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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Control-Oriented Modeling of Lithium-Ion Batteries

Battery management systems (BMSs), which monitor and optimize performance while ensuring safety, require control-oriented models, i.e., models tailored to the design and implementation of estimation and control algorithms. Physics-based electrochemical models describe detailed battery phenomena, but are too computationally intensive for use in estimation and control applications. Single particle models (SPMs), which retain some of the physics of electrochemical models, are often used for control-oriented battery modeling since they are computationally efficient; however, they are only valid over very low frequency ranges and C-rates. Empirical equivalent circuit models (ECMs) are also used for control-oriented battery modeling since they are computationally efficient and can describe battery behavior over wide frequency ranges; however, they provide no physical understanding of the battery and, therefore, have limited applicability. Further, fractional order terms (e.g., Warburg impedances) are often employed, making the models unwieldy for use in the time domain. This work provides a control-oriented battery model that combines the benefits of SPM and ECM models, while overcoming their limitations. The proposed model incorporates some of the battery physics found in electrochemical models, can easily be used in both the time and frequency domains, and describes battery behavior over its entire frequency range. A linearized single particle model, which incorporates key electrochemical parameters, is used for modeling battery physics at very low frequencies. For low frequencies, integer-order linear systems are used to approximate diffusion physics described by Warburg impedances, and high frequency behavior is modeled by the double layer capacitance effect. The proposed battery model is more computationally efficient than full electrochemical models since it does not require the solution of PDEs, is accurate for a wider frequency range than the SPM considered in this paper, and does not suffer from the unwieldiness and limited applicability of empirical ECMs. Finally, the model is validated in the time and frequency domains via a comparison to pseudo-two-dimensional (P2D) model simulations and experimental data.

25 ENERGY STORAGE↗
DOE OSTI2013

Space Charge Models for Particle Tracking on Long Time Scales

In order to efficiently track charged particles over long times, most tracking codes use either analytic charge distributions or particle-in-cell (PIC) methods based on fast Fourier transforms (FFTs). While useful for theoretical studies, analytic distribution models do not allow accurate simulation of real machines. PIC calculations can utilize realistic space charge distributions, but these methods suffer from the presence of discretization errors. We examine the situation for particle tracking with space charge over long times, and consider possible ideas to improve the accuracy of such calculations.

Holmes, Jeffrey A↗
DOE OSTI2016

Low-Order Modeling of Internal Heat Transfer in Biomass Particle Pyrolysis

We present a computationally efficient, one-dimensional simulation methodology for biomass particle heating under conditions typical of fast pyrolysis. Our methodology is based on identifying the rate limiting geometric and structural factors for conductive heat transport in biomass particle models with realistic morphology to develop low-order approximations that behave appropriately. Comparisons of transient temperature trends predicted by our one-dimensional method with three-dimensional simulations of woody biomass particles reveal good agreement, if the appropriate equivalent spherical diameter and bulk thermal properties are used. We conclude that, for particle sizes and heating regimes typical of fast pyrolysis, it is possible to simulate biomass particle heating with reasonable accuracy and minimal computational overhead, even when variable size, aspherical shape, anisotropic conductivity, and complex, species-specific internal pore geometry are incorporated.

09 BIOMASS FUELS↗
DOE OSTI2015

Decaying leptophilic dark matter at IceCube

We present a novel interpretation of IceCube high energy neutrino events (with energy larger than 60 TeV) in terms of an extraterrestrial flux due to two different contributions: a flux originated by known astrophysical sources and dominating IceCube observations up to few hundreds TeV, and a new flux component where the most energetic neutrinos come from the leptophilic three-body decays of dark matter particles with a mass of few PeV. Differently from other approaches, we provide two examples of elementary particle models that do not require extremely tiny coupling constants. We find the compatibility of the theoretical predictions with the IceCube results when the astrophysical flux has a cutoff of the order of 100 TeV (broken power law). In this case the most energetic part of the spectrum (PeV neutrinos) is due to an extra component such as the decay of a very massive dark matter component. Due to the low statistics at our disposal we have considered for simplicity the equivalence between deposited and neutrino energy, however such approximation does not affect dramatically the qualitative results. Of course, a purely astrophysical origin of the neutrino flux (no cutoff in energy below the PeV scale — unbroken power law) is still allowed. If future data will confirm the presence of a sharp cutoff above few PeV this would be in favor of a dark matter interpretation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Representative volume element model of lithium-ion battery electrodes based on X-ray nano-tomography

For this, a new model that keeps all major advantages of the single-particle model of lithium-ion batteries (LIBs) and includes three-dimensional structure of the electrode was developed. Unlike the single spherical particle, this model considers a small volume element of an electrode, called the Representative Volume Element (RVE), which represent the real electrode structure. The advantages of using RVE as the model geometry was demonstrated for a typical LIB electrode consisting of nano-particle LiFePO 4 (LFP) active material. The three-dimensional morphology of the LFP electrode was reconstructed using a synchrotron X-ray nano-computed tomography at the Advanced Photon Source of the Argonne National. A 27 μm 3 cube from reconstructed structure was chosen as the RVE for the simulation purposes. The model was employed to predict the voltage curve in a half-cell during galvanostatic operations and validated with experimental data. The simulation results showed that the distribution of lithium inside the electrode microstructure is very different from the results obtained based on the single-particle model. The range of lithium concentration is found to be much greater, successfully illustrates the effect of microstructure heterogeneity.

25 ENERGY STORAGE↗
DOE OSTI2020

A constitutive model for sheared dense suspensions of rough particles

In a concentrated suspension, particles come into contact due to the presence of asperities on their surfaces. As a result, the contact forces and interparticle friction become one of the important factors governing the rheology of rigid particle suspensions at high concentrations. We show that a load-dependent friction model can be used to reproduce the experimentally observed shear thickening [ST—continuous and discontinuous (DST)] behavior with an increase in the asperity size. Increasing the particle surface roughness size leads to a decrease in the critical shear rate above which shear-thickening takes place, a reduction in the critical volume fraction for DST and an increase in the viscosity jump across non-shear-thickened to shear-thickened regime. In this paper, we propose a constitutive model to quantify the effect of increasing the roughness size on the rheology of dense ST suspensions as well as on the critical shear rate for ST and the critical volume fraction for DST. We fit this model to our simulation data for stress controlled shear flow of dense rough particle suspensions. Once the fitting is complete, these equations are used to predict exact volume fractions and shear stress values for transitions between three regimes on the shear stress-shear rate flow state diagram for different roughness values. Furthermore, the results of this study can be used to tune the particle surface roughness for manipulating the dense suspension rheology according to different applications.

42 ENGINEERING↗
NASA NTRS1990

Li-7 and Be-7 de-excitation lines - Probes for accelerated particle transport models in solar flares

The photon energy spectrum of a spectral feature composed of the 429 and 478 keV gamma-ray lines from Be-7 and Li-7 (produced by interactions of flare-accelerated alpha particles with ambient He in the solar atmosphere) depends on the angular distribution of the interacting accelerated particles. This spectrum is calculated for limb and disk-centered flares using a loop model for the transport of the ions. The resulting spectra are compared with data from the April 27, 1981 limb flare obtained with the gamma-ray spectrometer on SMM, providing convincing evidence for the existence of the (Li-7)-(Be-7) feature in this flare. By comparing the fluence of this feature with that of the 511 keV line, it is shown that the accelerated alpha particle abundance or the ambient He abundance, or both, must be enhanced.

Murphy, R. J.↗
DOE OSTI2015

Modeling of particle agglomeration in nanofluids

Agglomeration strongly influences the stability or shelf life of nanofluid. The present computational and experimental study investigates the rate of agglomeration quantitatively. Agglomeration in nanofluids is attributed to the net effect of various inter-particle interaction forces. For the nanofluid considered here, a net inter-particle force depends on the particle size, volume fraction, pH, and electrolyte concentration. A solution of the discretized and coupled population balance equations can yield particle sizes as a function of time. Nanofluid prepared here consists of alumina nanoparticles with the average particle size of 150 nm dispersed in de-ionized water. As the pH of the colloid was moved towards the isoelectric point of alumina nanofluids, the rate of increase of average particle size increased with time due to lower net positive charge on particles. The rate at which the average particle size is increased is predicted and measured for different electrolyte concentration and volume fraction. The higher rate of agglomeration is attributed to the decrease in the electrostatic double layer repulsion forces. The rate of agglomeration decreases due to increase in the size of nano-particle clusters thus approaching zero rate of agglomeration when all the clusters are nearly uniform in size. Predicted rates of agglomeration agree adequate enough with the measured values; validating the mathematical model and numerical approach is employed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Robust errant beam prognostics with conditional modeling for particle accelerators

Abstract Particle accelerators are complex and comprise thousands of components, with many pieces of equipment running at their peak power. Consequently, they can fault and abort operations for numerous reasons, lowering efficiency and science output. To avoid these faults, we apply anomaly detection techniques to predict unusual behavior and perform preemptive actions to improve the total availability. Supervised machine learning (ML) techniques such as siamese neural network models can outperform the often-used unsupervised or semi-supervised approaches for anomaly detection by leveraging the label information. One of the challenges specific to anomaly detection for particle accelerators is the data’s variability due to accelerator configuration changes within a production run of several months. ML models fail at providing accurate predictions when data changes due to changes in the configuration. To address this challenge, we include the configuration settings into our models and training to improve the results. Beam configurations are used as a conditional input for the model to learn any cross-correlation between the data from different conditions and retain its performance. We employ conditional siamese neural network (CSNN) models and conditional variational auto encoder (CVAE) models to predict errant beam pulses at the spallation neutron source under different system configurations and compare their performance. We demonstrate that CSNNs outperform CVAEs in our application.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Simplified spin dependence in dark matter direct detection

The interactions of dark matter with Standard Model particles can be systematically studied in the language of effective field theories. We investigate dark matter interactions with Standard Model particles, including spin-dependent interactions, for direct detection experiments and demonstrate that, although the scattering rate generally depends on multiple types of material response functions, certain linear combinations of these material response functions vanish if the initial and final electronic states share the same Hamiltonian. We also find that several other response functions vanish in parity-symmetric materials, making these systems as simple as isotropic detectors in some respects. Finally, we present the scattering rate for an anisotropic, possibly chiral detector, for generic dark matter-electron spin interactions. These relations reduce the number of independent response functions needed, thereby simplifying the computational complexity for a broad class of dark matter models. Our results provide a complete and efficient toolkit for analyzing electron recoil signals in diverse detector materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1989

The Li-7 and Be-7 deexcitation lines: Probes for accelerated particle transport models in solar flares

The photon energy spectrum of a spectral feature composed of the 429 and 478 keV gamma-ray lines from Li-7 and Be-7 (produced by interactions of flare-accelerated alpha particles with ambient He in the solar atmosphere) depends on the angular distribution of the interacting accelerated particles. This spectrum is calculated for limb and disc-centered flares using a loop model for the transport of the ions. In this model, the flux tube magnetic field is constant in the corona and converges in the chromosphere to the photosphere. Magnetic mirroring and MHD pitch-angle scattering are both taken into account. Comparison of these results with data from other experiments is presented.

Murphy, Ronald J.↗
DOE OSTI2015

The effects of QCD equation of state on the relic density of WIMP dark matter

Weakly Interactive Massive Particles (WIMPs) are the most widely studied candidate particles forming the cold dark matter (CDM) whose existence can be inferred from a wealth of astrophysical and cosmological observations. In the framework of the minimal cosmological model detailed measurements on the cosmic microwave background by the PLANCK collaboration fix the scaled CDM relic density to Ω{sub c}h{sup 2}=0.1193±0.0014, with an error of less than 1.5%. In order to fully exploit this observational precision, theoretical calculations should have a comparable or smaller error. In this paper we use recent lattice QCD calculations to improve the description of the thermal plasma. This affects the predicted relic density of “thermal WIMPs”, which once were in chemical equilibrium with Standard Model particles. For WIMP masses between 3 and 15 GeV, where QCD effects are most important, our predictions differ from earlier results by up to 9% (12%) for pure S-wave (P-wave) annihilation. We use these results to compute the thermally averaged WIMP annihilation cross section that reproduces the correct CDM relic density, for WIMP masses between 0.1 GeV and 10 TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Multiscale Computational Model for Particle Size Evolution during Coprecipitation of Li-Ion Battery Cathode Precursors

Next generation lithium ion batteries require higher energy and power density, which can be achieved by tailoring the cathode particle morphology, such as particle size, size distribution, and internal porosity. All these morphological features are determined during the cathode synthesis process, which consists of two steps, (i) coprecipitation and (ii) calcination. Transition metal hydroxide precursors are synthesized during the coprecipitation process, whereas their oxidation and lithiation occur during calcination. The size and size distribution of crystalline primary and aggregated secondary particles and their internal porosity are determined during coprecipitation. Operating conditions of the chemical reactor, such as solution pH, ammonia concentration, and stirring speed control the final morphological features. Here, a multiscale computational model has been developed to capture the nucleation and growth of crystalline primary particles and their aggregation into secondary transition metal hydroxide precursor particles. The simulations indicate that increasing solution pH and decreasing ammonia concentration lead to smaller sizes of the secondary particles. Finally, a phase map has been developed that can help identify the synthesis conditions needed for a specified particle size and size distribution.

25 ENERGY STORAGE↗
DOE OSTI2012

VUV 157nm laser ablation of spherical particles and modelling of whispering gallery mode optical antenna structures

We report on VUV 157nm F{sub 2} laser irradiation of CR-39 polymer substrates that have been intentionally seeded with spherical glass particles. We discuss the importance of adhesive forces for realizing spherical cavity structures by laser ablation. Strong optical absorption at 157nm in CR-39 enables precise control of pedestal height by controlling the laser fluence and the number of laser pulses. Resonant modes for free-standing spherical cavities have been calculated and we discuss briefly the potential applications for use as optical sources on-board lab-on-chip devices.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Optimized dark matter searches in deep observations of Segue 1 with MAGIC

We present the results of stereoscopic observations of the satellite galaxy Segue 1 with the MAGIC Telescopes, carried out between 2011 and 2013. With almost 160 hours of good-quality data, this is the deepest observational campaign on any dwarf galaxy performed so far in the very high energy range of the electromagnetic spectrum. We search this large data sample for signals of dark matter particles in the mass range between 100 GeV and 20 TeV. For this we use the full likelihood analysis method, which provides optimal sensitivity to characteristic gamma-ray spectral features, like those expected from dark matter annihilation or decay. In particular, we focus our search on gamma-rays produced from different final state Standard Model particles, annihilation with internal bremsstrahlung, monochromatic lines and box-shaped signals. Our results represent the most stringent constraints to the annihilation cross-section or decay lifetime obtained from observations of satellite galaxies, for masses above few hundred GeV. In particular, our strongest limit (95% confidence level) corresponds to a ∼500 GeV dark matter particle annihilating into τ{sup +}τ{sup −}, and is of order <σ{sub ann}v>≃ 1.2×10{sup −24} cm{sup 3} s{sup −1} — a factor ∼40 above the <σ{sub ann}v>≃ thermal value.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Exact Calculation of Nonideal Fields Demonstrates Their Dominance of Injection in Relativistic Reconnection

Magnetic reconnection is an important source of energetic particles in systems ranging from astrophysics to the laboratory. The large separation of spatiotemporal scales involved makes it critical to determine the minimum physical model containing the necessary physics for modeling particle acceleration. Here, by resolving the energy gain from ideal and nonideal magnetohydrodynamic electric fields self-consistently in kinetic particle-in-cell simulations of reconnection, we conclusively show the dominant role of the nonideal field for the early stage of energization known as injection. The importance of the nonideal field increases with magnetization, guide field, and in three dimensions, indicating its general importance for reconnection in natural astrophysical systems. We obtain the statistical properties of the injection process from the simulations, paving the way for the development of extended MHD models capable of accurately modeling particle acceleration in large-scale systems. The novel analysis method developed in this study can be applied broadly to give new insight into a wide range of processes in plasma physics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

The dynamics of aloof baby Skyrmions

The aloof baby Skyrme model is a (2+1)-dimensional theory with solitons that are lightly bound. It is a low-dimensional analogue of a similar Skyrme model in (3+1)- dimensions, where the lightly bound solitons have binding energies comparable to nuclei. A previous study of static solitons in the aloof baby Skyrme model revealed that multi-soliton bound states have a cluster structure, with constituents that preserve their individual identities due to the short-range repulsion and long-range attraction between solitons. Furthermore, there are many different local energy minima that are all well-described by a simple binary species particle model. In this paper we present the first results on soliton dynamics in the aloof baby Skyrme model. Numerical field theory simulations reveal that the lightly bound cluster structure results in a variety of exotic soliton scattering events that are novel in comparison to standard Skyrmion scattering. A dynamical version of the binary species point particle model is shown to provide a good qualitative description of the dynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1987

The influence of strong hydromagnetic turbulence on newborn cometary ions

By means of a test particle model, the time evolution of the velocity distribution function of newborn cometary ions in the presence of strong hydromagnetic turbulence is studied. The test particle model employs a realistic spectrum of hydromagnetic turbulence corresponding to the observations of the International Cometary Explorer spacecraft at Comet Giacobini-Zinner. It is found that pitch-angle scattering processes can rapidly result in the formation of the shell distribution which has been observed near Comets Giacobini-Zinner and Halley. The model also indicates that radial diffusion in velocity space develops on a much longer time scale.

Price, C. P.↗