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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Bioinspired design of flexible armor based on chiton scales

Man-made armors often rely on rigid structures for mechanical protection, which typically results in a trade-off with flexibility and maneuverability. Chitons, a group of marine mollusks, evolved scaled armors that address similar challenges. Many chiton species possess hundreds of small, mineralized scales arrayed on the soft girdle that surrounds their overlapping shell plates. Ensuring both flexibility for locomotion and protection of the underlying soft body, the scaled girdle is an excellent model for multifunctional armor design. Here we conduct a systematic study of the material composition, nanomechanical properties, three-dimensional geometry, and interspecific structural diversity of chiton girdle scales. Moreover, inspired by the tessellated organization of chiton scales, we fabricate a synthetic flexible scaled armor analogue using parametric computational modeling and multi-material 3D printing. This approach allows us to conduct a quantitative evaluation of our chiton-inspired armor to assess its orientation-dependent flexibility and protection capabilities.

Science & Technology - Other Topics↗
DOE OSTI2014

Contact kinematics of biomimetic scales

Dermal scales, prevalent across biological groups, considerably boost survival by providing multifunctional advantages. Here, we investigate the nonlinear mechanical effects of biomimetic scale like attachments on the behavior of an elastic substrate brought about by the contact interaction of scales in pure bending using qualitative experiments, analytical models, and detailed finite element (FE) analysis. Our results reveal the existence of three distinct kinematic phases of operation spanning linear, nonlinear, and rigid behavior driven by kinematic interactions of scales. The response of the modified elastic beam strongly depends on the size and spatial overlap of rigid scales. The nonlinearity is perceptible even in relatively small strain regime and without invoking material level complexities of either the scales or the substrate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package

Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Lastly, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.

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

Multi-scale transport in the DIII-D ITER baseline scenario with direct electron heating and projection to ITER

Multi-scale fluctuations measured by turbulence diagnostics spanning long and short wavelength spatial scales impact energy confinement and the scale-lengths of plasma kinetic profiles in the DIII-D ITER baseline scenario with direct electron heating. Contrasting discharge phases with ECH + neutral beam injection (NBI) and NBI only at similar rotation reveal higher energy confinement and lower fluctuations when only NBI heating is used. Modeling of the core transport with TGYRO using the TGLF turbulent transport model and NEO neoclassical transport reproduces the experimental profile changes upon application of direct electron heating and indicates that multi-scale transport mechanisms are responsible for changes in the temperature and density profiles. Intermediate and high-k fluctuations appear responsible for the enhanced electron thermal flux, and intermediate-k electron modes produce an inward particle pinch that increases the inverse density scale length. Projection to ITER is performed with TGLF and indicates a density profile that has a finite scale length due to intermediate-k electron modes at low collisionality and increases the fusion gain. Finally, for a range of E×B shear, the dominant mechanism that increases fusion performance is suppression of outward low-k particle flux and increased density peaking.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Scaling methods for accelerating kinetic Monte Carlo simulations of chemical reaction networks

Various kinetic Monte Carlo algorithms become inefficient when some of the population sizes in a system are large, which gives rise to a large number of reaction events per unit time. In this work, we present a new acceleration algorithm based on adaptive and heterogeneous scaling of reaction rates and stoichiometric coefficients. The algorithm is conceptually related to the commonly used idea of accelerating a stochastic simulation by considering a subvolume λΩ (0 < λ < 1) within a system of interest, which reduces the number of reaction events per unit time occurring in a simulation by a factor 1/λ at the cost of greater error in unbiased estimates of first moments and biased overestimates of second moments. Our new approach offers two unique benefits. First, scaling is adaptive and heterogeneous, which eliminates the pitfall of overaggressive scaling. Second, there is no need for an a priori classification of populations as discrete or continuous (as in a hybrid method), which is problematic when discreteness of a chemical species changes during a simulation. The method requires specification of only a single algorithmic parameter, N c , a global critical population size above which populations are effectively scaled down to increase simulation efficiency. The method, which we term partial scaling, is implemented in the open-source BioNetGen software package. We demonstrate that partial scaling can significantly accelerate simulations without significant loss of accuracy for several published models of biological systems. Finally, these models characterize activation of the mitogen-activated protein kinase ERK, prion protein aggregation, and T-cell receptor signaling.

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

Scalings pertaining to current sheet disruption mediated by the plasmoid instability

Analytic scaling relations are derived for a phenomenological model of the plasmoid instability in an evolving current sheet, including the effects of reconnection outflow. Two scenarios are considered, where the plasmoid instability can be triggered either by an injected initial perturbation or by the natural noise of the system (here referred to as the system noise). The two scenarios lead to different scaling relations because the initial noise decays when the linear growth of the plasmoid instability is not sufficiently fast to overcome the advection loss caused by the reconnection outflow, whereas the system noise represents the lowest level of fluctuations in the system. The leading order approximation for the current sheet width at disruption takes the form of a power law multiplied by a logarithmic factor, and from that, the scaling relations for the wavenumber and the linear growth rate of the dominant mode are obtained. When the effects of the outflow are neglected, the scaling relations agree, up to the leading order approximation, with previously derived scaling relations based on a principle of least time. As a result, the analytical scaling relations are validated with numerical solutions of the model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Prospects for sub-nanometer scale imaging of optical phenomena using electron microscopy

Imaging of optical phenomena at the sub-nanometer scale can offer fundamental insights into the electronic or vibrational states in atomic-scale defects, molecules, and nanoparticles, which are important in quantum information, heterogeneous catalysis, optoelectronics, and structural biology. Several techniques have surpassed the traditional Abbe diffraction limit and attained spatial resolutions down to a few nanometers, but sub-nanometer scale optics has remained elusive. Here, we propose an approach that combines spectrally specific photoabsorption with sub-nanometer scale resolution transmission electron microscopy (TEM) of photoexcited electrons. We first estimate the signal level and conditions required for imaging nanoscale optical phenomena in core-shell quantum dots (QDs) like CdS/CdTe. Furthermore, we show the possibility of imaging photoexcited states of atomic-scale defects in a monolayer hexagonal boron nitride (h-BN) using ab initio and high resolution (HR)TEM simulations. The ability to directly visualize photoexcited states at the sub-nanometer scale opens opportunities to study properties of individual quantum dots and atomic defects.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Effect of overlapping laser beams and density scale length in laser-plasma instability experiments on OMEGA EP

Experiments have been conducted on the OMEGA EP laser facility to study the effect of density scale length and overlapping beam geometry on laser-plasma instabilities near and below the quarter-critical density. Experiments were conducted in both planar geometry (density scale length L n ~ 190 to 300 μm) and spherical geometry (L n ~ 150 μm) with up to four overlapping beams and were designed to have overlapped intensities and density scale lengths comparable to OMEGA spherical experiments, but with many fewer beams. In comparison with previous experiments on OMEGA and National Ignition Facility, it is confirmed that shorter density scale lengths favor the two-plasmon decay (TPD) instability, while longer density scale lengths favor stimulated Raman scattering (SRS). In addition, for experiments at the same scale length and overlapped laser intensity, higher single-beam intensities favor SRS, while a larger number of overlapping beams favor TPD.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Scale filtering analysis of kinetic reconnection and its associated turbulence

Previously, using an incompressible von Kármán–Howarth formalism, the behavior of cross-scale energy transfer in magnetic reconnection and turbulence was found to be essentially identical to each other, independent of an external magnetic (guide) field, in the inertial and energy-containing ranges [Adhikari et al., Phys. Plasmas 30, 082904 (2023)]. However, this description did not account for the energy transfer in the dissipation range for kinetic plasmas. In this Letter, we adopt a scale-filtering approach to investigate this previously unaccounted-for energy transfer channel in reconnection. Using kinetic particle-in-cell simulations of antiparallel and component reconnection, we show that the pressure–strain interaction becomes important at scales smaller than the ion inertial length, where the nonlinear energy transfer term drops off. Also, the presence of a guide field makes a significant difference in the morphology of the scale-filtered energy transfer. These results are consistent with kinetic turbulence simulations, suggesting that the pressure strain interaction is the dominant energy transfer channel between electron scales and ion scales.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Vegetation change at high elevation: scale dependence and interactive effects on Niwot Ridge

High-elevation mountain systems may be particularly responsive to climate change. In this work, we investigate how changes along elevation gradients in mountain systems can aid in predicting vegetation distributional changes in time, focusing on how changing climatic controls affect meso-scale transitions at the lower and upper boundaries of alpine vegetation (with forest and subnival zones, respectively) as well as micro-scale transitions among plant communities within the alpine belt. We focus on climate-related drivers, particularly in relation to climate change, but also consider how species interactions, dispersal and responses to disturbance may influence plant responses to these abiotic drivers. Empirical observations and experimental studies indicate that changing climatic controls influence both meso-scale transitions at the upper and lower boundaries of alpine vegetation and micro-scale transitions among plant communities within tundra. Micro-scale heterogeneity appears to buffer response in many cases, while interactions between climate and other changes may often accelerate change. Interactions with microtopography and larger edaphic gradients have the capacity to both facilitate rapid changes and reinforce stability, and that these interactions will affect the responsiveness of vegetation to climate change at different spatial scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Alfvénic turbulence beyond the ambipolar diffusion scale

We investigate the nature of the Alfvénic turbulence cascade in two-fluid magnetohydrodynamic (MHD) simulations in order to determine if turbulence is damped once the ion and neutral species become decoupled at a critical scale called the ambipolar diffusion scale (L{sub AD}). Using mode decomposition to separate the three classical MHD modes, we study the second-order structure functions of the Alfvén mode velocity field of both neutrals and ions in the reference frame of the local magnetic field. On scales greater than L{sub AD} we confirm that two-fluid turbulence strongly resembles single-fluid MHD turbulence. Our simulations show that the behavior of two-fluid turbulence becomes more complex on scales less than L{sub AD}. We find that Alfvénic turbulence can exist past L{sub AD} when the turbulence is globally super-Alfvénic, with the ions and neutrals forming separate cascades once decoupling has taken place. When turbulence is globally sub-Alfvénic and hence strongly anisotropic, with a large separation between the parallel and perpendicular decoupling scales, turbulence is damped at L{sub AD}. We also find that the power spectrum of the kinetic energy in the damped regime is consistent with a k{sup −4} scaling (in agreement with the predictions of Lazarian et al.).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Large scale structure from viscous dark matter

Cosmological perturbations of sufficiently long wavelength admit a fluid dynamic description. We consider modes with wavevectors below a scale k{sub m} for which the dynamics is only mildly non-linear. The leading effect of modes above that scale can be accounted for by effective non-equilibrium viscosity and pressure terms. For mildly non-linear scales, these mainly arise from momentum transport within the ideal and cold but inhomogeneous fluid, while momentum transport due to more microscopic degrees of freedom is suppressed. As a consequence, concrete expressions with no free parameters, except the matching scale k{sub m}, can be derived from matching evolution equations to standard cosmological perturbation theory. Two-loop calculations of the matter power spectrum in the viscous theory lead to excellent agreement with N-body simulations up to scales k=0.2 h/Mpc. The convergence properties in the ultraviolet are better than for standard perturbation theory and the results are robust with respect to variations of the matching scale.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Experimental energy confinement time scaling with dimensionless parameters in C-Mod I-mode plasmas

The dependence of energy confinement time on gyroradius, β, and normalized collisionality in I-mode plasmas is investigated through dedicated C-Mod experiments scanning dimensionless parameters with constant safety factor. The gyroradius scaling is calculated to be Ω τE ∝ ρ * -3.9±1.5 , which suggests core transport may scale with gyro–Bohm physics, indicating favorable extrapolation of the I-mode regime to future devices at low ρ * . The scaling exponent for ν C is calculated to be small, but positive (Ω τE ∝ ν $^{0.44 ± 0.24}_{C}$), and the exponent for β is deemed inconclusive (Ω τE ∝ β 1.4±3.1 ) due to high correlation with the other two dimensionless variables in the dataset, and therefore requires further investigation. The individual dimensionless parameter scaling is compared to calculations from larger C-Mod I-mode datasets as well as multi-machine scaling laws for ELMy H-mode and L-mode plasmas. Finally, multiple regression techniques and principal component analysis are used to clarify the single parameter scalings and analyze parameter significance within the dataset.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

The role of ion and electron-scale turbulence in setting heat and particle transport in the DIII-D ITER baseline scenario

In this work, the heat and particle transport in a DIII-D ITER Baseline Scenario (IBS) discharge has been investigated using both linear and nonlinear gyrokinetic simulations performed with the CGYRO code [J. Candy et al: Journal Comp. Phys. (2016)].These simulations were used to investigate the role that ion-scale ($k_θp_s$ < 1:0) and electron-scale ($k_θp_s$ > 1:0) turbulence play in determining heat and particle transport in the core of conditions believed to directly extrapolate to ITER operation. This investigation spans over nearly half of the plasma minor radius, from ρ = 0:45 - 0:85. To probe the nature of the transport and turbulence in these conditions and to validate the model against experimental fluxes, scans of $a/L_{T_i}$, $a/L_{T_e}$, and $a/L_n$ were performed at all radial locations. Long wavelength turbulence is found to be dominated by ITG modes with strong non-adiabatic electron effects and appears unable to reproduce ion and electron heat fluxes and electron particle fluxes simultaneously at most radial positions when single parameter scans are performed. To investigate the potential role of short wavelength turbulence, a series of electron-scale simulations are performed that indicate that experimentally relevant levels of electron heat flux could arise at sub-ion scales. Quantitative comparison of the simulated fluxes obtained from ion and electron-scale simulations with experimental levels along with the sensitivity of simulations results to changes in inputs is presented. Through extensive sensitivity scans and comparison with multiple transport channels, this work demonstrates a clear need for self-consistent modification of multiple inputs and suggests multi-scale interactions play a significant role at many of the radial locations studied. The results of this analysis help shape our understanding of the model fidelity needed to predict turbulence and transport reactor-relevant conditions and have important implications for the prediction of future fusion devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Simulation of hydropower at subcontinental to global scales: a state-of-the-art review

Abstract Hydroelectric power is playing a new and often expanded role in the world’s major power grids, offering low carbon generating capacity in industrializing, dam-building economies while providing reserve and flexibility to co-manage fledgling wind and solar resources in high income countries. Driven by river flows, conventional hydropower is exposed to the vagaries of weather and climate, motivating drought and climate change hydropower impact studies at large spatial scales. Here we review methods of climate-driven hydropower simulation at large spatial scales, specifically multi-basin regions to global. We identify four types of approach based on complexity of tools and richness of data applied to the problem. Since the earliest attempts to model climate-driven hydropower at continental scale almost two decades ago, the field has transitioned from one of scientific curiosity to practical application, with studies increasingly motivated by the need to inform power grid expansion planning and operation. As the hydrological and water management models used in large-scale hydropower studies become more sophisticated, new opportunities will emerge to study the impacts of changing hydropower on power system reliability and performance at large power grid scale. To grasp these opportunities, the water resources community must continue to enhance data and models for representing river flows and anthropogenic water use and management at subcontinental to global scales.

13 HYDRO ENERGY↗
DOE OSTI2015

SOLAR WIND TURBULENCE FROM MHD TO SUB-ION SCALES: HIGH-RESOLUTION HYBRID SIMULATIONS

We present results from a high-resolution and large-scale hybrid (fluid electrons and particle-in-cell protons) two-dimensional numerical simulation of decaying turbulence. Two distinct spectral regions (separated by a smooth break at proton scales) develop with clear power-law scaling, each one occupying about a decade in wavenumbers. The simulation results simultaneously exhibit several properties of the observed solar wind fluctuations: spectral indices of the magnetic, kinetic, and residual energy spectra in the magnetohydrodynamic (MHD) inertial range along with a flattening of the electric field spectrum, an increase in magnetic compressibility, and a strong coupling of the cascade with the density and the parallel component of the magnetic fluctuations at sub-proton scales. Our findings support the interpretation that in the solar wind, large-scale MHD fluctuations naturally evolve beyond proton scales into a turbulent regime that is governed by the generalized Ohm’s law.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Scaling neural simulations in STACS

Abstract As modern neuroscience tools acquire more details about the brain, the need to move towards biological-scale neural simulations continues to grow. However, effective simulations at scale remain a challenge. Beyond just the tooling required to enable parallel execution, there is also the unique structure of the synaptic interconnectivity, which is globally sparse but has relatively high connection density and non-local interactions per neuron. There are also various practicalities to consider in high performance computing applications, such as the need for serializing neural networks to support potentially long-running simulations that require checkpoint-restart. Although acceleration on neuromorphic hardware is also a possibility, development in this space can be difficult as hardware support tends to vary between platforms and software support for larger scale models also tends to be limited. In this paper, we focus our attention on Simulation Tool for Asynchronous Cortical Streams (STACS), a spiking neural network simulator that leverages the Charm++ parallel programming framework, with the goal of supporting biological-scale simulations as well as interoperability between platforms. Central to these goals is the implementation of scalable data structures suitable for efficiently distributing a network across parallel partitions. Here, we discuss a straightforward extension of a parallel data format with a history of use in graph partitioners, which also serves as a portable intermediate representation for different neuromorphic backends. We perform scaling studies on the Summit supercomputer, examining the capabilities of STACS in terms of network build and storage, partitioning, and execution. We highlight how a suitably partitioned, spatially dependent synaptic structure introduces a communication workload well-suited to the multicast communication supported by Charm++. We evaluate the strong and weak scaling behavior for networks on the order of millions of neurons and billions of synapses, and show that STACS achieves competitive levels of parallel efficiency.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

On behaviour and scaling of small repeating earthquakes in rate and state fault models

With abundant seismic data for small repeating earthquakes, it is important to construct a dynamic model that can explain various aspects of related observations. We report on small repeating earthquakes on a fault governed by rate- and state-dependent friction laws. The earthquakes occur on a velocity-weakening patch surrounded by a much larger velocity-strengthening region. The whole fault is subject to long-term tectonic loading. The model with a circular patch and the aging form of rate- and state-dependent friction laws has been shown to reproduce the scaling of recurrence time versus seismic moment for small repeating earthquakes in a previous study. In this work we investigate the behaviour of small repeating earthquakes in related models under different scenarios, including several forms of the state evolution equations in rate- and state-dependent friction laws, rectangular velocity-weakening patch geometries, quasi-dynamic versus fully dynamic representation of inertial effects and 2-D versus 3-D simulations. We discover that the simulated scalings between the recurrence time and seismic moment for these different scenarios is similar while differences do exist. We propose a theoretical consideration for the scaling between the recurrence time and seismic moment of small repeating earthquakes. For patch radii smaller than or comparable to the full nucleation size, the scaling is explained by the increase of seismic to aseismic slip ratio with magnitude. For patch radii larger than the full nucleation size, the scaling is explained by the model in which the recurrence time is determined by the earthquake nucleation time, which is in turn determined by the time for aseismic slip to penetrate the distance of the full nucleation size into the patch. The obtained theoretical insight is used to find the combinations of fault properties that allow the model to fit the observed scaling and range of the seismic moment and recurrence time.

58 GEOSCIENCES↗