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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

An advanced evaluation of spouted beds scale-up for coating TRISO nuclear fuel particles using Radioactive Particle Tracking (RPT)

A set of dimensionless groups has been proposed in the literature by He et al. (1997) to scale-up gas-solid spouted beds while maintaining their hydrodynamics similarity. The literature reported studies do not provide conclusive assessments about this methodology. Therefore, in this work, we have applied an advanced non-invasive Radioactive Particle Tracking (RPT) technique for the first time to evaluate such scale-up methodology by measuring the local solids velocity, normal and shear stresses and the turbulent kinetic energy. The axial and azimuthal averaged radial profiles of solids velocity, normal stresses, shear stresses, and turbulent kinetic energy illustrate that the similarity of the hydrodynamics has not been attained when the proposed set of dimensionless groups has been matched using two sizes of spouted beds of 0.076 m and 0.152 m and sets of operating conditions. The conclusion is consistent with the recent reported findings by measuring cross sectional distribution and radial profiles of solids and gas holdups along the bed height using gamma-ray computed tomography and by the limited point measurements of solids velocity and holdup using optical fiber probe. It is clear that local measurements of hydrodynamic parameters are essential for detailed assessment of scale-up methodologies. Here, the presented results of our work in terms of the components profiles of the particles radial velocities and turbulent parameters are also valuable for benchmarking computational fluid dynamics codes and models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Transport of colloidal particles in microscopic porous medium analogs with surface charge heterogeneity: experiments and fundamental role of single-bead deposition

Understanding colloid transport in subsurface environments is challenging due to complex interactions between colloids, ground water, and porous media over several length scales. Here, we study the transport of colloidal particles through bead-assembled microfluidic porous media analogs (PMAs) with surface charge heterogeneity. The pore-scale dynamics of colloidal particle deposition were measured, as well as the breakthrough curves (BTC) and retention profiles (RP) of deposited colloidal particles at the scale of the entire PMA. From pore-scale experiments, the maximum surface coverage (?max = 0.51) was measured directly, from which the surface blocking function and deposition coefficient (kpore = 3.56 s-1) were obtained. Using these pore-scale parameters, the transport of colloidal particles was modeled using a one-dimensional advection-dispersion equation under the assumption of irreversible adsorption between oppositely charged beads and colloids, showing good agreement with experimental data. This work presents a new approach to fabricate chemically heterogeneous porous media in a microfluidic device that enables direct measurements of pore-scale colloidal deposition. The approach allows a quantitative prediction of colloidal breakthrough and retention via coupling of direct measurements and an advection-dispersion-deposition model.

Guo, Yang↗
DOE OSTI2017

Polymers at Liquid/Vapor Interface

Polymers confined to the liquid/vapor interface are studied using molecular dynamics simulations. We show that for polymers which are weakly immiscible with the solvent, the density profile perpendicular to the liquid/vapor interface is strongly asymmetric. On the vapor side of the interface, the density distribution falls off as a Gaussian with a decay length on the order of the bead diameter, whereas on the liquid side, the density profile decays as a simple exponential. This result differs from that of a polymer absorbed from a good solvent with the density profile decaying as a power law. In conclusion, as the surface coverage increases, the average end-to-end distance and chain mobility systematically decreases toward that of the homopolymer melt.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Multi-fidelity information fusion with concatenated neural networks

Recently, computational modeling has shifted towards the use of statistical inference, deep learning, and other data-driven modeling frameworks. Although this shift in modeling holds promise in many applications like design optimization and real-time control by lowering the computational burden, training deep learning models needs a huge amount of data. This big data is not always available for scientific problems and leads to poorly generalizable data-driven models. This gap can be furnished by leveraging information from physics-based models. Exploiting prior knowledge about the problem at hand, this study puts forth a physics-guided machine learning (PGML) approach to build more tailored, effective, and efficient surrogate models. For our analysis, without losing its generalizability and modularity, we focus on the development of predictive models for laminar and turbulent boundary layer flows. In particular, we combine the self-similarity solution and power-law velocity profile (low-fidelity models) with the noisy data obtained either from experiments or computational fluid dynamics simulations (high-fidelity models) through a concatenated neural network. We illustrate how the knowledge from these simplified models results in reducing uncertainties associated with deep learning models applied to boundary layer flow prediction problems. The proposed multi-fidelity information fusion framework produces physically consistent models that attempt to achieve better generalization than data-driven models obtained purely based on data. While we demonstrate our framework for a problem relevant to fluid mechanics, its workflow and principles can be adopted for many scientific problems where empirical, analytical, or simplified models are prevalent. In line with grand demands in novel PGML principles, this work builds a bridge between extensive physics-based theories and data-driven modeling paradigms and paves the way for using hybrid physics and machine learning modeling approaches for next-generation digital twin technologies.

42 ENGINEERING↗
DOE OSTI2023

Energetics of high temperature degradation of fentanyl into primary and secondary products

Fentanyl is a synthetic opioid used for managing chronic pain. Due to its higher potency (50–100×) than morphine, fentanyl is also an abused drug. A sensor that could detect illicit fentanyl by identifying its thermally degraded fragments would be helpful to law enforcement. While experimental studies have probed the thermal degradation of fentanyl, little theoretical work has been done to understand the mechanism. Here, we studied the thermal degradation pathways of fentanyl using extensive ab initio molecular dynamics simulations combined with enhanced sampling via multiple-walker metadynamics. We calculated the free energy profile for each bond suggested earlier as a potential degradation point to map the thermodynamic driving forces. In conclusion, we also estimated the forward attempt rate of each bond degradation reaction to gain information about degradation kinetics.

Poudel, Bharat↗
DOE OSTI2014

Heating and current drive requirements towards steady state operation in ITER

Steady state scenarios envisaged for ITER aim at optimizing the bootstrap current, while maintaining sufficient confinement and stability to provide the necessary fusion yield. Non-inductive scenarios will need to operate with Internal Transport Barriers (ITBs) in order to reach adequate fusion gain at typical currents of 9 MA. However, the large pressure gradients associated with ITBs in regions of weak or negative magnetic shear can be conducive to ideal MHD instabilities, reducing the no-wall limit. The E × B flow shear from toroidal plasma rotation is expected to be low in ITER, with a major role in the ITB dynamics being played by magnetic geometry. Combinations of H/CD sources that maintain weakly reversed magnetic shear profiles throughout the discharge are the focus of this work. Time-dependent transport simulations indicate that, with a trade-off of the EC equatorial and upper launcher, the formation and sustainment of quasi-steady state ITBs could be demonstrated in ITER with the baseline heating configuration. However, with proper constraints from peeling-ballooning theory on the pedestal width and height, the fusion gain and the maximum non-inductive current are below the ITER target. Upgrades of the heating and current drive system in ITER, like the use of Lower Hybrid current drive, could overcome these limitations, sustaining higher non-inductive current and confinement, more expanded ITBs which are ideal MHD stable.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Non-classical nuclei and growth kinetics of Cr precipitates in FeCr alloys during ageing

In this manuscript, we quantitatively calculated the thermodynamic properties of critical nuclei of Cr precipitates in FeCr alloys. The concentration profiles of the critical nuclei and nucleation energy barriers were predicted by the constrained shrinking dimer dynamics (CSDD) method. It is found that Cr concentration distribution in the critical nuclei strongly depend on the overall Cr concentration as well as temperature. The critical nuclei are non-classical because the concentration in the nuclei is smaller than the thermodynamic equilibrium value. These results are in agreement with atomic probe observation. The growth kinetics of both classical and non-classical nuclei was investigated by the phase field approach. The simulations of critical nucleus evolution showed a number of interesting phenomena: 1) a critical classical nucleus first shrinks toward its non-classical nucleus and then grows; 2) a non-classical nucleus has much slower growth kinetics at its earlier growth stage compared to the diffusion-controlled growth kinetics. 3) a critical classical nucleus grows faster at the earlier growth stage than the non-classical nucleus. All of these results demonstrate that it is critical to introduce the correct critical nuclei in order to correctly capture the kinetics of precipitation.

Critical nucleus↗
DOE OSTI2018

Spatiotemporal evolution of runaway electrons from synchrotron images in Alcator C-Mod

We report in the Alcator C-Mod tokamak, relativistic runaway electron (RE) generation can occur during the flattop current phase of low density, diverted plasma discharges. Due to the high toroidal magnetic field (B 0 = 5.4 T), RE synchrotron radiation is measured by a wide-view camera in the visible wavelength range (λ ≈ 400–900 nm). In this paper, a statistical analysis of over one thousand camera images is performed to investigate the plasma conditions under which synchrotron emission is observed in C-Mod. In addition, the spatiotemporal evolution of REs during one particular discharge is explored in detail via a thorough analysis of the distortion-corrected synchrotron images. To accurately predict RE energies, the kinetic solver CODE is used to evolve the electron momentum-space distribution at six locations throughout the plasma: the magnetic axis and flux surfaces q = 1, 4/3, 3/2, 2, and 3. These results, along with the experimentally-measured magnetic topology and camera geometry, are input into the synthetic diagnostic SOFT to simulate synchrotron emission and detection. Interesting spatial structure near the surface q = 2 is found to coincide with the onset of a locked mode and increased MHD activity. Furthermore, the RE density profile evolution is fit by comparing experimental to synthetic images, providing important insight into RE spatiotemporal dynamics.

synthetic diagnostic↗
DOE OSTI2024

Inter-ELM pedestal turbulence dynamics dependence on q 95 and temperature gradient

A series of dedicated experiments from DIII-D tokamak provide spatially and temporally resolved measurements of electron density and temperature, and multiscale and multichannel fluctuations over a wide range of conditions. Measurements of long wavelength density fluctuations in the type-I ELMing H-mode pedestal routinely revealed a coexistence of multiple instabilities that exhibit dramatic different dynamic behaviors as q 95 and temperature gradient are varied, apparently responsible for limiting pedestal temperature profiles. Two distinct frequency bands of density fluctuations are modulated with ELM cycle with frequency above 200kHz propagating in the electron diamagnetic direction in the lab frame (electron mode) and below 200kHz propagating in the ion diamagnetic direction (ion mode). The electron mode amplitude peaks near the electron temperature gradient region and increases with q 95 which seems to be correlated with the increased χ e at higher q 95 , similar to the characteristics expected for Micro-tearing Mode (MTM). At higher q 95 , during the inter-ELM period, the ion mode decays at later phase of the ELM cycle. Consistently, the poloidal correlation length of the ion mode is also found to reduce which suggests the possible E×B flow shear suppression of ion mode at later phase of the ELM cycle as the Er well recovers. In contrast, the electron mode grows during the ELM cycle and reaches saturation at around 50-60% of ELM period. Linear gyrokinetic simulations find the MTMs as the most unstable mode in the pedestal electron temperature gradient region. The higher q 95 and lower magnetic shear destabilize MTMs. These observations provide key insights of the underlying physics of multifield properties and rich dataset of experimental 'fingerprints' that enable new tests of the theoretical pedestal models and lead to developing a predictive model for pedestal formation on ITER and future burning plasma experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Galaxy cluster lensing masses in modified lensing potentials

In this study, we determine the concentration–mass relation of 19 X-ray selected galaxy clusters from the Cluster Lensing and Supernova Survey with Hubble survey in theories of gravity that directly modify the lensing potential. We model the clusters as Navarro–Frenk–White haloes and fit their lensing signal, in the Cubic Galileon and Nonlocal gravity models, to the lensing convergence profiles of the clusters. We discuss a number of important issues that need to be taken into account, associated with the use of non-parametric and parametric lensing methods, as well as assumptions about the background cosmology. Our results show that the concentration and mass estimates in the modified gravity models are, within the error bars, the same as in Λ cold dark matter. This result demonstrates that, for the Nonlocal model, the modifications to gravity are too weak at the cluster redshifts, and for the Galileon model, the screening mechanism is very efficient inside the cluster radius. However, at distances ~ [2–20] Mpc/h from the cluster centre, we find that the surrounding force profiles are enhanced by ~ 20–40% in the Cubic Galileon model. This has an impact on dynamical mass estimates, which means that tests of gravity based on comparisons between lensing and dynamical masses can also be applied to the Cubic Galileon model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

An Energy Service Interface for Distributed Energy Resources

Renewable energy resources, particularly wind and solar photovoltaic, are becoming significant contributors to electric power generation. These re-sources will contribute towards achieving sustainable electric power systems. However, renewable resources will dramatically increase the demand for flexible power system operations. This paper proposes an energy service interface that will allow aggregated distributed energy resources, such as residential loads and inverter-based systems, to participate in NERC-defined smart energy reliability services. Such cyber-physical systems will increase system flexibility by ensuring match between energy supply and energy demand.Aggregation and coordinated dispatch of millions of distributed energy resources will require development of large-scale computing networks. Several smart grid interface-enabling technologies, including IEEE 2030.5, Common Smart Inverter Profile, SunSpec Modbus, and CTA 2045, are discussed. Residential loads are categorized by their static and dynamic energy characteristics to identify services in which they can participate. The business model for the energy services interface as well as probabilistic modeling for resource estimation are highlighted as future considerations.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Insights into the Lysine Acetylome of the Haloarchaeon Haloferax volcanii during Oxidative Stress by Quantitative SILAC-Based Proteomics

Oxidative stress adaptation strategies are important to cell function and are linked to cardiac, neurodegenerative disease, and cancer. Representatives of the Archaea domain are used as model organisms based on their extreme tolerance to oxidants and close evolutionary relationship with eukaryotes. A study of the halophilic archaeon Haloferax volcanii reveals lysine acetylation to be associated with oxidative stress responses. The strong oxidant hypochlorite: (i) stimulates an increase in lysine acetyltransferase HvPat2 to HvPat1 abundance ratios and (ii) selects for lysine deacetylase sir2 mutants. Here we report the dynamic occupancy of the lysine acetylome of glycerol-grown H. volcanii as it shifts in profile in response to hypochlorite. These findings are revealed by the: (1) quantitative multiplex proteomics of the SILAC-compatible parent and Δsir2 mutant strains and (2) label-free proteomics of H26 ‘wild type’ cells. The results show that lysine acetylation is associated with key biological processes including DNA topology, central metabolism, cobalamin biosynthesis, and translation. Lysine acetylation targets are found conserved across species. Moreover, lysine residues modified by acetylation and ubiquitin-like sampylation are identified suggesting post-translational modification (PTM) crosstalk. Overall, the results of this study expand the current knowledge of lysine acetylation in Archaea, with the long-term goal to provide a balanced evolutionary perspective of PTM systems in living organisms.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Theoretical Analysis of Fractional Viscoelastic Flow in Circular Pipes: General Solutions

Fractional calculus is a relatively old yet emerging field of mathematics with the widest range of engineering and biomedical applications. Despite being an incredibly powerful tool, it, however, requires promotion in the engineering community. Rheology is undoubtedly one of the fields where fractional calculus has become an integral part of cutting-edge research. There exists extensive literature on the theoretical, experimental, and numerical treatment of various fractional viscoelastic flows in constraint geometries. However, the general theoretical approach that unites several most commonly used models is missing. Here we present exact analytical solutions for fractional viscoelastic flow in a circular pipe. We find velocity profiles and shear stresses for fractional Maxwell, Kelvin–Voigt, Zener, Poynting–Thomson, and Burgers models. The dynamics of these quantities are studied with respect to normalized pipe radius, fractional orders, and elastic moduli ratio. Three different types of behavior are identified: monotonic increase, resonant, and aperiodic oscillations. The models developed are applicable in the widest material range and allow for the alteration of the balance between viscous and elastic properties of the materials.

Gritsenko, Dmitry (ORCID:0000000248181512)↗
DOE OSTI2018

Spatiotemporal evolution of runaway electrons from synchrotron images in Alcator C-Mod

In the Alcator C-Mod tokamak, relativistic runaway electron (RE) generation can occur during the flattop current phase of low density, diverted plasma discharges. Due to the high toroidal magnetic field (B0 = 5.4 T), RE synchrotron radiation is measured by a wide-view camera in the visible wavelength range (~400-900 nm). In this paper, a statistical analysis of over one thousand camera images is performed to investigate the plasma conditions under which synchrotron emission is observed in C-Mod. In addition, the spatiotemporal evolution of REs during one particular discharge is explored in detail via a thorough analysis of the distortion-corrected synchrotron images. To accurately predict RE energies, the kinetic solver CODE [Landreman et al 2014 Comput. Phys. Commun. 185 847-855] is used to evolve the electron momentum-space distribution at six locations throughout the plasma: the magnetic axis and flux surfaces q = 1, 4/3, 3/2, 2, and 3. These results, along with the experimentally-measured magnetic topology and camera geometry, are input into the synthetic diagnostic SOFT [Hoppe et al 2018 Nucl. Fusion 58 026032] to simulate synchrotron emission and detection. Interesting spatial structure near the surface q = 2 is found to coincide with the onset of a locked mode and increased MHD activity. Furthermore, the RE density profile evolution is fit by comparing experimental to synthetic images, providing important insight into RE spatiotemporal dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Ubiquity of density slope oscillations in the central regions of galaxy and cluster-sized systems

One usually thinks of a radial density profile as having a monotonically changing logarithmic slope, such as in NFW or Einasto profiles. However, in two different classes of commonly used systems, this is often not the case. These classes exhibit non-monotonic changes in their density profile slopes which we call oscillations for short. We analyze these two unrelated classes separately. Class 1 consists of systems that have density oscillations and that are defined through their distribution function f ( E ), or differential energy distribution N ( E ), such as isothermal spheres, King profiles, or DARKexp, a theoretically derived model for relaxed collisionless systems. Systems defined through f ( E ) or N ( E ) generally have density slope oscillations. Class 1 system oscillations can be found at small, intermediate, or large radii but we focus on a limited set of Class 1 systems that have oscillations in the central regions, usually at log( r / r {sub −2}) ∼< −2, where r {sub −2} is the largest radius where d log(ρ)/ d log( r ) = −2. We show that the shape of their N ( E ) can roughly predict the amplitude of oscillations. Class 2 systems which are a product of dynamical evolution, consist of observed and simulated galaxies and clusters, and pure dark matter halos. Oscillations in the density profile slope seem pervasive in the central regions of Class 2 systems. We argue that in these systems, slope oscillations are an indication that a system is not fully relaxed. We show that these oscillations can be reproduced by small modifications to N ( E ) of DARKexp. These affect a small fraction of systems' mass and are confined to log( r / r {sub −2}) ∼< 0. The size of these modifications serves as a potential diagnostic for quantifying how far a system is from being relaxed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Real-time Simulation of Coordinated Sub-Transmission Volt-Var Control Tool under High Distributed PV Penetration

With the rapid penetration of intermittent solar photovoltaic (PV) and other distributed energy resources (DER) into the grid, and subsequent changes in power flow patterns in both distribution and sub-transmission, voltage regulation is becoming a major challenge. It is prudent to leverage PV and DER to provide ancillary services to the grid, such as voltage regulation. Recently, a quasi-static, coordinated real-time sub transmission volt-var control algorithm (CReST-VCT) was developed for voltage regulation under high PV penetration by dispatching the reactive power settings of the shunt devices and PV inverters. The algorithm was validated offline, on a quasistatic study. Such quasi-static dispatching algorithms cannot guarantee its performance for highly nonlinear dynamical power systems. In this paper the performance of the algorithm is validated with a real time nonlinear dynamic simulation of a modified IEEE 118 bus system in Opal-RT. The real time simulation is used to emulate the actual system operation, providing a more realistic testing environment for CReST-VCT. The dispatch and control signals are communicated between the power system (Opal solver) and the control center (GAMS solver) in real-time with a MODBUS bridge. The results demonstrate i) system is stable with the new dispatch points ii) significant improvement in system-wide voltage profiles compared to an uncontrolled scenario. Another significant contribution of the work is developing a framework for dispatchable, long duration dynamic simulations that can be leveraged for market/dispatch studies.

CReST-VCT, Opal-RT, Volt/Var Control, renewable in↗
DOE OSTI2019

Dynamics of the Kinetic Energy in the Atmospheric Boundary Layer from the Results of Minisodar Measurements

Based on acoustic remote measurements of vertical profiles of three wind velocity components in a 200-meter boundary layer of the atmosphere, values of the kinetic energy of the atmosphere and its components: kinetic energy of ordered motion E{sub MKE} (with average wind velocity) and turbulent kinetic energy E{sub TKE} are estimated. An analysis of their vertical profiles has demonstrated that at altitudes up to ~25–50 m, the turbulent kinetic energy values and their spreads are very small and sharply increase with altitude. The maximum E{sub TKE} values are observed at midnight, as well as the maximum E{sub MKE} values. In the morning, the contribution of the kinetic energy of the ordered motion in the lower 100-meter layer of the atmosphere exceeds that of the turbulent motion, which can be caused by the presence of a wind shear in the corresponding wind velocity profiles. The vertical E{sub MKE} profile increases in the morning, reaches maximum values by noon, and then decreases by midnight. The diurnal variations of the kinetic energy are characterized by the presence of several minima and maxima whose values and times of occurrence depend on the meteorological conditions during sounding session, the presence and characteristics of cloudiness, and the solar radiation intensity.

14 SOLAR ENERGY↗
DOE OSTI2023

Pressure-driven tearing and thermal transport in finite-beta reversed field pinch computations

In this work, nonlinear resistive-magnetohydrodynamics (MHD) computation with heating and anisotropic transport is applied to examine the interaction between thermal energy and magnetic fluctuations in inductively driven reversed-field pinches (RFPs). The magnetic fluctuations underlie magnetic field reversal through dynamo-like correlations, and they enhance thermal energy transport through fluctuations of parallel heat flux density. With the unfavorable magnetic curvature that exists across the RFP profile, thermal energy also affects the magnetic fluctuations. Computations with the NIMROD code [Sovinec et al., J. Comput. Phys. 195, 355–386 (2004)] integrate nonlinear MHD dynamics with energy transport and reproduce an RFP state with experimentally relevant values of plasma-β. Equilibria constructed from results of the 3D computations are analyzed to assess the sources of free energy in the saturated nonlinear state. Linear computations for these profiles show unstable modes of tearing parity. Their eigenfunctions are used to evaluate and compare stabilizing and destabilizing contributions to the kinetic energy integral. An assessment of the drives in the integral reveals that the pressure gradient drive is of comparable magnitude to the parallel current drive, and only the sum of the two surpasses the stabilizing contributions. Correlation of magnetic and parallel heat flux density fluctuations in the nonlinear computations shows that fluctuation-induced thermal conduction is the dominant mode of energy loss, as expected from experimental evidence. Decomposition of the fluctuating heat flux density shows that second-order correlations, alone, do not explain the total energy transport. Higher-order correlations are also important.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗