic arrangement deduced from the EXAFS fitting results, including the first unambiguous observation of Sn-Li near neighbors, an aging mechanism is proposed in which metallic tin clusters are created surrounded by a highly disordered Li2O shell that is formed on first charge. The metallic tin cluster participates in lithiation and delithiation on the following charge/discharge cycles, however the clusters slowly lose electrical contact with the rest of the electrode and become excluded from further participation in electrochemical reactions, resulting in the reduced capacity of this anode material.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Viscoelastic Properties, Ionic Conductivity, and Materials Design Considerations for Poly(styrene-b-ethylene oxide-b-styrene)-Based Ion Gel Electrolytes

The viscoelastic properties and ionic conductivity of ion gels based on the self-assembly of a poly(styrene-b-ethylene oxide-b-styrene) (SOS) triblock copolymer (M{sub n,S} = 3 kDa, M{sub n,O} = 35 kDa) in the ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([EMI][TFSA]) were investigated over the composition range of 10-50 wt % SOS and the temperature range of 25-160 C. The poly(styrene) (PS) end-blocks associate into micelles, whereas the poly(ethylene oxide) (PEO) midblocks are well-solvated by this ionic liquid. The ion gel with 10 wt % SOS melts at 54 C, with the longest relaxation time exhibiting a similar temperature dependence to that of the viscosity of bulk PS. However, the actual values of the gel relaxation time are more than 4 orders of magnitude larger than the relaxation time of bulk PS. This is attributed to the thermodynamic penalty of pulling PS end-blocks through the PEO/[EMI][TFSA] matrix. Ion gels with 20-50 wt % SOS do not melt and show two plateaus in the storage modulus over the temperature and frequency ranges measured. The one at higher frequencies is that of an entangled network of PEO strands with PS cross-links; the modulus displays a quadratic dependence on polymer weight fraction and agrees with the prediction of linear viscoelastic theory assuming half of the PEO chains are elastically effective. The frequency that separates the two plateaus, {omega}{sub c}, reflects the time scale of PS end-block pull-out. The other plateau at lower frequencies is that of a congested micelle solution with PS cores and PEO coronas, which has a power law dependence on domain spacing similar to diblock melts. The ionic conductivity of the ion gels is compared to PEO homopolymer solutions at similar polymer concentrations; the conductivity is reduced by a factor of 2.1 or less, decreases with increasing PS volume fraction, and follows predictions based on a simple obstruction model. Our collective results allow the formulation of basic design considerations for optimizing the mechanical properties, thermal stability, and ionic conductivity of these gels.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Collective Motions in A = 100-112 Nuclei

With a very high statistics data set with 5.7x10{sup 11} triple and higher fold {gamma} coincidences from the spontaneous fission of {sup 252}Cf, a wealth of fascinating new collective motions in nuclei with A = 100-112 have been observed. Nothing was known previously about one- and two-phonon {gamma}-bands in odd-A nuclei. We discovered the first one-and two- phonon {gamma} vibrational bands in an odd N-even Z nucleus, {sup 105}Mo. The energies of the one- and two- phonon bands in {sup 104}Mo, {sup 105}Mo, {sup 106}Mo and {sup 108}Mo were recently studied and are remarkably similar in energies. The first chiral doublet bands in e-e nuclei were observed in triaxial {sup 106,108}Mo and {sup 110,112}Ru while such chiral band in {sup 108}Ru are perturbed by its {gamma}-soft shape. The experimental evidences, including our recent angular correlation studies are presented along with what these new bands are telling us about the evolving collective structures and deformation in this region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Waves in a bounded quantum plasma with electron exchange-correlation effects

Within a quantum hydrodynamic model, the collective excitations of the quantum plasma with electron exchange-correlation effects in a nano-cylindrical wave guide are studied both analytically and numerically. The influences of the electron exchange-correlation potential, the radius of the wave guide, and the quantum effect on the dispersion properties of the bounded quantum plasma are discussed. Significant frequency-shift induced by the electron exchange-correlation effect, the radius of the wave guide and the quantum correction are observed. It is found that the influence of the electron exchange-correlation, the radius of the wave guide and the quantum correction on the wave modes in a bounded nano-waveguide are strongly coupled.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

{gamma} spectroscopy around doubly magic {sup 48}Ca by heavy-ion transfer reactions

{gamma} spectroscopy of neutron-rich nuclei around {sup 48}Ca is performed by the heavy-ion transfer reaction {sup 48}Ca on {sup 64}Ni at 282 MeV, with the PRISMA-CLARA setup at Legnaro Laboratory. Angular distributions, polarizations and lifetimes analysis probe spin and parities of several excited states, shading lights on their configuration. In the one neutron transfer channels, {sup 49}Ca and {sup 47}Ca, states arising by coupling a single particle to the 3{sup -} phonon of {sup 48}Ca are observed, showing the robustness of nuclear collectivity in rather light systems. The work demonstrates the feasibility of complete in-beam {gamma}-spectroscopy with heavy-ion transfer reactions and provides a method that can be further exploited in the future with heavy targets and radioactive beams.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Collisional and collective effects in two dimensional model for fast-electron transport in refluxing regime

The relativistic laser-driven electron transport in partially or fully ionized matter has been investigated in many recent experiments. The high laser intensity achievable today (up to 10{sup 20} W/cm{sup 2}) allows to generate electron current density above 10{sup 11} A/cm{sup 2}. In this regime, electromagnetic effects start to be dominant over collisional ones. In this context, we have developed a simple 2D model for the fast electron transport accounting for (1) electric effects on the electron penetration range and (2) the electron refluxing in thin foils. We compare our model with those existing in literature and with some recent experimental results on fast electron transport in matter. The model predicts a maximum value for the electron penetration range in the region where the collisional and the resistive effects are comparable.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Current induced domain wall dynamics in the presence of spin orbit torques

Current induced domain wall (DW) motion in perpendicularly magnetized nanostripes in the presence of spin orbit torques is studied. We show using micromagnetic simulations that the direction of the current induced DW motion and the associated DW velocity depend on the relative values of the field like torque (FLT) and the Slonczewski like torques (SLT). The results are well explained by a collective coordinate model which is used to draw a phase diagram of the DW dynamics as a function of the FLT and the SLT. We show that a large increase in the DW velocity can be reached by a proper tuning of both torques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Interference of probabilities in dynamics

A new class of dynamical systems with a preset type of interference of probabilities is introduced. It is obtained from the extension of the Madelung equation by replacing the quantum potential with a specially selected feedback from the Liouville equation. It has been proved that these systems are different from both Newtonian and quantum systems, but they can be useful for modeling spontaneous collective novelty phenomena when emerging outputs are qualitatively different from the weighted sum of individual inputs. Formation of language and fast decision-making process as potential applications of the probability interference is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Open questions on nuclear collective motion

The status of the macroscopic and microscopic description of the collective quadrupole modes is reviewed, where limits due to non-adiabaticity and decoherence are exposed. The microscopic description of the yrast states in vibrator-like nuclei in the framework of the rotating mean field is presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Two datasets are better than one: method of double moments for 3D reconstruction in cryo-EM

Cryo-electron microscopy is a powerful imaging technique for reconstructing three-dimensional molecular structures from noisy tomographic projection images of randomly oriented particles. We introduce a new data fusion framework, termed the method of double moments, which reconstructs molecular structures from two instances of the second-order moment of projection images obtained under distinct orientation distributions: one uniform, the other non-uniform and unknown. We prove that these moments generically uniquely determine the underlying structure, up to a global rotation and reflection, and we develop a convex-relaxation-based algorithm that achieves accurate recovery using only second-order statistics. Our results demonstrate the advantage of collecting and modeling multiple datasets under different experimental conditions, illustrating that leveraging dataset diversity can substantially enhance reconstruction quality in computational imaging tasks.

Kam’s method↗
DOE OSTI2013

Enhancement of NEST capabilities for simulating low-energy recoils in liquid xenon

The Noble Element Simulation Technique (NEST) is an extensive collection of models explaining both the scintillation light and ionization yields of noble elements as a function of particle type (nuclear recoils, electron recoils, alphas), electric field, and incident energy or energy loss (dE/dx). It is packaged as C++ code for Geant4 that implements said models, overriding the default model which does not account for certain complexities, such as the reduction in yields for nuclear recoils (NR) compared to electron recoils (ER). We present in this paper improvements to the existing NEST models and updates to the code which make the package even more realistic and turn it into a more full-fledged Monte Carlo simulation. All available liquid xenon data on NR and ER to date have been taken into consideration in arriving at the current models. Finally and furthermore, NEST addresses the question of the magnitude of the light and charge yields of nuclear recoils, including their electric field dependence, thereby helping to understand the capabilities of liquid xenon detectors for detection or exclusion of a low-mass dark matter WIMP.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Extraction of the non-spin- and spin-transfer isovector responses via the 12 C ⁡( 10 Be, 10 B + 𝛾)⁢ 12 B reaction

The isovector response in 12 B was investigated via the 12 C ⁡( 10 Be, 10 B + 𝛾)⁢ 12 B* reaction at 100⁢𝐴MeV. By utilizing the 𝛾-decay properties of the 1.74 MeV 0 + and 0.718 MeV 1 + states in 10 B, the separate extraction of the non-spin-transfer (Δ⁢𝑆 = 0) and spin-transfer (Δ⁢𝑆 = 1) isovector responses up to an excitation energy of 50 MeV in 12 B in a single measurement is demonstrated. The experimental setup employed the S800 spectrometer to detect and analyze the 10 B ejectiles and the Gamma-Ray Energy Tracking In-beam Nuclear Array (GRETINA) for obtaining the Doppler-reconstructed spectrum for 𝛾 rays emitted in flight by 10 B. A 12 C foil was placed at the pivot point of the spectrograph. Here, the 12 B reaction product was not detected. Contributions from transitions associated with the transfer of different units of angular momentum in the non-spin- and spin-transfer responses were analyzed using a multipole decomposition analysis. The extracted non-spin-dipole (Δ⁢𝑆 = 0, Δ⁢𝐿 = 1) and spin-dipole (Δ⁢𝑆 = 1, Δ⁢𝐿 = 1) responses were found to be consistent with available data from other charge-exchange probes, validating the non-spin- and spin-transfer filters used. While statistical uncertainties and experimental resolutions were relatively large due to the modest intensity of the 10 Be secondary beam, the results show that, with the much higher intensities that will be available at new rare-isotope beam facilities, the ( 10 Be, 10 B + 𝛾) reaction and its Δ⁢𝑇 𝑧 = −1 partner, the ( 10 C, 10 B + 𝛾) reaction, are powerful tools for elucidating the isovector non-spin- and spin-transfer responses in nuclei.

Charge-exchange reactions↗