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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Perturbation of nanoplastics on biomembranes: molecular insights from neutron scattering

Plastic waste is now pervasive in the environment, breaking down into microplastics and nanoplastics under many environmental conditions. These particles have been found in various ecosystems and even in human tissues, raising significant environmental and health concerns. In this study, we investigated the interaction of polystyrene nanoplastics, with and without surface modifications, on biomembrane structures using contrast-matching small-angle neutron scattering and neutron spin echo spectroscopy. The neutron contrast matching enabled the selective study of biomembranes in the presence of nanoplastics. Two model membranes were employed: a simple zwitterionic bilayer (i.e., dimyristoylphosphatidylcholine [DMPC]) and an Escherichia coli lipid extract as a bacterial membrane model. The results show profound membrane disruptions, including possible thinning, vesicle fragmentation, lipid monolayer formation, and inter-vesicle aggregation, with the more severe effects observed in DMPC membranes. Notably, E. coli membranes exhibited greater resilience, suggesting that natural membranes with diverse lipid compositions may reduce susceptibility to perturbation by extracellular nanoplastics. Here, these findings highlight potential risks posed by environmental nanoplastic particles to biological membranes, with insights into molecular-level interactions and the environmental toxicity of nanoplastics. This work provides a foundation for future studies into nanoplastic–biomembrane interactions and their broader implications for health and environment using neutrons.

Qian, Shuo [Oak Ridge National Laboratory (ORNL), ↗
DOE OSTI2025

Fatty acid foams for nonselective physical removal of microplastics from aqueous solutions

Microplastics (MPs) are pervasive environmental contaminants whose removal from water remains a major challenge due to their small size, chemical diversity, and dynamic surface properties arising from environmental aging/weathering. Here, we present a concept of foam-based separation method that physically traps MPs in the foam phase using microtubular assemblies of 12-hydroxystearic acid. These foams are stabilized by anisotropic fatty acid microtubules formed in the presence of ethanolamine, which jam within the foam channels and suppress fluid drainage thereby enhancing MP retention and foam stability. MPs of different sizes, polymer compositions (including polystyrene, polypropylene, polyethylene terephthalate, and polytetrafluoroethylene), and weathered states were retained in the foam phase without requiring chemical modification or relying on chemical interactions between the fatty acid and MPs. Thermally induced transition of the fatty acid microtubules into nanomicelles above the characteristic phase transition temperature (∼35 °C) enables controlled foam collapse and recovery of trapped MPs. The cumulative removal efficiency can exceed 85% through multiple foaming cycles, matching predictions from a probabilistic retention model. This work shows that foams can provide a simple platform to trap MPs, thus providing a new physical-removal strategy that does not rely on the particles’ chemistry.

Guillot, Kennedy A. [Louisiana State Univ., Baton ↗
DOE OSTI2016

Spectroscopic studies of the mechanism of reversible photodegradation of 1-substituted aminoanthraquinone-doped polymers

The mechanism of reversible photodegradation of 1-substituted aminoanthraquinones doped into poly(methyl methacrylate) and polystyrene is investigated. Time-dependent density functional theory is employed to predict the transition energies and corresponding oscillator strengths of the proposed reversibly and irreversibly damaged dye species. Ultraviolet–visible and Fourier transform infrared (FTIR) spectroscopy are used to characterize which species are present. FTIR spectroscopy indicates that both dye and polymer undergo reversible photodegradation when irradiated with a visible laser. These findings suggest that photodegradation of 1-substituted aminoanthraquinones doped in polymers originates from interactions between dyes and photoinduced thermally degraded polymers, and the metastable product may recover or further degrade irreversibly.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Why many polymers are so fragile: A new perspective

Many polymers exhibit much steeper temperature dependence of their structural relaxation time (higher fragility) than liquids of small molecules, and the mechanism of this unusually high fragility in polymers remains a puzzle. To reveal additional hints for understanding the underlying mechanism, we analyzed correlation of many properties of polymers to their fragility on example of model polymer polystyrene with various molecular weights (MWs). Here, we demonstrate that these correlations work for short chains (oligomers), but fail progressively with increase in MW. Our surprising discovery is that the steepness of the temperature dependence (fragility) of the viscosity that is determined by chain relaxation follows the correlations at all molecular weights. These results suggest that the molecular level relaxation still follows the behavior usual for small molecules even in polymers, and its fragility (chain fragility) falls in the range usual for molecular liquids. It is the segmental relaxation that has this unusually high fragility. We also speculate that many polymers cannot reach an ergodic state on the time scale of segmental dynamics due to chain connectivity and rigidity. This leads to sharper decrease in accessible configurational entropy upon cooling and results in steeper temperature dependence of segmental relaxation. Our proposed scenario provides a new important insight into the specifics of polymer dynamics: the role of ergodicity time and length scale. At the end, we suggest that a similar scenario can be applicable also to other molecular systems with slow intra-molecular degrees of freedom and to chemically complex systems where the time scale of chemical fluctuations can be longer than the time scale of structural relaxation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Numerical simulations of the ablative Rayleigh-Taylor instability in planar inertial-confinement-fusion targets using the FastRad3D code

The ablative Rayleigh-Taylor (RT) instability is a central issue in the performance of laser-accelerated inertial-confinement-fusion targets. Historically, the accurate numerical simulation of this instability has been a challenging task for many radiation hydrodynamics codes, particularly when it comes to capturing the ablatively stabilized region of the linear dispersion spectrum and modeling ab initio perturbations. Here, we present recent results from two-dimensional numerical simulations of the ablative RT instability in planar laser-ablated foils that were performed using the Eulerian code FastRad3D. Our study considers polystyrene, (cryogenic) deuterium-tritium, and beryllium target materials, quarter- and third-micron laser light, and low and high laser intensities. An initial single-mode surface perturbation is modeled in our simulations as a small modulation to the target mass density and the ablative RT growth-rate is calculated from the time history of areal-mass variations once the target reaches a steady-state acceleration. By performing a sequence of such simulations with different perturbation wavelengths, we generate a discrete dispersion spectrum for each of our examples and find that in all cases the linear RT growth-rate γ is well described by an expression of the form γ=α [kg/(1+ϵ kLm)]1/2−βkVa, where k is the perturbation wavenumber, g is the acceleration of the target, Lm is the minimum density scale-length, Va is the ablation velocity, and ϵ is either one or zero. The dimensionless coefficients α and β in the above formula depend on the particular target and laser parameters and are determined from two-dimensional simulation results through the use of a nonlinear curve-fitting procedure. While our findings are generally consistent with those of Betti et al. (Phys. Plasmas 5, 1446 (1998)), the ablative RT growth-rates predicted in this investigation are somewhat smaller than the values previously reported for the same target and laser parameters. It is speculated that differences in the equation-of-state and opacity models are largely responsible for the discrepancy. Resolution of this issue awaits the development of better experimental diagnostics capable of measuring small-wavelength (5–20 μm) perturbation growth due to the ablative RT instability in the linear regime.

Bates, J. W. (ORCID:0000000188087240)↗
DOE OSTI2017

Photon counting phosphorescence lifetime imaging with TimepixCam

TimepixCam is a novel fast optical imager based on an optimized silicon pixel sensor with a thin entrance window, and read out by a Timepix ASIC. The 256 x 256 pixel sensor has a time resolution of 15 ns at a sustained frame rate of 10 Hz. We used this sensor in combination with an image intensifier for wide-field time-correlated single photon counting (TCSPC) imaging. We have characterised the photon detection capabilities of this detector system, and employed it on a wide-field epifluorescence microscope to map phosphorescence decays of various iridium complexes with lifetimes of about 1 μs in 200 μm diameter polystyrene beads.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Tamper indicating gold nanocup plasmonic films

The spectral signature of nanoplasmonic films are both robust and tailorable with optical responses ranging from the visible to the near-infrared. We present the development of flexible, elastomeric nanoplasmonic films consisting of periodic arrays of gold nanocups as tamper indicating films. Gold nanocups have polarization-sensitive optical properties that may be manufactured into films that offer unique advantages for tamper indication. These flexible films can be made quickly and at low-cost using commercially available monodisperse polystyrene nanospheres through self-assembly followed by plasma etching, metal deposition, and lift-off from a sacrificial substrate. Polarization- and angle-dependent optical spectroscopic measurements were performed to characterize the fabricated films. Furthermore, using polarization-sensitive hyperspectral imaging, we demonstrate how these films can be applied to tamper indication and counterfeit resistance applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Plastic scintillators relative gamma-ray light yield measurement

Here we are investigating the inclusion of organotin compounds in polystyrene material to improve plastic scintillators full gamma-ray energy sensitivity with the ultimate goal of achieving spectroscopy. Accurate evaluation of the relative light yield from the newly developed scintillators is crucial to assess merits of compounds and chemical processes used in the scintillators development and assess the scintillation efficiencies of the newly produced scintillators. Full gamma-ray energy peak in the measured gamma-ray spectrum, resulting from total absorption of gamma-ray energy, would be ideal in assessing the relative light yield. However, the significant number of new samples we are producing for investigation lead us to the possibility of using the Compton edge as an alternate spectral feature that can be exploited for expeditious characterization of the relative light yield in plastic scintillators. In this study we present a spectra gain matching approach, using a spectrum rebinning, for accurate relative light yield measurement using the Compton edge.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Path integral Monte Carlo simulations of dense carbon-hydrogen plasmas

Carbon-hydrogen plasmas and hydrocarbon materials are of broad interest to laser shock experimentalists, high energy density physicists, and astrophysicists. Accurate equations of state (EOSs) of hydrocarbons are valuable for various studies from inertial confinement fusion to planetary science. By combining path integral Monte Carlo (PIMC) results at high temperatures and density functional theory molecular dynamics results at lower temperatures, we compute the EOSs for hydrocarbons from simulations performed at 1473 separate (ρ, T)-points distributed over a range of compositions. These methods accurately treat electronic excitation effects with neither adjustable parameter nor experimental input. PIMC is also an accurate simulation method that is capable of treating many-body interaction and nuclear quantum effects at finite temperatures. These methods therefore provide a benchmark-quality EOS that surpasses that of semi-empirical and Thomas-Fermi-based methods in the warm dense matter regime. By comparing our first-principles EOS to the LEOS 5112 model for CH, we validate the specific heat assumptions in this model but suggest that the Grüneisen parameter is too large at low temperatures. Based on our first-principles EOSs, we predict the principal Hugoniot curve of polystyrene to be 2%-5% softer at maximum shock compression than that predicted by orbital-free density functional theory and SESAME 7593. By investigating the atomic structure and chemical bonding of hydrocarbons, we show a drastic decrease in the lifetime of chemical bonds in the pressure interval from 0.4 to 4 megabar. We find the assumption of linear mixing to be valid for describing the EOS and the shock Hugoniot curve of hydrocarbons in the regime of partially ionized atomic liquids. We make predictions of the shock compression of glow-discharge polymers and investigate the effects of oxygen content and C:H ratio on its Hugoniot curve. In conclusion, our full suite of first-principles simulation results may be used to benchmark future theoretical investigations pertaining to hydrocarbon EOSs and should be helpful in guiding the design of future experiments on hydrocarbons in the gigabar regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Experimental validation of thermodynamic mixture rules at extreme pressures and densities

Accurate modeling of a mixed material Equation of State (EOS) at high pressures (~1 to 100 Mbar) is critical for simulating inertial confinement fusion and high energy density systems. Here, this paper presents a comparison of two mixing rule models to the experiment to assess their applicability in this regime. The shock velocities of polystyrene, aluminum, and nickel aluminide (NiAl) were measured at a shock pressure of ~3 TPa (~30 Mbar) on the Omega EP laser facility (Laboratory for Laser Energetics, University of Rochester, New York). The resultant shock velocities were compared to those derived from the RAGE (Eulerian) hydrodynamics code to validate various mixing rules used to construct an EOS for NiAl. The simulated shock transit time through the sample (Al or NiAl) matched the measurements to within the ±45ps measurement uncertainty. The law of partial volume (Amagat) and the law of partial pressure (Dalton) mixture rules provided equally good matches to the NiAl shock data. Other studies showed that the Amagat mixing rule is superior, and we recommend it since our results also show a satisfactory match. In conclusion, the comparable quality of the simulation to data for the Al and NiAl samples implies that a mixture rule can supply an EOS for plasma mixtures with adequate fidelity for simulations where mixing takes place, such as advective mix in an Eulerian code or when two materials are mixed together via diffusion, turbulence, or other physical processes.

36 MATERIALS SCIENCE↗
DOE OSTI2018

High-pressure chemistry of hydrocarbons relevant to planetary interiors and inertial confinement fusion

Diamond formation in polystyrene (C8H8)n, which is laser-compressed and heated to conditions around 150 GPa and 5000 K, has recently been demonstrated in the laboratory [Kraus et al., Nat. Astron. 1, 606–611 (2017)]. Here, we show an extended analysis and comparison to first-principles simulations of the acquired data and their implications for planetary physics and inertial confinement fusion. Moreover, we discuss the advanced diagnostic capabilities of adding high-quality small angle X-ray scattering and spectrally resolved X-ray scattering to the platform, which shows great prospects of precisely studying the kinetics of chemical reactions in dense plasma environments at pressures exceeding 100 GPa.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Absolute Hugoniot measurements for CH foams in the 2–9 Mbar range

Absolute Hugoniot measurements for empty plastic foams at ∼10% of solid polystyrene density and supporting rad-hydro simulation results are reported. Planar foam slabs, ∼400 μm thick and ∼500 μm wide, some of which were covered with a 10 μm solid plastic ablator, were directly driven by 4 ns long Nike krypton-fluoride 248 nm wavelength laser pulses that produced strong shock waves in the foam. The shock and mass velocities in our experiments were up to 104 km/s and 84 km/s, respectively, and the shock pressures up to ∼9 Mbar. The motion of the shock and ablation fronts was recorded using side-on monochromatic x-ray imaging radiography. The steadiness of the observed shock and ablation fronts within ∼1% has been verified. The Hugoniot data inferred from our velocity measurements agree with the predictions of the SESAME and CALEOS equation-of-state models near the highest pressure ∼9 Mbar and density compression ratio ∼5. In the lower pressure range 2–5 Mbar, a lower shock density compression is observed than that predicted by the models. Possible causes for this discrepancy are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Absolute Hugoniot measurements from a spherically convergent shock using x-ray radiography

Here, the canonical high pressure equation of state measurement is to induce a shock wave in the sample material and measure two mechanical properties of the shocked material or shock wave. For accurate measurements, the experiment is normally designed to generate a planar shock which is as steady as possible in space and time, and a single state is measured. A converging shock strengthens as it propagates, so a range of shock pressures is induced in a single experiment. However, equation of state measurements must then account for spatial and temporal gradients. We have used x-ray radiography of spherically converging shocks to determine states along the shock Hugoniot. The radius-time history of the shock, and thus its speed, was measured by radiographing the position of the shock front as a function of time using an x-ray streak camera. The density profile of the shock was then inferred from the x-ray transmission at each instant of time. Simultaneous measurement of the density at the shock front and the shock speed determines an absolute mechanical Hugoniot state. The density profile was reconstructed using the known, unshocked density which strongly constrains the density jump at the shock front. The radiographic configuration and streak camera behavior were treated in detail to reduce systematic errors. Measurements were performed on the Omega and National Ignition Facility lasers, using a hohlraum to induce a spatially uniform drive over the outside of a solid, spherical sample and a laser-heated thermal plasma as an x-ray source for radiography. Absolute shock Hugoniot measurements were demonstrated for carbon-containing samples of different composition and initial density, up to temperatures at which K-shell ionization reduced the opacity behind the shock. Here we present the experimental method using measurements of polystyrene as an example.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Measurement of cryogenic target position and implosion core offsets on OMEGA

Cryogenic target implosions currently performed on the University of Rochester’s OMEGA Laser System are of DT-filled polystyrene shells held at near the triple point temperature (~20 K) inside a cooled shroud that must be retracted from around the target just before the target is illuminated by OMEGA. As a consequence, impulses may be imparted to the target stalk, causing the target to depart from its ideal position centered at the aim point of the laser beams. The positions of cryogenic targets at the start of the laser pulse are determined in this work by comparing the positions of images of the cryogenic target implosion to that of a non-cryogenic target implosion that is accurately centered on the aim point of the beams. Images are from an array of up to five digitally recorded, x-ray pinhole cameras. Positions of the resultant implosion cores are determined along a single line of sight from x-ray images of these cores taken with an x-ray microscope operating in time-integrated mode. The offsets of the cryogenic-target cores relative to the non-cryogenic-target cores are found to have a magnitude and direction consistent with the core forming in the direction of the target offset at the start of the laser pulse. Here, the inferred offsets are therefore consistent to each other within errors. Neutron yields are seen to be affected by target offset although with considerable scatter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Mitigating laser-imprint effects in direct-drive inertial confinement fusion implosions with an above-critical-density foam layer

Low-density foams of low-/mid-Z materials have been previously proposed to mitigate laser imprint for direct-drive inertial confinement fusion (ICF). For foam densities above the critical density of the drive laser, the mechanism of laser-imprint mitigation relies on the reduced growth rate of Rayleigh–Taylor instability because of the increased ablation velocity and density scale length at the ablation surface. Experimental demonstration of this concept has been limited so far to planar-target geometry. The impact of foams on spherical implosions has not yet been explored in experiments. To examine the viability of using an above-critical-density foam layer to mitigate laser-imprint effects in direct-drive ICF implosions on OMEGA, we have performed a series of 2-D DRACO simulations with state-of-the-art physics models, including nonlocal thermal transport, cross-beam energy transfer, and first-principles equation-of-state tables. The simulation results indicate that a 40-μm-thick CH or SiO 2 foam layer with a density of p = 40 mg/cm 3 added to a D2-filled polystyrene (CH) capsule can significantly improve the moderate-adiabat (α ≈ 3) implosion performance. In comparison with the standard CH target implosion, an increase of neutron yield by a factor of 4 to 8 and the recovery of 1-D compression pR are predicted by DRACO simulations for a foam-target surface roughness of σ rms ≤ 0.5 μm. These encouraging results could readily facilitate experimental demonstrations of laser-imprint mitigation with an above-critical-density foam layer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Dispersion of surface-modified, aggregated, fumed silica in polymer nanocomposites

Surface modification of model silica to enhance compatibility in nanocomposites has been widely studied. In addition to model spherical silica, several authors have investigated the impact of surface conditions on compatibility in commercial aggregated carbon black and silica. Here, dispersion is investigated for a series of nanocomposites produced from commercially modified fumed silica mixed with styrene butadiene rubber, polystyrene, and polydimethylsiloxane. Surface modification includes variation in surface hydroxyl content, siloxane, and silane treatment. Qualitatively, hydroxyl groups on the silica surface are considered incompatible with non-polar polymers, while methyl groups are compatible with oleophilic polymers. X-ray scattering was used to analyze the filler aggregate structure before and after dispersion, and the second virial coefficient was used to quantify nanodispersion. The content of surface moieties was determined from Fourier-transform infrared spectroscopy. It is observed that modified silica can display mean field or specific interactions as reflected by the presence of a correlation peak in x-ray scattering. For systems with specific interactions, a critical ordering concentration is observed related to the free energy change for structuring. A van der Waals model was used to model the second virial coefficient as a function of accumulated strain, yielding the excluded volume and an energetic term. The excluded volume could be predicted from the structural information, and the bound polymer layer was directly related to the surface methyl content, whereas the energetic term was found to synergistically depend on both the methyl and hydroxyl surface content.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Fluctuation suppression in microgels by polymer electrolytes

Structural details of thermoresponsive, cationically poly(N-iso-propylacrylamide-co-methacrylamido propyl trimethyl ammonium chloride) microgels and the influence of the anionic electrolyte polystyrene sulfonate (PSS) on the internal structure and dynamics of the cationic microgels have been studied with a combination of small angle neutron scattering (SANS) and neutron spin echo (NSE) spectroscopy. While SANS can yield information on the overall size of the particles and on the typical correlation length inside the particles, studying the segmental polymer dynamics with NSE gives access to more internal details, which only appear due to their effect on the polymer motion. The segmental dynamics of the microgels studied in this paper is to a large extent suppressed by the PSS additive. Possible scenarios of the influence of the polyanions on the microgel structure and dynamics are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗