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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Dynamic Manipulation in Piezoresponse Force Microscopy: Creating Nonequilibrium Phases with Large Electromechanical Response

We discuss how domain walls and topological defects in ferroelectric materials have emerged as a powerful tool for functional electronic devices including memory and logic. Similarly, wall interactions and dynamics underpin a broad range of mesoscale phenomena ranging from giant electromechanical responses to memory effects. Exploring the functionalities of individual domain walls, their interactions, and controlled modifications of the domain structures is crucial for applications and fundamental physical studies. However, the dynamic nature of these features severely limits studies of their local physics since application of local biases or pressures in piezoresponse force microscopy induce wall displacement as a primary response. Here, we introduce an approach for the control and modification of domain structures based on automated experimentation, whereby real-space image-based feedback is used to control the tip bias during ferroelectric switching, allowing for modification routes conditioned on domain states under the tip. This automated experiment approach is demonstrated for the exploration of domain wall dynamics and creation of metastable phases with large electromechanical response.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Unraveling the mysterious failure of Cu/SAPO-34 selective catalytic reduction catalysts

Commercial Cu/SAPO-34 selective catalytic reduction (SCR) catalysts have experienced unexpected and quite perplexing failure. Understanding the causes at an atomic level is vital for the synthesis of more robust Cu/SAPO-34 catalysts. Here we show, via application of model catalysts with homogeneously dispersed isolated Cu ions, that Cu transformations resulting from low-temperature hydrothermal aging and ambient temperature storage can be semi-quantitatively probed with 2-dimensional pulsed electron paramagnetic resonance. Coupled with kinetics, additional material characterizations and DFT simulations, we propose the following catalyst deactivation steps: (1) detachment of Cu(II) ions from cationic positions in the form of Cu(OH)2; (2) irreversible hydrolysis of the SAPO-34 framework forming terminal Al species; and (3) interaction between Cu(OH)2 and terminal Al species forming SCR inactive, Cu-aluminate like species. Especially significant is that these reactions are greatly facilitated by condensed water molecules under wet ambient conditions, causing low temperature failure of the commercial Cu/SAPO-34 catalysts.

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

Phonon-engineered extreme thermal conductivity materials

Materials with ultrahigh or low thermal conductivity are desirable for many technological applications, such as thermal management of electronic and photonic devices, heat exchangers, energy converters and thermal insulation. Recent advances in simulation tools (first principles, the atomistic Green’s function and molecular dynamics) and experimental techniques (pump–probe techniques and microfabricated platforms) have led to new insights on phonon transport and scattering in materials and the discovery of new thermal materials, and are enabling the engineering of phonons towards desired thermal properties. Here, we review recent discoveries of both inorganic and organic materials with ultrahigh and low thermal conductivity, highlighting heat-conduction physics, strategies used to change thermal conductivity, and future directions to achieve extreme thermal conductivities in solid-state materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Small-x structure of oxygen and neon isotopes as seen by the Large Hadron Collider

Results on collisions of O-16 nuclei performed at the Relativistic Heavy Ion Collider (RHIC) have been presented for the first time at Quark Matter 2023 by the STAR collaboration. O-16+O-16 collisions are also expected to take place in the near future at the Large Hadron Collider (LHC) at much higher beam energies. We explore the potential of beam-energy-dependent studies for this system to probe small-x dynamics and QCD evolution. We perform 3+1D IP-Glasma simulations to predict the rapidity dependence of the initial geometry of light-ion collisions, focusing on O-16+O-16 and Ne-20+Ne-20 collisions at root s(NN) = 70 GeV and 7 TeV. The choice of Ne-20 is motivated by its strongly elongated geometry, which may respond differently to the effect of the high-energy evolution compared to the more spherical O-16. We find that smearing induced by soft gluon production at high energy causes mild variations in the initial-state eccentricities as a function of the collision energy. These effects could be resolved in future experiments and deserve further investigation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Inferring the temperature profile of the radiative shock in the COAX experiment with shock radiography, Dante, and spectral temperature diagnostics

Predicting and modeling the behavior of experiments with radiation waves propagating through low-density foams require a detailed quantification of the numerous uncertainties present. In regimes where a prominent radiative shock is produced, key dynamical features include the shock position, temperature, and curvature and the spatial distribution and temperature of the corresponding supersonic radiation wave. The COAX experimental platform is designed to constrain numerical models of such a radiative shock propagating through a low-density foam by employing radiography for spatial and shock information, Dante for characterizing the x-ray flux from the indirectly driven target, and a novel spectral diagnostic designed to probe the temperature profile of the wave. In this work, we model COAX with parameterized 2D simulations and a Hohlraum-laser modeling package to study uncertainties in diagnosing the experiment. The inferred temperature profile of the COAX radiation transport experiments has been shown to differ from simulations more than expected from drive uncertainties that have been constrained by simultaneous soft x-ray flux and radiography measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Structural dynamics of laser-ionized cis-stilbene studied by ultrafast electron diffraction

Stilbene has been a model system for studying photoisomerization upon absorption of a UV photon. Although the dynamics of the first excited state have been investigated in great detail, the structural dynamics of cationic states remains largely experimentally unexplored. In this study, the dynamics following ionization via absorption of two UV photons was captured using ultrafast electron diffraction. cis-stilbene (CS) was optically pumped with 267 nm ultraviolet light with two different pump fluences and probed with 3.7 MeV electrons. We compare our experimental results to ab-initio multiple spawning simulations for single-photon excitation and molecular dynamics simulations for ionization in order to separate the contributions from the two channels. We found that with a fluence of 170 mJ cm −2 both the single and two-photon channels are present, while with higher fluence of 280 mJ cm −2 the two-photon channel dominates. We did not observe isomerization of the CS cation and found the main structural motion a to be a vibration of the phenyl rings about the central C–C bond.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Dodging the cosmic curvature to probe the constancy of the speed of light

We develop a new model-independent method to probe the constancy of the speed of light c . In our method, the degeneracy between the cosmic curvature and the speed of light can be eliminated, which makes the test more natural and general. Combining the independent observations of Hubble parameter H ( z ) and luminosity distance d {sub L} ( z ), we use the model-independent smoothing technique, Gaussian processes, to reconstruct them and then detect variation of the speed of light. We find no signal of deviation from the present value of the speed of light c {sub 0}. Moreover, to demonstrate the improvement in probing the constancy of the speed of light from future experiments, we produce a series of simulated data. The Dark Energy Survey will be able to detect Δ c / c {sub 0} ∼ 1% at ∼ 1.5σ confidence level and Δ c / c {sub 0} ∼ 2% at ∼ 3σ confidence level. If the errors are reduced to one-tenth of the expected DES ones, it can detect a Δ c / c {sub 0} ∼ 0.1% variation at ∼ 2σ confidence level.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Quantitative Structure Determination from Experimental Four-Dimensional Scanning Transmission Electron Microscopy via the Scattering Matrix

Considerable inroads have recently been made on algorithms to determine the sample potential from four-dimensional scanning transmission electron microscopy data from thick samples where multiple scattering cannot be neglected. This paper further develops the scattering matrix approach to such structure determination. Through simulation, we demonstrate how this approach can be modified to better handle partial spatial coherence, unknown probe defocus, and information from the dark field region. By combining these developments we reconstruct the electrostatic potential of a monolithic SrTiO 3 crystal showing good quantitative agreement with the expected structure.

4D STEM↗
DOE OSTI2016

Cosmic shear as a probe of galaxy formation physics

Here, we evaluate the potential for current and future cosmic shear measurements from large galaxy surveys to constrain the impact of baryonic physics on the matter power spectrum. We do so using a model-independent parametrization that describes deviations of the matter power spectrum from the dark-matter-only case as a set of principal components that are localized in wavenumber and redshift. We perform forecasts for a variety of current and future data sets, and find that at least ~90 per cent of the constraining power of these data sets is contained in no more than nine principal components. The constraining power of different surveys can be quantified using a figure of merit defined relative to currently available surveys. With this metric, we find that the final Dark Energy Survey data set (DES Y5) and the Hyper Suprime-Cam Survey will be roughly an order of magnitude more powerful than existing data in constraining baryonic effects. Upcoming Stage IV surveys (Large Synoptic Survey Telescope, Euclid , and Wide Field Infrared Survey Telescope ) will improve upon this by a further factor of a few. We show that this conclusion is robust to marginalization over several key systematics. The ultimate power of cosmic shear to constrain galaxy formation is dependent on understanding systematics in the shear measurements at small (sub-arcminute) scales. Lastly, if these systematics can be sufficiently controlled, cosmic shear measurements from DES Y5 and other future surveys have the potential to provide a very clean probe of galaxy formation and to strongly constrain a wide range of predictions from modern hydrodynamical simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Local spectroscopies across the superconductor-insulator transition

We explore the manifestation of quantum fluctuations across the superconductor-insulator transition (SIT) in three different local measurements: the two-particle density of states P(r,ω), compressibility κ(r), and diamagnetic susceptibility χ(r) revealed through their local maps. The map of χ(r) displays growing fluctuations upon increasing temperature as well as upon tuning the quantum tuning parameter g , as expected, but remarkably, these fluctuations persist well below T c as the SIT is approached, indicating the quantum nature of these fluctuations. Here, the map of κ(r) paints a similar picture when tuned via g, but in contrast to χ(r), we find a fundamental difference in its evolution with temperature, providing a complementary local probe to χ(r). P(r,ω), obtained using maximum entropy analytic continuation of Monte Carlo simulations on 2D quantum Josephson junction arrays, shows strongly diminished zero-energy spectral weight in nearly-insulating islands, correlating with regions of suppressed κ(r). We discuss the experimental implications of our results for scanning Josephson spectroscopy, compressibility, and scanning SQUID measurements in the context of quantum fluctuations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Cosmic filaments from cosmic strings

Cosmic strings are generically predicted in many extensions of the Standard Model of particle physics. In this work, we propose a new avenue for detecting cosmic strings through their effect on the filamentary structure in the cosmic web. Using cosmological simulations of the density wake from a cosmic string, we examine a variety of filament structure probes. We show that the largest effect of the cosmic string is an overdensity in the filament distribution around the string wake. The signal from the overdensity is stronger at higher redshift and more robust with a wider field. We analyze the spatial distribution of filaments from a publicly available catalog of filaments built from Sloan digital sky survey galaxies. With existing data, we find no evidence for the presence of a cosmic string wake with string tension parameter $\textit{Gμ}$ above 5 × 10 –6 . However, we project WFIRST will be able to detect a signal from such a wake at the 99% confidence level at redshift $\textit{z}$ = 2, with significantly higher confidence and the possibility of probing lower tensions ($\textit{Gμ}$ ~ 10 –6 ), at $\textit{z}$ = 10. The sensitivity of this method is not competitive with constraints derived from the cosmic microwave background. However, it provides an independent discovery channel at low redshift, which could be a smoking gun in scenarios in which the cosmic microwave background bound can be weakened.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Binary neutron star mergers as a probe of quark-hadron crossover equations of state

It is anticipated that the gravitational radiation detected in future gravitational wave (GW) detectors from binary neutron star (NS) mergers can probe the high-density equation of state (EOS). In this work, we perform the first simulations of binary NS mergers which adopt various parametrizations of the quark-hadron crossover (QHC) EOS. These are constructed from combinations of a hadronic EOS ($n_b$<2 $n_0$) and a quark-matter EOS ($n_b$>5 $n_0$), where $n_b$ and $n_0$ are the baryon number density and the nuclear saturation density, respectively. At the crossover densities (2 $n_0$ < $n_b$ < 5 $n_0$) the QHC EOSs continuously soften, while remaining stiffer than hadronic and first-order phase transition EOSs, achieving the stiffness of strongly correlated quark matter. This enhanced stiffness leads to significantly longer lifetimes of the postmerger NS than that for a pure hadronic EOS. We find a dual nature of these EOSs such that their maximum chirp GW frequencies $f_{\text{max}}$ fall into the category of a soft EOS while the dominant peak frequencies ($f_{\text{peak}}$) of the postmerger stage fall in between that of a soft and stiff hadronic EOS. An observation of this kind of dual nature in the characteristic GW frequencies will provide crucial evidence for the existence of strongly interacting quark matter at the crossover densities for QCD.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Validity of the Born approximation for beyond Gaussian weak lensing observables

Accurate forward modeling of weak lensing (WL) observables from cosmological parameters is necessary for upcoming galaxy surveys. Because WL probes structures in the nonlinear regime, analytical forward modeling is very challenging, if not impossible. Numerical simulations of WL features rely on ray tracing through the outputs of N-body simulations, which requires knowledge of the gravitational potential and accurate solvers for light ray trajectories. A less accurate procedure, based on the Born approximation, only requires knowledge of the density field, and can be implemented more efficiently and at a lower computational cost. In this work, we use simulations to show that deviations of the Born-approximated convergence power spectrum, skewness and kurtosis from their fully ray-traced counterparts are consistent with the smallest nontrivial O(Φ 3 ) post-Born corrections (so-called geodesic and lens-lens terms). Our results imply a cancellation among the larger O(Φ 4 ) (and higher order) terms, consistent with previous analytic work. We also find that cosmological parameter bias induced by the Born-approximated power spectrum is negligible even for a LSST-like survey, once galaxy shape noise is considered. When considering higher order statistics such as the κ skewness and kurtosis, however, we find significant bias of up to 2.5σ. Using the LensTools software suite, we show that the Born approximation saves a factor of 4 in computing time with respect to the full ray tracing in reconstructing the convergence.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Nonlinear Magnetization Dynamics Driven by Strong Terahertz Fields

We present a comprehensive experimental and numerical study of magnetization dynamics in a thin metallic film triggered by single-cycle terahertz pulses of ~20 MV/m electric field amplitude and ~1 ps duration. The experimental dynamics is probed using the femtosecond magneto-optical Kerr effect, and it is reproduced numerically using macrospin simulations. The magnetization dynamics can be decomposed in three distinct processes: a coherent precession of the magnetization around the terahertz magnetic field, an ultrafast demagnetization that suddenly changes the anisotropy of the film, and a uniform precession around the equilibrium effective field that is relaxed on the nanosecond time scale, consistent with a Gilbert damping process. Macrospin simulations quantitatively reproduce the observed dynamics, and allow us to predict that novel nonlinear magnetization dynamics regimes can be attained with existing tabletop terahertz sources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Direct geometric probe of singularities in band structure

A quantum system’s energy landscape may have points where multiple energy surfaces are degenerate and that exhibit singular geometry of the wave function manifold, with major consequences for the system’s properties. Ultracold atoms in optical lattices have been used to indirectly characterize such points in the band structure. Here we measured the non-Abelian transformation produced by transport directly through the singularities. We accelerated atoms along a quasi-momentum trajectory that enters, turns, and then exits the singularities at linear and quadratic band-touching points of a honeycomb lattice. Measurements after transport identified the topological winding numbers of these singularities to be 1 and 2, respectively. Our work introduces a distinct method for probing singularities that enables the study of non-Dirac singularities in ultracold-atom quantum simulators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Localized spin-wave resonance modes of ferromagnetic microstrips in the field of a magnetic probe

Some results of the micromagnetic modeling of forced magnetization oscillations in planar microstrips of NiFe with easy plane anisotropy and Co/Pt with perpendicular easy axis anisotropy in the field of a magnetic spherical probe are considered. It has been shown that the probe field provokes the appearance of a hedgehog–antivortex coupling state in the NiFe strips, due to its lateral components and a skyrmion magnetization state in the Co/Pt layer. These effects destroy spatial magnetization oscillations in the microstrips and lead to the appearance of additional resonances in the spectrum of oscillations corresponding to the modes localized in the probe field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

BISON Investigation of the Effect of the Fuel- Cladding Contact Irregularities on the Peak Cladding Temperature and FCCI Observed in AFC-3A Rodlet 4

The primary objective of this report is to document results of BISON analyses supporting Fuel Cycle Research and Development (FCRD) activities. Specifically, the present report seeks to provide explanation for the microstructural features observed during post irradiation examination of the helium-bonded annular U-10Zr fuel irradiated during the AFC-3A experiment. Post irradiation examination of the AFC-3A rodlet revealed microstructural features indicative of the fuel-cladding chemical interaction (FCCI) at the fuel-cladding interface. Presence of large voids was also observed in the same locations. BISON analyses were performed to examine stress and temperature profiles and to investigate possible correlation between the voids and FCCI. It was found that presence of the large voids lead to a formation of circumferential temperature gradients in the fuel that may have redirected migrating lanthanides to the locations where fuel and cladding are in contact. Resulting localized increase of lanthanide concentration is expected to accelerate FCCI. The results of this work provide important guidance to the post irradiation examination studies. Specifically, the hypothesis of lanthanides being redirected from the voids to the locations where the fuel and the cladding are in contact should be verified by conducting quantitative electron microscopy or Electron Probe Micro-Analyzer (EPMA). The results also highlight the need for computer models capable of simulating lanthanide diffusion in metallic fuel and establish a basis for validation of such models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Hyper-Velocity Nanoparticle Plasma Jet as Fast Probe for Runaway Electrons in Tokamak Disruptions

The large energy focalized deposition of the runaway electron (RE) beam on the first wall can potentially yield to destructive effects on the reactor vessel during the explosive instability of a major disruption in a large tokamak (e.g. RE beam estimation is multi-MA of ~10 MeV energy in ITER.) Impurity injection is seen as an effective way to suppress REs after thermal quench (TQ). Injected material in solid state is advantageous, but it must be in small size grain form, with large surface-to-mass ratio to facilitate its rapid ablation within plasma. However, the results using shattered pellet injection (SPI), a technique aiming to satisfy these condition, indicated that the relatively unexplored RE evolution phases and RE beam-plasma interaction are far from being properly diagnosed and fully understood. We proposed the idea to probe REs with a pulsed power hyper-velocity large-mass nanoparticle plasma jet (NPPJ). NPPJ provides a high specific surface area and swift injection to core, hence fast increase of three basic parameters: 1) the electron density ne (bound and free through ionization, if the cold post-TQ plasma has a still high enough T e ), 2) the effective charge (Z eff ) which rises both the dynamical friction force and plasma resistivity, and, finally, 3) the value of the (Dreicer and critical) threshold E-field above which electrons are accelerated and become REs. But the fast transient phenomena of RE ”seed” creation, RE ”avalanche” multiplication, and RE beam formation and interaction with the background plasma all take place dominantly in the core plasma, where the induction E-field has its maximum. Thus, the RE probe success requires a rapid (1 - 2 ms) injection of sufficient mass able to penetrate through the strong toroidal magnetic field (2 - 5 T) over a long distance (~1 - 2 m) with a large assimilation fraction in the core plasma. As a RE probe, NPPJ is a unique combination of fast response with trigger-to-delivery time of few milliseconds, large mass-velocity (>75 mg at several km/s) and deep injection into post-TQ central plasma. The Objectives of this Category #1 project (concept development) were as follows: 1: We investigated the essential basic physics aspects of creating a plasma with ~10 15 to 10 16 cm -3 boron nitride (BN) NP density suited for a pulsed power plasma gun acceleration to several km/s. We concluded that, for RE NPPJ probe, BN (diameter Ø10 to 100 nm NPs) are in all respects usable. 2: We advanced solutions to get BN NPPJ by adapting FAR-TECH’s technology for C 60 NPPJ. 3: We developed self-consistent models for RE current density j RE (R; t) evolution in the TQ aftermath, with fast and simultaneous increase of n e (R; t) and Z eff (R; t) > 1 upon the specific injection of C 60 (i.e. C ions) and BN NP (i.e. B and N ions), respectively. We showed that prompt post-TQ injection and high velocity are of essence in RE probe diagnostics and suppression. 4: We used the in-house HEM-2D code to simulate the C$_{60}^{q+}$ NPPJ transverse penetration through tokamak-level B-field (BT ~2 to 5 T) and distance (~1 to 2m), with fragmentation of C$_{60}^{q+}$ and developed the algorithm for BN Q+ NPPJ ablative sublimation of BN Q+ NP by the collisions with post-TQ plasma electrons. HEM-2D results indicated that fragmenting C$_{60}^{1+}$ NPPJ penetrates up to ~60 cm in 100 us when injecting at 1.6 ms after TQ and gradually released C 2 fragments and C ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗