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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Ion acceleration in shell cylinders irradiated by a short intense laser pulse

The interaction of a short high intensity laser pulse with homo and heterogeneous shell cylinders has been analyzed using particle-in-cell simulations and analytical modeling. We show that the shell cylinder is proficient of accelerating and focusing ions in a narrow region. In the case of shell cylinder, the ion energy exceeds the ion energy for a flat target of the same thickness. The constructed model enables the evaluation of the ion energy and the number of ions in the focusing region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

The Three-dimensional Collapse of a Rapidly Rotating 16 M ⊙ Star

I report on the three-dimensional (3D) hydrodynamic evolution of a rapidly rotating 16 M ⊙ star to iron core collapse. For the first time, I follow the 3D evolution of the angular momentum (AM) distribution in the iron core and convective shell burning regions for the final 10 minutes up to and including gravitational instability and core collapse. In 3D, convective regions show efficient AM transport that leads to an AM profile that differs in shape and magnitude from MESA within a few shell convective turnover timescales. For different progenitor models, such as those with tightly coupled Si/O convective shells, efficient AM transport in 3D simulations could lead to a significantly different AM distribution in the stellar interior affecting estimates of the natal neutron star or black hole spin. The results suggest that 3D AM transport in convective and rotating shell burning regions are critical components in models of massive stars and could qualitatively alter the explosion outcome and inferred compact remnant properties.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2015

Updating the Jovian Proton Radiation Environment - 2015

Since publication in 1983 by N. Divine and H. Garrett, the Jet Propulsion Laboratory's plasma and radiation models have been the design standard for NASA's missions to Jupiter. These models consist of representations of the cold plasma and electrons, the warm and auroral electrons and protons, and the radiation environment (electron, proton, and heavy ions). To date, however, the high-energy proton model has been limited to an L-shell of 12. With the requirement to compute the effects of the high energy protons and other heavy ions on the proposed Europa mission, the extension of the high energy proton model from approximately 12 L-shell to approximately 50 L-shell has become necessary. In particular, a model of the proton environment over that range is required to estimate radiation effects on the solar arrays for the mission. This study describes both the steps taken to extend the original Divine proton model out to an approximately 50 L-shell and the resulting model developed to accomplish that goal. In addition to hydrogen, the oxygen, sulfur, and helium heavy ion environments have also been added between approximately 6 L-shell and approximately 50 L-shell. Finally, selected examples of the model's predictions are presented to illustrate the uses of the tool.

Garrett, Henry↗
NASA NTRS2010

Modification of a Macromechanical Finite-Element Based Model for Impact Analysis of Triaxially-Braided Composites

A macro level finite element-based model has been developed to simulate the mechanical and impact response of triaxially-braided polymer matrix composites. In the analytical model, the triaxial braid architecture is simulated by using four parallel shell elements, each of which is modeled as a laminated composite. For the current analytical approach, each shell element is considered to be a smeared homogeneous material. The commercial transient dynamic finite element code LS-DYNA is used to conduct the simulations, and a continuum damage mechanics model internal to LS-DYNA is used as the material constitutive model. The constitutive model requires stiffness and strength properties of an equivalent unidirectional composite. Simplified micromechanics methods are used to determine the equivalent stiffness properties, and results from coupon level tests on the braided composite are utilized to back out the required strength properties. Simulations of quasi-static coupon tests of several representative braided composites are conducted to demonstrate the correlation of the model. Impact simulations of a represented braided composites are conducted to demonstrate the capability of the model to predict the penetration velocity and damage patterns obtained experimentally.

Goldberg, Robert K.↗
DOE OSTI2016

Transfer of energy between a pair of molecules near a plasmonic core-shell nanoparticle: Tunability and sensing

Our model is applied to the calculation of interaction energy between a pair of dipolar molecules (point dipoles) in the vicinity of a nanoshell monomer with core-shell structure, based on the dipole quasi-electrostatic theory of classical electrodynamics and using the Drude and Maxwell-Garnett model. In other words, this work discusses the intermolecular energy transfer from a donor molecule to an acceptor molecule near a spherical nanoparticle that is important for practical applications like sensing. It is shown that the proximity of plasmonic nanoparticles can have a strong effect on the energy transfer between molecules. In addition to the influence of the size, composition, embedding medium, and the filling fraction of doped particles on the interaction energy, the contribution of the dipolar, quadrupolar, octupolar, hexadecapolar, triakontadipolar, and higher order multipole interactions is presented and analyzed. Briefly, we will show that it is possible to achieve enhanced energy transfer by manipulation of different parameters as mentioned above.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Heterogeneous flexibility can contribute to chromatin segregation in the cell nucleus

The highly and slightly condensed forms of chromatin, heterochromatin and euchromatin, respectively, segregate in the cell nucleus. Heterochromatin is more abundant in the nucleus periphery. Here, in this work, we study the mechanism of heterochromatin segregation by modeling interphase chromosomes as diblock ring copolymers confined in a rigid spherical shell using molecular dynamics simulations. In our model, heterochromatin and euchromatin are distinguished by their bending stiffnesses only, while an interaction potential between the spherical shell and chromatin is used to model lamin-associated proteins. Our simulations indicate that in the absence of attractive interactions between the nuclear shell and the chromatin, most heterochromatin segregates towards the nuclear interior due to the depletion of less flexible heterochromatin segments from the nuclear periphery. This inverted chromatin distribution, which is opposite to the conventional case with heterochromatin dominating at the periphery, is in accord with experimental observations in rod cells. This “inversion” is also found to be independent of the heterochromatin concentration and chromosome number. The chromatin distribution at the periphery found in vivo can be recovered by further increasing the bending stiffness of heterochromatin segments or by turning on attractive interactions between the nuclear shell and heterochromatin. Our results indicate that the bending stiffness of chromatin could be a contributor to chromosome organization along with differential effects of HP ⁢1⁢𝛼-driven phase segregation and of loop extruders and interactions with the nuclear envelope and topological constraints.

biomolecular & subcellular processes↗
DOE OSTI2022

Extensions of a classical mechanics “piston-model” for understanding the impact of asymmetry on ICF implosions: The cases of mode 2, mode 2/1 coupling, time-dependent asymmetry, and the relationship to coast-time

As long suspected, low mode asymmetry in inertially confined fusion (ICF) implosions has been implicated as a performance limiting factor [Casey et al., “Evidence of three-dimensional asymmetries seeded by high-density carbon-ablator nonuniformity in experiments at the national ignition facility,” Phys. Rev. Lett. 126, 025002 (2021)]. Recently a non-linear, but solvable, theory [Hurricane et al., “An analytic asymmetric-piston model for the impact of mode-1 shell asymmetry on ICF implosions,” Phys. Plasmas 27, 062704 (2020)] based upon the simple picture of a pair of asymmetric pistons has generated new insights and provided some practical formulas for estimating the degradation of an implosion due to mode-1 asymmetry and demonstrated a previously unrecognized connection between measured hot-spot drift velocity, nuclear down-scatter ratio asymmetry, and the concept of residual kinetic energy (RKE). Asymmetry of the implosion “shell,” as opposed to asymmetry of the hot-spot, was key to the classical mechanics model because the majority of the kinetic energy in an implosion is carried by the shell. Herein, the two-piston model is extended to a six-piston model in order to capture mode-2 asymmetry and coupling between mode-1 and mode-2. A key result of this new six-piston model is that the weighted harmonic mean of shell areal density is the fundamental quantity that determines the RKE and performance degradations for a three-dimensional implosion. Agreement is found between the scalings coming from the theory and ICF implosion data from the National Ignition Facility and to large ensembles of detailed simulations. The connection between the piston model's dependence upon the radius of peak velocity and coast-time is also highlighted in this paper. Finally, by extending the two-piston model to include time-dependent “swing,” it is shown in the Appendix that the shell asymmetry at the time of stagnation dominates the solution for RKE.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Comparative Pore Structure and Dynamics for Bacterial Microcompartment Shell Protein Assemblies in Sheets or Shells

Bacterial microcompartments (BMCs) are protein-bound organelles found in some bacteria that encapsulate enzymes for enhanced catalytic activity. These compartments spatially sequester enzymes within semipermeable shell proteins, analogous to many membrane-bound organelles. The shell proteins assemble into multimeric tiles; hexamers, trimers, and pentamers, and these tiles self-assemble into larger assemblies with icosahedral symmetry. While icosahedral shells are the predominant form in vivo , the tiles can also form nanoscale cylinders or sheets. The individual multimeric tiles feature central pores that are key to regulating transport across the protein shell. Our primary interest is to quantify pore shape changes in response to alternative component morphologies at the nanoscale. We used molecular modeling tools to develop atomically detailed models for both planar sheets of tiles and curved structures representative of the complete shells found in vivo . Subsequently, these models were animated using classical molecular dynamics simulations. From the resulting trajectories, we analyzed the overall structural stability, water accessibility to individual residues, water residence time, and pore geometry for the hexameric and trimeric protein tiles from the Haliangium ochraceu m model BMC shell. These exhaustive analyses suggest no substantial variation in pore structure or solvent accessibility between the flat and curved shell geometries. We additionally compare our analysis to hydroxyl radical footprinting data to serve as a check against our simulation results, highlighting specific residues where water molecules are bound for a long time. Although with little variation in morphology or water interaction, we propose that the planar and capsular morphology can be used interchangeably when studying permeability through BMC pores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

The effect of cell-size dispersity on the mechanical properties of closed-cell aluminum foam

Highlights: • The effect of cell-size dispersity on the Young’s modulus of foam was investigated through experiments and simulations • Crushing experiments were conducted on 27 foam specimens in order measure the relative Young’s modulus • Three types of numerical models, including monodispersed, bidispersed and polydispersed models were studied • The numerical convergence on the model size for different models was also studied • The difference among numerical results obtained from the three models was insignificant - Abstract: The mechanical properties of open-celled and closed-celled metallic foam are strongly influenced by the cellular microstructure and material properties of the base material from which the foam is made. The present study investigated the microstructure and mechanical properties of ALPORAS closed-cell Al foam. In particular, the effect of cell-size dispersity on the Young's modulus of foam was investigated through crushing experiments and numerical simulations. Crushing experiments were first conducted on two mutually perpendicular directions. Numerical models of varying cell-size dispersity and complexity were subsequently developed, including the monodispersed model that is based on the Kelvin structure, the bidispersed model, and the polydispersed model that is based on the random Laguerre tessellation algorithm. The numerical models were discretized using shell elements, and the simulations were conducted using the ABAQUS finite element method software. Relative Young's moduli with various relative densities were predicted, and the numerical convergence on the model size was studied accordingly. Numerical results obtained from all three numerical models developed were found to overestimate the experimental results by a factor of approximately 3. The difference between the numerical and experimental results can be attributed to the difference in detailed microstructural characteristics. Furthermore, the difference among numerical results obtained from the three models was insignificant.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Ultrafast Three-Dimensional Integrated Imaging of Strain in Core/Shell Semiconductor/Metal Nanostructures

Visualizing the dynamical response of material heterointerfaces is increasingly important for the design of hybrid materials and structures with tailored properties for use in functional devices. In situ characterization of nanoscale heterointerfaces such as metal-semiconductor interfaces, which exhibit a complex interplay between lattice strain, electric potential, and heat transport at subnanosecond time scales, is particularly challenging. Here in this work, we use a laser pump/X-ray probe form of Bragg coherent diffraction imaging (BCDI) to visualize in three-dimension the deformation of the core of a model core/shell semiconductor-metal (ZnO/Ni) nanorod following laser heating of the shell. We observe a rich interplay of radial, axial, and shear deformation modes acting at different time scales that are induced by the strain from the Ni shell. We construct experimentally informed models by directly importing the reconstructed crystal from the ultrafast experiment into a thermo-electromechanical continuum model. The model elucidates the origin of the deformation modes observed experimentally. Our integrated imaging approach represents an invaluable tool to probe strain dynamics across mixed interfaces under operando conditions.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Relativistic blast-wave model for the rapid flux variations of AO 0235+164 and other compact radio sources

A relativistic blast-wave version of a signal-screen model is developed which can adequately explain the details of the flux-density and structural variations of compact extragalactic radio sources. The relativistic motion implied by flux variations is analyzed with respect to the synchrotron spectrum of the BL Lac object AO 0235+164 observed during outbursts, and a signal-screen model for rapidly expanding shells produced by ultrarelativistic blast waves is examined. The approximate observed structure of the blast wave at three stages in its evolution is illustrated, each stage is described, and the model is applied to the flux density outburst in AO 0235+164 observed in late 1975. The results show that a relativistic blast-wave model can in general reproduce the main features of the observed flux variations in compact sources. Some problems with the proposed model are briefly discussed.

Marscher, A. P.↗
NASA NTRS2003

LS-DYNA Implementation of Polymer Matrix Composite Model Under High Strain Rate Impact

A recently developed constitutive model is implemented into LS-DYNA as a user defined material model (UMAT) to characterize the nonlinear strain rate dependent behavior of polymers. By utilizing this model within a micromechanics technique based on a laminate analogy, an algorithm to analyze the strain rate dependent, nonlinear deformation of a fiber reinforced polymer matrix composite is then developed as a UMAT to simulate the response of these composites under high strain rate impact. The models are designed for shell elements in order to ensure computational efficiency. Experimental and numerical stress-strain curves are compared for two representative polymers and a representative polymer matrix composite, with the analytical model predicting the experimental response reasonably well.

Zheng, Xia-Hua↗
NASA NTRS1994

Ignition and combustion characteristics of metallized propellants, phase 2

Secondary atomization and ignition characteristics of aluminum/hydrocarbon gel propellants were investigated. Models of gel droplet shell formation were applied to aluminum/liquid hydrocarbon propellants to examine the effects of solid loading and ultimate particle size on the minimum droplet diameter permitting secondary atomization. A one-dimensional model of a gel-fueled rocket combustion chamber was developed. A model for radiant heat transfer from hot aluminum oxide particles to the chamber walls is included. A two-dimensional, two-phase nozzle code was used to estimate nozzle two-phase losses and overall engine performance.

Mueller, D. C.↗
DOE OSTI2017

Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination

X-ray free-electron lasers (XFELs) provide new opportunities for structure determination of biomolecules, viruses and nanomaterials. With unprecedented peak brilliance and ultra-short pulse duration, XFELs can tolerate higher X-ray doses by exploiting the femtosecond-scale exposure time, and can thus go beyond the resolution limits achieved with conventional X-ray diffraction imaging techniques. Using XFELs, it is possible to collect scattering information from single particles at high resolution, however particle heterogeneity and unknown orientations complicate data merging in three-dimensional space. Using the Linac Coherent Light Source (LCLS), synthetic inorganic nanocrystals with a core–shell architecture were used as a model system for proof-of-principle coherent diffractive single-particle imaging experiments. To deal with the heterogeneity of the core–shell particles, new computational methods have been developed to extract the particle size and orientation from the scattering data to assist data merging. The size distribution agrees with that obtained by electron microscopy and the merged data support a model with a core–shell architecture.

36 MATERIALS SCIENCE↗
NASA NTRS1988

The structure of circumstellar shells

Speckle-interferometric measurements are reported for the brightness distributions of the OH/IR stars OH 26.5 + 0.6 and IRC + 10420 at wavelengths which are near the center of and just outside the 10-micron absorption/emission feature produced by circumstellar dust. For OH 26.5 + 0.6, the angular size within the absorption feature is 0.50 + or - 0.02 arcsec, while the angular size outside the feature is less than 0.2 arcsec. For IRC + 10420, the angular sizes inside and outside the emission feature are both 0.42 + or - 0.02 arcsec. Simple models of the circumstellar shells are calculated which can account for the measured angular sizes and flux distributions of the objects. The models give the wavelength dependence of the opacity of the circumstellar material, which is quite different for the two objects.

Fix, John D.↗
NASA NTRS1984

Mixed Models and Reduction Techniques for Large-Rotation, Nonlinear Analysis of Shells of Revolution with Application to Tires

An effective computational strategy is presented for the large-rotation, nonlinear axisymmetric analysis of shells of revolution. The three key elements of the computational strategy are: (1) use of mixed finite-element models with discontinuous stress resultants at the element interfaces; (2) substantial reduction in the total number of degrees of freedom through the use of a multiple-parameter reduction technique; and (3) reduction in the size of the analysis model through the decomposition of asymmetric loads into symmetric and antisymmetric components coupled with the use of the multiple-parameter reduction technique. The potential of the proposed computational strategy is discussed. Numerical results are presented to demonstrate the high accuracy of the mixed models developed and to show the potential of using the proposed computational strategy for the analysis of tires.

Noor, A. K.↗
NASA NTRS2004

Chandra Observations and Models of the Mixed Morphology Supernova Remnant W44: Global Trends

We report on the Chandra observations of the archetypical mixed morphology (or thermal composite) supernova remnant, W44. As with other mixed morphology remnants, W44's projected center is bright in thermal X-rays. It has an obvious radio shell, but no discernable X-ray shell. In addition, X-ray bright knots dot W44's image. The spectral analysis of the Chandra data show that the remnant s hot, bright projected center is metal-rich and that the bright knots are regions of comparatively elevated elemental abundances. Neon is among the affected elements, suggesting that ejecta contributes to the abundance trends. Furthermore, some of the emitting iron atoms appear to be underionized with respect to the other ions, providing the first potential X-ray evidence for dust destruction in a supernova remnant. We use the Chandra data to test the following explanations for W44's X-ray bright center: 1.) entropy mixing due to bulk mixing or thermal conduction, 2.) evaporation of swept up clouds, and 3.) a metallicity gradient, possibly due to dust destruction and ejecta enrichment. In these tests, we assume that the remnant has evolved beyond the adiabatic evolutionary stage, which explains the X-ray dimness of the shell. The entropy mixed model spectrum was tested against the Chandra spectrum for the remnant's projected center and found to be a good match. The evaporating clouds model was constrained by the finding that the ionization parameters of the bright knots are similar to those of the surrounding regions. While both the entropy mixed and the evaporating clouds models are known to predict centrally bright X-ray morphologies, their predictions fall short of the observed brightness gradient. The resulting brightness gap can be largely filled in by emission from the extra metals in and near the remnant's projected center. The preponderance of evidence (including that drawn from other studies) suggests that W44's remarkable morphology can be attributed to dust destruction and ejecta enrichment within an entropy mixed, adiabatic phase supernova remnant. The Chandra data prompts a new question - by what astrophysical mechanisms are the metals distributed so inhomogeneously in the supernova remnant.

Shelton, R. L.↗