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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Laning and clustering transitions in driven binary active matter systems

It is well known that a binary system of nonactive disks that experience driving in opposite directions exhibits jammed, phase separated, disordered, and laning states. In active matter systems, such as a crowd of pedestrians, driving in opposite directions is common and relevant, especially in conditions which are characterized by high pedestrian density and emergency. In such cases, the transition from laning to disordered states may be associated with the onset of a panic state. In this study, we simulate a laning system containing active disks that obey run-and-tumble dynamics, and we measure the drift mobility and structure as a function of run length, disk density, and drift force. The activity of each disk can be quantified based on the correlation timescale of the velocity vector. We find that in some cases, increasing the activity can increase the system mobility by breaking up jammed configurations; however, an activity level that is too high can reduce the mobility by increasing the probability of disk-disk collisions. In the laning state, the increase of activity induces a sharp transition to a disordered strongly fluctuating state with reduced mobility. We identify a novel drive-induced clustered laning state that remains stable even at densities below the activity-induced clustering transition of the undriven system. Lastly, we map out the dynamic phase diagrams highlighting transitions between the different phases as a function of activity, drive, and density.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Robustness of predator-prey models for confinement regime transitions in fusion plasmas

Energy transport and confinement in tokamak fusion plasmas is usually determined by the coupled nonlinear interactions of small-scale drift turbulence and larger scale coherent nonlinear structures, such as zonal flows, together with free energy sources such as temperature gradients. Zero-dimensional models, designed to embody plausible physical narratives for these interactions, can help to identify the origin of enhanced energy confinement and of transitions between confinement regimes. A prime zero-dimensional paradigm is predator-prey or Lotka-Volterra. Here, we extend a successful three-variable (temperature gradient; microturbulence level; one class of coherent structure) model in this genre [M. A. Malkov and P. H. Diamond, Phys. Plasmas 16, 012504 (2009)], by adding a fourth variable representing a second class of coherent structure. This requires a fourth coupled nonlinear ordinary differential equation. We investigate the degree of invariance of the phenomenology generated by the model of Malkov and Diamond, given this additional physics. We study and compare the long-time behaviour of the three-equation and four-equation systems, their evolution towards the final state, and their attractive fixed points and limit cycles. We explore the sensitivity of paths to attractors. It is found that, for example, an attractive fixed point of the three-equation system can become a limit cycle of the four-equation system. Addressing these questions which we together refer to as 'robustness' for convenience is particularly important for models which, as here, generate sharp transitions in the values of system variables which may replicate some key features of confinement transitions. Our results help to establish the robustness of the zero-dimensional model approach to capturing observed confinement phenomenology in tokamak fusion plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2006

Observations of Precipitation Size and Fall Speed Characteristics within Coexisting Rain and Wet Snow

Ground-based measurements of particle size and fall speed distributions using a Particle Size and Velocity (PARSIVEL) disdrometer are compa red among samples obtained in mixed precipitation (rain and wet snow) and rain in the Oregon Cascade Mountains and in dry snow in the Rock y Mountains of Colorado. Coexisting rain and snow particles are distinguished using a classification method based on their size and fall sp eed properties. The bimodal distribution of the particles' joint fall speed-size characteristics at air temperatures from 0.5 to 0 C suggests that wet-snow particles quickly make a transition to rain once mel ting has progressed sufficiently. As air temperatures increase to 1.5 C, the reduction in the number of very large aggregates with a diame ter > 10 mm coincides with the appearance of rain particles larger than 6 mm. In this setting. very large raindrops appear to be the result of aggregates melting with minimal breakup rather than formation by c oalescence. In contrast to dry snow and rain, the fall speed for wet snow has a much weaker correlation between increasing size and increasing fall speed. Wet snow has a larger standard deviation of fall spee d (120%-230% relative to dry snow) for a given particle size. The ave rage fall speed for observed wet-snow particles with a diameter great er than or equal to 2.4 mm is 2 m/s with a standard deviation of 0.8 m/s. The large standard deviation is likely related to the coexistence of particles of similar physical size with different percentages of melting. These results suggest that different particle sizes are not required for aggregation since wet-snow particles of the same size can have different fall speeds. Given the large standard deviation of fa ll speeds in wet snow, the collision efficiency for wet snow is likely larger than that of dry snow. For particle sizes between 1 and 10 mm in diameter within mixed precipitation, rain constituted I % of the particles by volume within the isothermal layer at 0 C and 4% of the particles by volume for the region just below the isothermal layer where air temperatures rise from 0" to 0.5"C. As air temperatures increa sed above 0.5 C, the relative proportions of rain versus snow particl es shift dramatically and raindrops become dominant. The value of 0.5 C for the sharp transition in volume fraction from snow to rain is sl ightly lower than the range from 1 .l to 1.7 C often used in hydrolog ical models.

Yuter, Sandra E.↗
DOE OSTI2020

Kirigami Engineering—Nanoscale Structures Exhibiting a Range of Controllable 3D Configurations

Abstract Kirigami structures provide a promising approach to transform flat films into 3D complex structures that are difficult to achieve by conventional fabrication approaches. By designing the cutting geometry, it is shown that distinct buckling‐induced out‐of‐plane configurations can be obtained, separated by a sharp transition characterized by a critical geometric dimension of the structures. In situ electron microscopy experiments reveal the effect of the ratio between the in‐plane cut size and film thickness on out‐of‐plane configurations. Moreover, geometrically nonlinear finite element analyses (FEA) accurately predict the out‐of‐plane modes measured experimentally, their transition as a function of cut geometry, and provide the stress–strain response of the kirigami structures. The combined computational–experimental approach and results reported here represent a step forward in the characterization of thin films experiencing buckling‐induced out‐of‐plane shape transformations and provide a path to control 3D configurations of micro‐ and nanoscale buckling‐induced kirigami structures. The out‐of‐plane configurations promise great utility in the creation of micro‐ and nanoscale systems that can harness such structural behavior, such as optical scanning micromirrors, novel actuators, and nanorobotics. This work is of particular significance as the kirigami dimensions approach the sub‐micrometer scale which is challenging to achieve with conventional micro‐electromechanical system technologies.

Zhang, Xu↗
DOE OSTI2020

Nonuniform Ionic and Electronic Transport of Ceramic and Polymer/Ceramic Hybrid Electrolyte by Nanometer-Scale Operando Imaging for Solid-State Battery

Replacing the liquid electrolyte in lithium batteries with solid-state ion conductor is promising for next-generation energy storage that is safe and has high energy density. In this work, nanometer-resolution ionic and electronic transport imaging of Li 3 PS 4 (LPS), a solid-state electrolyte (SSE), is reported. This nm resolution is achieved by using a logarithm-scale current amplifier that enhances the current sensitivity to the fA range. Large fluctuations of ion current—one to two orders of magnitude on the LPS and on the LPS region of a polymer/LPS bulk hybrid SSE—that must be mitigated to eliminate Li dendrite formation and growth, are found. This ion current fluctuation is understood in terms of highly anisotropic transport kinetic barriers along the different crystalline axes due to different grain orientations in the polycrystalline and glass ceramic materials. The results on the bulk hybrid SSE show a sharp transition of ionic and electronic transport at the LPS/polymer boundary and decreases in average ionic current with decreasing polyimine particle size and with extensive cycling. The results elucidate the mechanism of polyimine extension into interparticles to prevent Li dendrite growth. This work opens up novel characterization of charge transport, which relates to Li plating and stripping for solid-state-batteries.

Li3PS4↗
DOE OSTI2021

A Sparse-Grid Probabilistic Scheme for Approximation of the Runaway Probability of Electrons in Fusion Tokamak Simulation

Runaway electrons (RE) generated during magnetic disruptions present a major threat to the safe operation of plasma nuclear fusion reactors. A critical aspect of understanding RE dynamics is to calculate the runaway probability, i.e., the probability that an electron in the phase space will runaway on, or before, a prescribed time. Such probability can be obtained by solving the adjoint equation of the underlying Fokker-Planck equation that controls the electron dynamics. In this effort, we present a sparse-grid probabilistic scheme for computing the runaway probability. The key ingredient of our approach is to represent the solution of the adjoint equation as a conditional expectation, such that discretizing the differential operator reduces to the approximation of a set of integrals. Adaptive sparse grid interpolation is utilized to approximate the map from the phase space to the runaway probability. The main novelties of this effort are the integration of the sparse-grid method into the probabilistic numerical scheme for computing escape probability, and the application of the proposed method in computing RE probabilities. Two numerical examples are given to illustrate that the proposed method can achieve O(Δt) convergence, and that the local anisotropic adaptive refinement strategy (M. Stoyanov, Adaptive sparse grid construction in a context of local anisotropy and multiple hierarchical parents. In: Sparse Grids and Applications-Miami 2016, Springer, Berlin, 2018, pp. 175–199) can effectively handle the sharp transition layer between the runaway and non-runaway regions.

Yang, Minglei↗
DOE OSTI2022

Baryogenesis from ultra-slow-roll inflation

The ultra-slow-roll (USR) inflation represents a class of single-field models with sharp deceleration of the rolling dynamics on small scales, leading to a significantly enhanced power spectrum of the curvature perturbations and primordial black hole (PBH) formation. Such a sharp transition of the inflationary background can trigger the coherent motion of scalar condensates with effective potentials governed by the rolling rate of the inflation field. We show that a scalar condensate carrying (a combination of) baryon or lepton number can achieve successful baryogenesis through the Affleck-Dine mechanism from unconventional initial conditions excited by the USR transition. Viable parameter space for creating the correct baryon asymmetry of the Universe naturally incorporates the specific limit for PBHs to contribute significantly to dark matter, shedding light on the cosmic coincidence problem between the baryon and dark matter densities today.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Scattering strings off quantum extremal surfaces

We consider a Hayden & Preskill like setup for both maximally chaotic and sub-maximally chaotic quantum field theories. We act on the vacuum with an operator in a Rindler like wedge R and transfer a small subregion I of R to the other wedge. The chaotic scrambling dynamics of the QFT Rindler time evolution reveals the information in the other wedge. The holographic dual of this process involves a particle excitation falling into the bulk and crossing into the entanglement wedge of the complement to r = R\I. With the goal of studying the locality of the emergent holographic theory we compute various quantum information measures on the boundary that tell us when the particle has entered this entanglement wedge. In a maximally chaotic theory, these measures indicate a sharp transition where the particle enters the wedge exactly when the insertion is null separated from the quantum extremal surface for r. For sub-maximally chaotic theories, we find a smoothed crossover at a delayed time given in terms of the smaller Lyapunov exponent and dependent on the time-smearing scale of the probe excitation. The information quantities that we consider include the full vacuum modular energy R\I as well as the fidelity between the state with the particle and the state without. Along the way, we find a new explicit formula for the modular Hamiltonian of two intervals in an arbitrary 1+1 dimensional CFT to leading order in the small cross ratio limit. We also give an explicit calculation of the Regge limit of the modular flowed chaos correlator and find examples which do not saturate the modular chaos bound. Finally, we discuss the extent to which our results reveal properties of the target of the probe excitation as a “stringy quantum extremal surface” or simply quantify the probe itself thus giving a new approach to studying the notion of longitudinal string spreading.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Turbulence in Continental Stratocumulus, Part I: External Forcings and Turbulence Structures

Comprehensive, ground-based observations from the US Department of Energy Atmospheric Radiation Measurements program Southern Great Plains site are used to study the variability of turbulence forcings and cloud-scale turbulence structures in a continental stratocumulus cloud. The turbulence observations are made from an upward facing cloud (35 GHz) Doppler radar. Cloud base and liquid water path are characterized using a lidar at the surface and a microwave radiometer. The turbulence characterizations are compared and contrasted with those observed in marine stratocumulus clouds. During the 16-h observation period used in this study the cloud-base and cloud-top heights evolve with time and changes in liquid water path observed by the radiometer are consistent with variations in cloud depth. Unlike marine stratocumulus clouds, a diurnal cycle of cloud thickness and liquid water path is not observed. The observed surface latent, sensible, and virtual sensible heat fluxes and the radiative fluxes exhibit a diurnal cycle with values increasing from sunrise to afternoon and decreasing afterwards. During the night, the sensible heat, virtual sensible heat and the net radiative fluxes at the surface are slightly negative. Solar radiative heating prevails in the cloud layer during the day and strong radiative cooling exists at cloud top even during the day. Unlike marine stratocumulus, surface heating described by the convective velocity scale W* s and cloud-top cooling described by W* r are both important in driving the in-cloud turbulence during the day, whereas cloud-top cooling is the exclusive contributor during the night. The combined W* s and W* r (the total velocity scale W* t ) provides a useful way to track the evolution of the turbulence structure in the cloud. The variance of the radar-measured radial velocity, which is related to resolved turbulence, follows the diurnal cycle and is consistent with the total velocity scale W* t variations. It is higher during the day and lower during the night, which is contrary to that in marine stratocumulus. The W* t values are lowest around sunset when the radiative cooling is also small due to upper-level clouds observed above the low-level stratus. The vertical distribution of the variance results from the surface heating during the day and cloud-top cooling during the night. The squared spectrum width, which is related to turbulence structures within the radar sampling volume (unresolved turbulence) also follows the diurnal cycle. Its vertical distribution indicates that the unresolved turbulence more closely relates to the processes near cloud top. Turbulence in the cloud requires about an hour to respond to the external forcings of surface heating and cloud-top radiative cooling. Positive skewness prevails during the day and negative skewness prevails at night with a sharp transition around sunset. Resolved turbulence dominates near cloud base whereas unresolved turbulence dominates near cloud top. The turbulence characteristics and variability defined in this study can be used to evaluate the time evolution of turbulence structures in large eddy simulation forced by surface and cloud-top radiative forcings.

Continental stratocumulus↗
DOE OSTI2016

Direct discontinuous Galerkin method and its variations for second order elliptic equations

In this study, we study direct discontinuous Galerkin method (Liu and Yan in SIAM J Numer Anal 47(1):475–698, 2009) and its variations (Liu and Yan in Commun Comput Phys 8(3):541–564, 2010; Vidden and Yan in J Comput Math 31(6):638–662, 2013; Yan in J Sci Comput 54(2–3):663–683, 2013) for 2nd order elliptic problems. A priori error estimate under energy norm is established for all four methods. Optimal error estimate under L 2 norm is obtained for DDG method with interface correction (Liu and Yan in Commun Comput Phys 8(3):541–564, 2010) and symmetric DDG method (Vidden and Yan in J Comput Math 31(6):638–662, 2013). A series of numerical examples are carried out to illustrate the accuracy and capability of the schemes. Numerically we obtain optimal (k+1)th order convergence for DDG method with interface correction and symmetric DDG method on nonuniform and unstructured triangular meshes. An interface problem with discontinuous diffusion coefficients is investigated and optimal (k+1)th order accuracy is obtained. Peak solutions with sharp transitions are captured well. Highly oscillatory wave solutions of Helmholz equation are well resolved.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Parallel-in-Time Solution of Allen-Cahn Equations by Integrating Operator Learning into the Parareal Method

While recent advances in deep learning have shown promising efficiency gains in solving time-dependent partial differential equations (PDEs), matching the accuracy of conventional numerical solvers still remains a challenge. One strategy to improve the accuracy of deep learning-based solutions for time-dependent PDEs is to use the learned model as the coarse propagator in the Parareal method and a traditional numerical method as the fine solver. However, successful integration of deep learning into the Parareal method requires consistency between the coarse and fine solvers, particularly for PDEs exhibiting rapid changes such as sharp transitions. Here, to ensure this consistency, we propose using convolutional neural networks (CNNs) to learn the fully discrete time-stepping operator defined by the same numerical scheme employed as the fine solver. We demonstrate the effectiveness of the proposed method in solving the classical and mass-conservative Allen–Cahn (AC) equations. Through iterative updates in the Parareal algorithm, our approach achieves a significant computational speedup compared to traditional fine solvers while converging to high-accuracy solutions. Our results highlight that the proposed hybrid Parareal algorithm effectively accelerates simulations, particularly when implemented on multiple GPUs, and converges to the desired accuracy in only a few iterations. Another advantage of our method is that the CNN model is trained on trajectory-based data generated from random initial conditions, such that the trained model can be used to solve the AC equations with various initial conditions without retraining. This work demonstrates the potential of integrating neural network methods into parallel-in-time frameworks for efficient and accurate simulations of time-dependent PDEs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Optimization of the Dy Content in Single Crystalline GdBCO Bulk Superconductors Fabricated in Air Via Top-Seeded Infiltration Growth Process

Single-crystalline bulk GdBa{sub 2}Cu{sub 3}O{sub 7−δ} (GdBCO) superconductors were fabricated with top-seeded infiltration-growth technique (TSIG) in air by adding the different amounts of Dy{sub 2}BaCuO{sub 5} (Dy-211) particles (5, 10, 15, 20, 25, 30, 35, and 40 wt%). All the samples show superconducting critical temperature at ∼93 K with sharp transition irrespective of the chemical composition. X-ray diffraction measurements confirmed that all the samples were single domain with high alignment. Microstructural studies through scanning electron microscopy showed that TSIG-processed GdBCO samples contained 211 phase particles of two different sizes, i.e., ∼2–4 and ∼10 μ m. The addition of Dy-211 phase particles led to a significant enhancement of critical current density (J{sub c}) at 77 K. GdBCO superconductor with the addition of 20 wt% of Dy-211 showed the highest J{sub c} of 45.5 kA/cm {sup 2} at 77 K and self field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Solving the 3d Ising Model with the Conformal Bootstrap II. c -Minimization and Precise Critical Exponents

Here, we use the conformal bootstrap to perform a precision study of the operator spectrum of the critical 3d Ising model. We conjecture that the 3d Ising spectrum minimizes the central charge \(c\) in the space of unitary solutions to crossing symmetry. Because extremal solutions to crossing symmetry are uniquely determined, we are even able to precisely reconstruct the first several \(\mathbb {Z}_2\) -even operator dimensions and their OPE coefficients. We observe that a sharp transition in the operator spectrum occurs at the 3d Ising dimension \(\Delta _\sigma = 0.518154(15)\) , and find strong numerical evidence that operators decouple from the spectrum as one approaches the 3d Ising point. We compare this behavior to the analogous situation in 2d, where the disappearance of operators can be understood in terms of degenerate Virasoro representations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Phylogenetically structured traits in root systems influence arbuscular mycorrhizal colonization in woody angiosperms

In this study, there is little quantitative information about the relationship between root traits and the extent of arbuscular mycorrhizal fungi (AMF) colonization. We expected that ancestral species with thick roots will maximize AMF habitat by maintaining similar root traits across root orders (i.e., high root trait integration), whereas more derived species are expected to display a sharp transition from acquisition to structural roots. Moreover, we hypothesized that interspecific morphological differences rather than soil conditions will be the main driver of AMF colonization We analyzed 14 root morphological and chemical traits and AMF colonization rates for the first three root orders of 34 temperate tree species grown in two common gardens. We also collected associated soil to measure the effect of soil conditions on AMF colonization Results Thick-root magnoliids showed less variation in root traits along root orders than more-derived angiosperm groups. Variation in stele:root diameter ratio was the best indicator of AMF colonization within and across root orders. Root functional traits rather than soil conditions largely explained the variation in AMF colonization among species. In conclusion, not only the traits of first order but the entire structuring of the root system varied among plant lineages, suggesting alternative evolutionary strategies of resource acquisition. Understanding evolutionary pathways in below ground organs could open new avenues to understand tree species influence on soil carbon and nutrient cycling.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Wire directed energy deposition of steel-aluminum structures using cold metal transfer process

In this study, a sharp transition from 316L stainless steel to 4043 aluminum alloy was fabricated using wire directed energy deposition (DED) via the cold metal transfer (CMT) process. The CMT process with its inherently low heat input, led to a significant reduction in intermetallic thickness at the bi-metallic interface compared to blown powder DED technique reported in the literature resulting in superior properties when compared to those of dissimilar steel-aluminum welds. Thermo-kinetic modeling confirmed that the intermetallic formation is through a classical nucleation and growth mechanism, and the fraction and thickness can be controlled by adjusting CMT process parameters to kinetically arrest or minimize the intermetallic formation. These findings underscore the efficacy of CMT-based wire DED for fabrication of steel-aluminum bi-metallic structures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Semiclassical model for calculating exciton and polaron pair energetics at interfaces

Exciton and polaron pair dissociation is a key functional aspect of photovoltaic devices. To improve upon the current state of interfacial transport models, we augment the existing classical models of dielectric interfaces by incorporating results from ab initio calculations, allowing us to calculate exciton and polaron binding energies more accurately. We demonstrate the predictive capabilities of this new model using two interfaces: (i) the boron subphthalocyanine chloride (SubPc) and C60 interface, which is an archetype for many organic photovoltaic devices; and (ii) pentacene and silicon (1 0 0), which represents a hybrid between organic and inorganic semiconductors. Overall, our calculations predict that the insertion of molecular dipoles at interfaces can be used for improving polaron pair dissociation and that sharp transitions in dielectric permittivity can have a stronger effect on the polaron pair dissociation than even the electron-hole Coulomb interaction.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Single-Step Selective Oxidation of Methane by Iron-Oxo Species in the Metal–Organic Framework MFU-4l

The direct and selective conversion of methane to methanol can be considered a holy grail for catalysis research. In this work, we study a metal-organic framework known as MFU-4l, modified by design to include highly reactive iron-oxo species for the catalytic C-H bond activation of methane. We investigate the oxidation of methane and the further potential oxidation of the product methanol using N 2 O as an oxygen source and map the potential energy landscape of these reactions using density functional theory calculations. We show that the highest energy barrier encountered during the methane oxidation process is not the C-H bond breaking, but the activation of the iron center by N 2 O. Furthermore, the potential energy landscape for the C-H bond activation exhibits a large, high-energy plateau region instead of a sharp transition state, thus differing from the traditional radical rebound mechanism. Furthermore, this insight offers interesting potential routes to enhance the catalytic activity of the catalyst, to hinder unwanted deactivation pathways, and to reduce the activity towards the over-oxidation of the product.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗