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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 OSTI2024

Microgrid Frequency Stability: A Proactive Scheme Based on Dynamic Predictions

The dynamic nature of microgrids introduces challenges in the context of frequency stability. This work presents a framework where the future state of microgrid frequency is predicted and corrective actions are optimized. Predictions are generated through Bayesian filters leveraging synchronized data acquired via PMUs. Taking a proactive approach makes it possible to optimize corrective actions considering dynamic system conditions. Testing is conducted via Matlab simulations. The performance of the solution presented in this work is compared to traditional load-shedding schemes and to predictive solutions found in literature. The results indicate that the proposed framework outperforms both. Some of the advantages of this framework include a reduction in amount of load dropped during compensation, the use of adaptive parameters which eliminates the need to simulate contingency conditions, and dynamic uncertainty quantification provided the particle filter.

Paramo, Gian↗
NASA NTRS1993

Models for dynamic surface temperatures during rarefied aeropass maneuvers

New models for calculating dynamic surface temperatures in a direct simulation Monte Carlo particle method during atmospheric entry are described. The models take into account the radiative emissivity, thermal conductivity, and heat capacity of the material. They are applied to thin panels in a highly rarefied flows and yield the transient thermal response of individual surface facets. Simulation results for radiation panels with internal conductivity are verified by comparing them with free molecule theory.

Haas, Brian L.↗
DOE OSTI2025

Particle Acceleration in Collisionless Magnetically Arrested Disks

We present the first collisionless realization of two-dimensional axisymmetric black hole accretion consistent with a persistent magnetically arrested disk state. The accretion flow, consisting of an ion-electron disk plasma combined with magnetospheric pair creation effects, is simulated using first-principles general-relativistic particle-in-cell methods. The simulation is evolved over significant dynamical timescales during which a quasisteady accretion state is reached with several magnetic flux eruption cycles. We include a realistic treatment of inverse Compton scattering and pair production, which allows for studying the interaction between the collisionless accretion flow and pair-loaded jet. Our findings indicate that magnetic flux eruptions associated with equatorial magnetic reconnection within the black hole magnetosphere and the formation of spark gaps are locations of maximal particle acceleration. Flux eruptions, starting near the central black hole, can trigger Kelvin-Helmholtz-like vortices at the jet-disk interface that facilitate efficient mixing between disk and jet plasma in this region. Transient periods of increased pair production following magnetic flux eruptions and reconnection events are responsible for most of the highly accelerated particles.

Accretion disk & black-hole plasma↗
NASA NTRSDate not supplied

Enhanced Flight Dynamics Models with Aerodynamic Interference for Real-Time Simulation of VTOL Concept Vehicles

In an effort to establish common models to support the Advanced Air Mobility (AAM) community, NASA has designed a fleet of VTOL configuration reference models. Advanced Rotorcraft Technologies (ART) in cooperation with the NASA Ames Aeromechanics branch has developed FLIGHTLAB simulation models for several of these AAM VTOL concept vehicles. These simulation models are real-time capable while maintaining accurate flight dynamic characteristics with enhanced interference simulation by extracting important modeling parameters from Viscous Vortex Particle Method (VVPM). The focus of this paper is threefold. First, it introduces the simulation models developed and describes their modeling characteristics important to control and flight dynamics simulation. Second, the method for deriving the interference coefficients between model components such as rotors and wings is outlined. Implementation of the method for the lift+cruise and tiltwing models are discussed in detail. Third, the accuracy of the interference enhancement is assessed, with emphasis placed on the impacts to trim and flight dynamic characteristics. The interference enhancement method is further used to evaluate configuration design decisions by quantifying performance aspects of interference. This research effort culminated in simulation models for the AAM VTOL concept vehicles, with proper interference and real-time capability.

Flight Dynamics↗
DOE OSTI2025

Breaking the curse of dimensionality: Solving configurational integrals for crystalline solids by tensor networks

Accurately evaluating configurational integrals for dense solids remains a central and difficult challenge in the statistical mechanics of condensed systems. Here, we present a tensor network approach that reformulates the high-dimensional configurational integral for identical-particle crystals into a sequence of computationally efficient summations. We represent the integrand as a high-dimensional tensor and apply tensor-train (TT) decomposition together with a custom TT-cross interpolation. This approach circumvents the need to explicitly construct the full tensor. We introduce tailored rank-1 and rank-2 schemes optimized for sharply peaked Boltzmann probability densities, typical for identical-particle crystals. When applied to the calculation of internal energy and pressure-temperature curves for crystalline Cu and Ar at high (GPa) pressures, as well as the alpha-to-beta phase transition diagram of Sn, our method accurately reproduces molecular dynamics simulation results using tight-binding, machine learning, hierarchical interacting particle–neural network, and modified embedded atom method potentials,all within seconds of computation time.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Advancing Multiscale Simulation of Plasma-Surface Interfaces

We report the development of an atomistic-informed, surface-state-dependent predictive model for particle exchange in a carbon-tungsten plasma-surface interface. The predictive model uses machine learning (ML) techniques to learn the energy and angular distributions for particle exchange and rate functions for surface state evolution from molecular dynamics simulations of cumulative bombardment of tungsten by energetic carbon ions. Each predictive component is sensitive to the energy and trajectory of incident plasma species and the surface state. The surface state is represented by a set of surface state descriptors, which were derived from the atomistic surface state for each independent carbon bombardment event. These descriptors are representative of the composition and degree of amorphization of the outermost angstrom of surface material and were chosen to optimize predictive performance for particle exchange at the interface. The distributions for particle exchange (reflection/sputtering) are demonstrated to vary with each surface state descriptor, motivating the development of surface-state-dependent particle exchange models for plasma simulations. The performance of various ML methods was compared, including polynomial quantile regression, artificial neural networks, k-nearest neighbors, and random forest algorithms, with polynomial regression performing the best for interpolation and extrapolation of learned relationships. In addition to the particle exchange model, a neutral network was developed and used to identify data sufficiency throughout surface descriptor space, which will enable real-time feedback during future data production to ensure data is produced where it is most needed, and we provide commentary on improvements to the data production workflow for future endeavors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Novel data interpretation method for DIII-D divertor retarding field energy analyzer with 3-D particle-in-cell simulations

A novel data interpretation process that utilizes comprehensive particle-in-cell (PIC) simulations is developed for the new retarding field energy analyzer (RFEA) currently being constructed at DIII-D for the lower divertor using the Divertor Material Evaluation System. Furthermore, this probe is expected to survive a heat load of up to 100 MW/m 2 for up to 5 s and reliably measure the main ion temperature (T i ) on the divertor target ranging from 10 to 200 eV. These extreme conditions posed significant engineering limitations on the probe geometry, thus extensive validation work has been performed. The conventional fitting method for the RFEA I–V characteristics is based on a simplified 1-D model without considering the ion space charge inside the probe cavity and may not be sufficient for probes designed for the DIII-D divertor environment. In this article, a more realistic description of the particle propagation process within the RFEA cavity is achieved by including both 3-D geometric effects and ion space charge in the PIC simulations, and the capability to reconstruct the ion energy distribution functions is demonstrated with reasonable consistency.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRSDate not supplied

The Effect of Stochastic Acceleration on the Dynamics of Solar Energetic Particles in the Heliosphere

Solar Energetic Particles (SEPs) are crucial in space weather phenomena, impacting space-based technologies and human activities in space. Understanding the dynamics of SEPs, including their acceleration and transport mechanisms, is essential for improving predictive models and mitigating adverse effects. This study investigates the impact of stochastic acceleration (SA) on the dynamics of SEPs within the heliosphere. By integrating stochastic acceleration into a SEP transport model, we assess its impact relative to diffusive shock acceleration (DSA). The investigation utilizes the Adaptive Mesh Particle Simulator (AMPS) within the Space Weather Modeling Framework (SWMF) to simulate SEP dynamics, incorporating solar wind parameters and turbulence from the Alfven Wave Solar Model (AWSoM). To do this, we solve the focused transport equation to model the propagation of SEPs along magnetic field lines, extending these lines to 5 AU to incorporate the potential effects of pitch angle scattering beyond 1 AU. This aspect could notably impact the decay phase of a SEP event. Modeling the transport of SEPs is coupled with the simulation of solar wind dynamics, the interplanetary magnetic field, and the characteristics of Alfven wave turbulence. This presentation covers the modeling approach used in this research, the characterization of the impact of the stochastic acceleration, and the role of pitch angle scattering at various heliocentric distances on the dynamics of the SEP events' decay phase.

SEP↗
DOE OSTI2026

Dynamic evolution of ultracold electron beams from nanostructured cathodes

Dynamic Coulomb expansion of dense, nonuniform particle beamlets can lead to causticlike formations in the charge density profile of the resultant beam. Such features only occur for cold beams where thermal diffusion of the particles is minimized. These phenomena have been observed experimentally for select cases with ion beams but not yet for electron beams as the electron dynamics occur over far faster timescales. We simulate the interaction of electron bunches while varying the initial transverse temperature and density profiles to determine the thresholds that characterize this pattern formation. Furthermore, we extend the simulations to geometric arrangements that are more pertinent to the nanotip cathode application and consider the effects of asymmetries and the impact of a low-density halo on the overall process. The simulations are conducted using a previously documented high-fidelity algorithm for collisional particle dynamics. These studies identify the temperature and density thresholds required for caustic formation and provide guidance for optimizing the design of nanoscale structured cathodes. We also demonstrate that the correlation between the final density patterns and the underlying beam parameters enables a virtual diagnostic tool for measuring ultralow emittance beams solely based on a transverse charge density profile.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Simulations of coherent electron cooling with two types of amplifiers

The SPACE code is a parallel, relativistic, three-dimensional, electromagnetic, particle-in-cell code developed for the simulations of beam dynamics and interactions. The SPACE code can perform simulations with various beam distributions, different types of boundary conditions, and flexible beam line, as well as provide sufficient processing routines for data analyses and visualization. Finally, self-consistent, highly resolved and realistic simulations were performed using the SPACE code to study the coherent electron cooling (CeC) experiment with two types of amplifiers, the free electron laser (FEL) and plasma-cascade micro-bunching amplifiers.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Hybrid-gyrokinetic simulations of low- n toroidal Alfvén eigenmodes using gKPSP

Here, we report a benchmark study of toroidal Alfvén eigenmode (TAE) simulation using the hybrid-gyrokinetic code GyroKinetic Plasma Simulation Program (gKPSP). A simulation capability for energetic particles based on the gyrokinetic δf method has been newly implemented in the gKPSP code. Benchmark simulations have been performed in both circular and realistic tokamak geometries. Good agreement has been found with previously reported results, demonstrating the new capability of the gKPSP code. We have investigated the effects of the distribution function on TAE stability by examining both isotropic and anisotropic slowing-down distributions of energetic particles. The slowing-down distribution produces a higher linear growth rate than a Maxwellian distribution, while a growth rate scan with the anisotropy shows an opposite trend. This can be attributed to competition between Landau damping and the linear drive, which are correlated with the fraction of resonant passing particles and their distribution in phase space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Multi-scale computer-aided design and photo-controlled macromolecular synthesis boosting uranium harvesting from seawater

By integrating multi-scale computational simulation with photo-regulated macromolecular synthesis, this study presents a new paradigm for smart design while customizing polymeric adsorbents for uranium harvesting from seawater. A dissipative particle dynamics (DPD) approach, combined with a molecular dynamics (MD) study, is performed to simulate the conformational dynamics and adsorption process of a model uranium grabber, i.e., PAO m -b-PPEGMA n , suggesting that the maximum adsorption capacity with atomic economy can be achieved with a preferred block ratio of 0.18. The designed polymers are synthesized using the PET-RAFT polymerization in a microfluidic platform, exhibiting a record high adsorption capacity of uranium (11.4 ± 1.2 mg/g) in real seawater within 28 days. This study offers an integrated perspective to quantitatively assess adsorption phenomena of polymers, bridging metal-ligand interactions at the molecular level with their spatial conformations at the mesoscopic level. The established protocol is generally adaptable for target-oriented development of more advanced polymers for broadened applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Numerical simulations of liquid jetting with solid inclusions

The dynamics of finite-sized particles in fluids, and their influence on the overall flow, are of great interest across several industrial, environmental, and medical fields. In the context of inkjet printing, the presence of solid inclusions can be either intentional, as in additive manufacturing, or unintentional, as in standard printing processes. These inclusions can strongly impact the jetting process, causing effects such as jet asymmetry, bubble entrapment, and the formation of satellite droplets. Understanding and controlling particle behavior is therefore essential, particularly to predict how and when particles are ejected over multiple jetting cycles. It is therefore critical to develop reliable models that allow for a deeper understanding of the complex interplay between particle and fluid during the whole printing process. To address this, we present a tailored implementation of the Color-Gradient multicomponent Lattice Boltzmann Method for fully resolved three-dimensional (3D) simulations of multicycle liquid jetting with particles. Our method supports realistic parameter settings aligned with industrial inkjet systems, and we provide both qualitative and quantitative validation against experimental data. Additionally, we introduce a simplified model based on the Stokes drag law, in which solid particles are represented as point particles and do not influence the fluid flow. Despite this limitation, the model offers a computationally efficient means to explore the vast parameter space typically encountered in industrial applications, allowing, e.g., identifying critical ejection regions and estimating the number of cycles required for particle release. These qualitative insights are valuable for guiding and complement fully two-way coupled simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Direct implicit and explicit energy-conserving particle-in-cell methods for modeling of capacitively coupled plasma devices

Achieving large-scale kinetic modeling is a crucial task for the development and optimization of modern plasma devices. With the trend of decreasing pressure in applications, such as plasma etching, kinetic simulations are necessary to self-consistently capture the particle dynamics. The standard, explicit, electrostatic, momentum-conserving particle-in-cell method suffers from restrictive stability constraints on spatial cell size and temporal time step, requiring resolution of the electron Debye length and electron plasma period, respectively. This results in a very high computational cost, making the technique prohibitive for large volume device modeling. We investigate the direct implicit algorithm and the explicit energy conserving algorithm as alternatives to the standard approach, both of which can reduce computational cost with a minimal (or controllable) impact on results. These algorithms are implemented into the well-tested EDIPIC-2D and LTP-PIC codes, and their performance is evaluated via 2D capacitively coupled plasma discharge simulations. The investigation reveals that both approaches enable the utilization of cell sizes larger than the Debye length, resulting in a reduced runtime, while incurring only minor inaccuracies in plasma parameters. The direct implicit method also allows for time steps larger than the electron plasma period; however, care must be taken to avoid numerical heating or cooling. It is demonstrated that by appropriately adjusting the ratio of cell size to time step, it is possible to mitigate this effect to an acceptable level.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

CMS Full Simulation for Run 3

We report the status of the CMS full simulation for Run 3. During the long shutdown of the LHC a significant update has been introduced to the CMS code for simulation. The CMS geometry description is reviewed. Several important modifications were needed. CMS detector description software is migrated to the DD4Hep community developed tool. We will report on our experience obtained during the process of this migration. Geant4 10.7 is the CMS choice for Run 3 simulation productions. We will discuss arguments for this choice, the strategy of adaptation of a new Geant4 version, and will report on the physics performance of the CMS simulation. A special Geant4 Physics List configuration FTFP_BERT_EMM will be described, which provides a compromise between simulation accuracy and CPU performance. A significant fraction of time for simulation of CMS events is spent on tracking of charged particles in a magnetic field. In the CMS simulation a dynamic choice of Geant4 parameters for tracking in field is implemented. A new method is introduced into simulation of electromagnetic components of hadronic showers in the electromagnetic calorimeter of CMS. For low-energy electrons and positrons a parametrization of GFlash type is applied. Results of tests of this method will be discussed. In summary, we expect about 25% speedup of the CMS simulation production for Run 3 compared to the Run 2 simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Method to determine the electron–ion temperature relaxation rate from test particle distributions

Here a method to calculate the electron–ion energy exchange rate from the forces on and velocities of an ensemble of test particles is described. The essence of the method is that the energy exchange rate is related to the covariance between the distribution of velocities of test particles and the forces acting on them. The energy exchange rate is related to the electron–ion temperature relaxation rate in the limit of a low test particle speed. A proof of concept is conducted with first-principles molecular dynamics simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Beam Dynamics Simulations of Transient Beam Loading Effects in the 10GeV EIC Electron Storage Ring

We report on beam dynamics studies of transient beam loading effects in the 10 GeV EIC electron storage ring [1]. The studies are carried out with time-dependent Vlasov-Fokker-Planck simulations performed with the parallel, particle tracking code SPACE [2], which allows to follow self-consistently the dynamics of h bunches, where h in the number of RF buckets, in arbitrary multi-bunch configurations. The specific goal of the numerical simulations is to determine stable RF cavity settings under heavy beam loading. We also study the option to operate with a passive, third-harmonic cavity (3HC) system for bunch lengthening, addressing both stability and the performance limitation due to a gap in the uniform filling pattern for ion clearing.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Validation of finite element analysis strategy to investigate acoustic levitation in a two-axis acoustic levitator

A two-axis acoustic levitator can be used to generate a standing pressure wave capable of levitating solid and liquid particles at appropriate input conditions. This work proposes a simulation framework to investigate the two-axis levitation particle stability using a commercial, computational fluid dynamics software based on the harmonic solution to the acoustic wave equation. The simulation produced predictions of the standing wave that include a strong "+" shaped pattern of nodes and anti-nodes that are aligned with the levitator axes. To verify the simulation, a levitator was built and used to generate the standing wave. The field was probed with a microphone and a motorized-scanning system. After scaling the simulated pressure to the measured pressure, the magnitudes of the sound pressure level at corresponding high-pressure locations were different by no more than 5%. This is the first time a measurement of a two-axis levitator standing pressure wave has been presented and shown to verify simulations. Furthermore, as an additional verification, the authors consulted high speed camera measurements of a reference-levitator transducer, which was found to have a maximum peak-to-peak displacement of 50 +/- 5 mu m. The reference-levitator is known to levitate water at 160 dB. The system for this work was simulated to match the operation of the reference-levitator so that it produced sound pressure levels of 160 dB. This pressure was achieved when the transducer maximum peak-to-peak displacement was 50.8 mu m. The agreement between the two levitators' displacements provides good justification that the modeling approach presented here produces reliable results.

2 axis levitator↗