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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A Study on Particle Trajectory Error in Finite-Element Particle-in-Cell Algorithms

Particle-in-cell (PIC) algorithms are widely used for the simulation of kinetic plasmas. PIC algorithms account for the interaction between charged particles in a plasma and the electromagnetic field in ambient space, including self-field interactions. The objective of this article is to study the error in charged particle trajectories present in finite-element (FE)-based PIC algorithms on unstructured meshes. We study how the trajectory error behaves according to the FE mesh resolution and the matrix solver employed in the FE algorithm. The study is performed by considering a trajectory established by a parabolic electric potential and an axial magnetic force acting on the charged particle. Under a proper choice combination of electric and magnetic field parameters, the 2-D particle trajectories comprise closed orbits. Numerical errors cause small perturbations on the trajectories, with cumulative effects. As a result, the resulting orbital trajectories exhibit distortions including spurious apsidal precession. These distortions provide a clear imprint of the numerical error. Here, we also study the numerical error in a quantitative fashion by computing the distance norm between the trajectories obtained by the exact fields and numerical fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Advances in High-Power Wireless Charging Systems: Overview and Design Considerations

Wireless charging systems are foreseen as an effective solution to improve the convenience and safety of conventional conductive chargers. As this technology has matured, recent broad applications of wireless chargers to electrified transportation have indicated a trend toward higher power, power density, modularity, and scalability of designs. In this article, commercial systems and laboratory prototypes are reviewed, focusing mostly on the advances in high-power wireless charging systems. The recent endeavors in magnetic pad designs, compensation networks, power electronics converters, control strategies, and communication protocols are illustrated. Both stationary and dynamic (in-motion) wireless charging systems are discussed, and critical differences in their designs and applications are emphasized. On that basis, the comparisons among different solutions and design considerations are summarized to present the essential elements and technology roadmap that will be necessary to support large-scale deployment of high-power wireless charging systems. The review is concluded with the discussion of several fundamental challenges and prospects of high-power wireless power transfer (WPT) systems. Foreseen challenges include utilization of advanced materials, electric and electromagnetic field measurement and mitigation, customization, communications, power metering, and cybersecurity.

25 ENERGY STORAGE↗
DOE OSTI2016

Morphological and chemical changes of aerosolized E. coli treated with a dielectric barrier discharge

This paper presents the morphological and chemical modification of the cell structure of aerosolized Escherichia coli treated with a dielectric barrier discharge (DBD). Exposure to DBD results in severe oxidation of the bacteria, leading to the formation of hydroxyl groups and carbonyl groups and a significant reduction in amine functionalities and phosphate groups. Near edge x-ray absorption fine structure(NEXAFS) measurements confirm the presence of additional oxide bonds upon DBD treatment, suggesting oxidation of the outer layer of the cell wall. Electron microscopy images show that the bacteria undergo physical distortion to varying degrees, resulting in deformation of the bacterial structure. The electromagnetic field around the DBD coil causes severe damage to the cell structure, possibly resulting in leakage of vital cellular materials. The oxidation and chemical modification of the bacterial components are evident from the Fourier transform infrared spectroscopy and NEXAFS results. The bacterial reculture experiments confirm inactivation of airborne E. coli upon treating with DBD.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Terahertz lightwave control of non-equilibrium phases and collective modes in multi-band superconductors

A gauge-invariant density matrix approach is presented to describe the non-equilibrium dynamics of multiband superconductors after photo-excitation. The derived gauge-invariant Bloch equations extend the Anderson pseudo-spin precession model by fully incorporating the center-of-mass motion of Cooper pairs. We also describe lightwave propagation effects inside a superconducting film by including the self-consistent interaction of the photo-excited superconducting system with the propagating electromagnetic field inside the superconductor using Maxwell's equations.

Mootz, Martin↗
DOE OSTI2014

WE-G-BRE-05: Nanoparticle-Aided Microwave Hyperthermia Is Accompanied By Free Radical Generation and Enhanced Cell Kill

Purpose: Hyperthermia, an established method of cancer treatment used in adjuvant to radiation and chemotherapy, can utilize metallic nanoparticles (NPs) for tumor heating with a microwave electromagnetic field. The high surface-area-to-volume ratio of nanoparticles makes them effective catalysts for free radical generation, thus amplifying the cell-killing effect of hyperthermia. We explore the effect of gold and platinum NPs in generating free radicals in aqueous media under a microwave field. Methods: Spin trap 5,5-Dimethyl-1-pyrroline-N-oxide (DMPO) was mixed separately with 3.2 nm Mesogold and Mesoplatinum colloidal nanoparticle suspensions in deionized water to trap radicals. The mixtures were injected into a number of glass capillaries and exposed to the 9.68GHz microwave field of an electron paramagnetic resonance (EPR) spectrometer. The microwave radiation from the spectrometer served to both generate and detect the trapped radicals. Each sample was scanned at 12mW microwave power to obtain the initial signal of hydroxyl radicals (OH.), then at 39.8mW followed by 79.8 or 125mW, and finally re-scanned at 12mW. Radical signal intensities obtained by double integration of EPR spectra from the initial and the final scans were then compared. Results: Nanoparticle samples had no intentionally-added free radicals before the initial measurement. While samples with DMPO-water solution showed no OH. signal, all those with AuNPs or PtNPs developed an OH. signal during their first exposure to the microwave field. Depending upon the applied microwave power and time interval between the initial and the final EPR scans, an OH. intensity increase of ∼10-60% was found. This contradicts the typical trend of exponential decay of the OH. signal with time. Conclusion: The consistent increase in OH. intensity establishes that gold and platinum nanoparticles facilitate free radical generation under microwave irradiation. Our results suggest that NP-aided hyperthermia is accompanied by the generation of free radicals, which enhance the cell-killing effects of hyperthermia.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Development of computational small animal models and their applications in preclinical imaging and therapy research

The development of multimodality preclinical imaging techniques and the rapid growth of realistic computer simulation tools have promoted the construction and application of computational laboratory animal models in preclinical research. Since the early 1990s, over 120 realistic computational animal models have been reported in the literature and used as surrogates to characterize the anatomy of actual animals for the simulation of preclinical studies involving the use of bioluminescence tomography, fluorescence molecular tomography, positron emission tomography, single-photon emission computed tomography, microcomputed tomography, magnetic resonance imaging, and optical imaging. Other applications include electromagnetic field simulation, ionizing and nonionizing radiation dosimetry, and the development and evaluation of new methodologies for multimodality image coregistration, segmentation, and reconstruction of small animal images. This paper provides a comprehensive review of the history and fundamental technologies used for the development of computational small animal models with a particular focus on their application in preclinical imaging as well as nonionizing and ionizing radiation dosimetry calculations. An overview of the overall process involved in the design of these models, including the fundamental elements used for the construction of different types of computational models, the identification of original anatomical data, the simulation tools used for solving various computational problems, and the applications of computational animal models in preclinical research. The authors also analyze the characteristics of categories of computational models (stylized, voxel-based, and boundary representation) and discuss the technical challenges faced at the present time as well as research needs in the future.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2023

Tomography of ultrarelativistic nuclei with polarized photon-gluon collisions

A linearly polarized photon can be quantized from the Lorentz-boosted electromagnetic field of a nucleus traveling at ultrarelativistic speed. When two relativistic heavy nuclei pass one another at a distance of a few nuclear radii, the photon from one nucleus may interact through a virtual quark-antiquark pair with gluons from the other nucleus, forming a short-lived vector meson (e.g., ρ 0 ). In this experiment, the polarization was used in diffractive photoproduction to observe a unique spin interference pattern in the angular distribution of ρ 0 → π + π – decays. The observed interference is a result of an overlap of two wave functions at a distance an order of magnitude larger than the ρ0 travel distance within its lifetime. The strong-interaction nuclear radii were extracted from these diffractive interactions and found to be 6.53 ± 0.06 fm ( 197 Au) and 7.29 ± 0.08 fm ( 238 U), larger than the nuclear charge radii. The observable is demonstrated to be sensitive to the nuclear geometry and quantum interference of nonidentical particles.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Simulation of the frequency dispersion of effective dielectric characteristics of composite materials

The problems of calculating the effective dielectric characteristics of polycrystalline materials are considered taking into account the frequency dependence of the characteristics of individual components. The effective characteristics of ceramics such as lead zirconate-titanate with titanium and zirconium oxide, metal lead, and water inclusions are calculated in the Maxwell-Garnett and Bruggeman approximations. The dependences of the effective dielectric characteristics on the inclusion concentration and applied electromagnetic-field frequency are obtained.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Monolithic multigrid methods for two-dimensional resistive magnetohydrodynamics

Magnetohydrodynamic (MHD) representations are used to model a wide range of plasma physics applications and are characterized by a nonlinear system of partial differential equations that strongly couples a charged fluid with the evolution of electromagnetic fields. The resulting linear systems that arise from discretization and linearization of the nonlinear problem are generally difficult to solve. In this paper, we investigate multigrid preconditioners for this system. We consider two well-known multigrid relaxation methods for incompressible fluid dynamics: Braess--Sarazin relaxation and Vanka relaxation. We first extend these to the context of steady-state one-fluid viscoresistive MHD. Then we compare the two relaxation procedures within a multigrid-preconditioned GMRES method employed within Newton's method. To isolate the effects of the different relaxation methods, we use structured grids, inf-sup stable finite elements, and geometric interpolation. Furthermore, we present convergence and timing results for a two-dimensional, steady-state test problem.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Monolithic Multigrid Methods for Magnetohydrodynamics

The magnetohydrodynamics equations model a wide range of plasma physics applications and are characterized by a nonlinear system of partial differential equations that strongly couples a charged fluid with the evolution of electromagnetic fields. After discretization and linearization, the resulting system of equations is generally difficult to solve due to the coupling between variables and the heterogeneous coefficients induced by the linearization process. In this paper, we investigate multigrid preconditioners for this system based on specialized relaxation schemes that properly address the system structure and coupling. Here, three extensions of Vanka relaxation are proposed and applied to problems with up to 170 million degrees of freedom and fluid and magnetic Reynolds numbers up to 400 for stationary problems and up to 20,000 for time-dependent problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Dynamics of hot QCD matter 2024 — Bulk properties

The second Hot QCD Matter 2024 conference at IIT Mandi focused on various ongoing topics in high-energy heavy-ion collisions, encompassing theoretical and experimental perspectives. This proceedings volume includes 19 contributions that collectively explore diverse aspects of the bulk properties of hot QCD matter. The topics encompass the dynamics of electromagnetic fields, transport properties, hadronic matter, spin hydrodynamics, and the role of conserved charges in high-energy environments. These studies significantly enhance our understanding of the complex dynamics of hot QCD matter, the quark–gluon plasma (QGP) formed in high-energy nuclear collisions. Advances in theoretical frameworks, including hydrodynamics, spin dynamics and fluctuation studies, aim to improve theoretical calculations and refine our knowledge of the thermodynamic properties of strongly interacting matter. Experimental efforts, such as those conducted by the ALICE and STAR collaborations, play a vital role in validating these theoretical predictions and deepening our insight into the QCD phase diagram, collectivity in small systems, and the early-stage behavior of strongly interacting matter. In conclusion, combining theoretical models with experimental observations offers a comprehensive understanding of the extreme conditions encountered in relativistic heavy-ion and proton-proton collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

SCEPTRE v. 2.0 (Sandia Computational Engine for Particle Transport for Radiat

SCEPTRE solves the linear Boltzmann transport equation for general one-, two- and three-dimensional unstructured-mesh Cartesian geometries. SCEPTRE can handle any particle type for which multigroup-Legendre cross sections are available. However, the code is designed primarily to model the transport of photons, electrons, and positrons through matter. SCEPTRE 2.0 includes several auxiliary packages for pre- and post-processing, regression testing, stochastic radiation transport, thermal radiation transport, and charged-particle transport in the presence of electromagnetic fields. SCEPTRE 2.0 includes sophisticated transport-synthetic acceleration and ray-effects mitigation capabilities.

Pautz, Shawn↗
DOE OSTI2020

Real-time time-dependent density functional theory in Quantum Espresso and related codes

A set of subroutines that interact with an existing computer program, Quantum Espresso (QE), that takes a set of electronic orbitals from QE and propagates them forward in time in response to a number of perturbations. These perturbations include the motion of ions and a wide spectrum of applied electromagnetic fields (e.g., static magnetic fields, slowly-varying electric fields, x-rays, etc.). From the time evolution of the electronic orbitals comes time-varying values of physical observables like the electronic charge and current densities and atomic forces. These are further post-processed to yield properties of interest like stopping powers, conductivities, and the dynamic structure factor. The electronic orbitals are described in a plane wave basis and the equations of motion are carried out using a unitary or approximately unitary time propagation algorithm. Related work will include subroutines for interfacing this capability, as well as others that already exist within QE, with a fork of QE that is more extensible and modular.SAND2019-12611 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Baczewski, Andrew↗
DOE OSTI2017

Drekar v.2.0

Drekar is an application code that solves partial differential equations for fluids that can be optionally coupled to electromagnetics. Drekar solves low-mach compressible and incompressible computational fluid dynamics (CFD), compressible and incompressible resistive magnetohydrodynamics (MHD), and multiple species plasmas interacting with electromagnetic fields. Drekar discretization technology includes continuous and discontinuous finite element formulations, stabilized finite element formulations, mixed integration finite element bases (nodal, edge, face, volume) and an initial arbitrary Lagrangian Eulerian (ALE) capability. Drekar contains the implementation of the discretized physics and leverages the open source Trilinos project for both parallel solver capabilities and general finite element discretization tools. The code will be released open source under a BSD license. The code is used for fundamental research for simulation of fluids and plasmas on high performance computing environments.

Seefeldt, Ben↗
DOE OSTI2025

HiTEM

SAND2025-03438O HiTEM3d v1.0 is a user-friendly software designed to simulate how electromagnetic signals move through large geological environments, particularly around wellbores. It helps geophysicists and resource explorers understand subsurface conditions more effectively and affordably. By simplifying complex geological models, HiTEM3d allows users to visualize and analyze electromagnetic fields, making it easier to identify valuable resources like minerals or water. Its efficient processing capabilities ensure quick results, making it an essential tool for anyone involved in geophysical research or exploration. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Weiss, Chester [Sandia National Lab. (SNL-CA), Liv↗
DOE OSTI2024

Model-predictive optimal control of ferrofluidic microrobots in three-dimensional space

Ferrofluid microrobots have emerged as promising tools for minimally invasive medical procedures. Their unique properties to navigate complex fluids and reach otherwise inaccessible regions of the human body have enabled new applications in targeted drug delivery, tissue engineering, and diagnostics. Here, this paper proposes a model-predictive controller for the external magnetic manipulation of ferrofluid microrobots in three dimensions (3D). The internal optimization routine of the controller determines appropriate changes in the applied electromagnetic field to minimize the deviation between the actual and desired trajectories of the microrobot. A linear system governing locomotion is derived and used as the equality constraints of the optimization problems associated with the feedback index. In addition to ferrofluid droplets, the controller presented in this work may be applied to other magnetically-pulled microrobots. Several experiments are performed to validate the controller and showcase its ability to adapt to changes in system parameters such as the desired tracking trajectory and the size, orientation, deformation, and velocity of the microrobot. The accuracy of the controller is analyzed for each experiment, and the average error is found to be within 0.25 mm for small velocities. An additional experiment is performed to demonstrate significant improvement over a PID controller that is optimally tuned using Bayesian optimization. The results presented in this paper suggest that the proposed control algorithm could enable new microrobotic capabilities in minimally invasive medical procedures, lab-on-a-chip applications, and microfluidics.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Quantum annealing-aided design of an ultrathin-metamaterial optical diode

Abstract Thin-film optical diodes are important elements for miniaturizing photonic systems. However, the design of optical diodes relies on empirical and heuristic approaches. This poses a significant challenge for identifying optimal structural models of optical diodes at given wavelengths. Here, we leverage a quantum annealing-enhanced active learning scheme to automatically identify optimal designs of 130 nm-thick optical diodes. An optical diode is a stratified volume diffractive film discretized into rectangular pixels, where each pixel is assigned to either a metal or dielectric. The proposed scheme identifies the optimal material states of each pixel, maximizing the quality of optical isolation at given wavelengths. Consequently, we successfully identify optimal structures at three specific wavelengths (600, 800, and 1000 nm). In the best-case scenario, when the forward transmissivity is 85%, the backward transmissivity is 0.1%. Electromagnetic field profiles reveal that the designed diode strongly supports surface plasmons coupled across counterintuitive metal–dielectric pixel arrays. Thereby, it yields the transmission of first-order diffracted light with a high amplitude. In contrast, backward transmission has decoupled surface plasmons that redirect Poynting vectors back to the incident medium, resulting in near attenuation of its transmission. In addition, we experimentally verify the optical isolation function of the optical diode.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Finite element simulation of microphotonic lasing system

We present a method for performing time domain simulations of a microphotonic system containing a four level gain medium based on the finite element method. This method includes an approximation that involves expanding the pump and probe electromagnetic fields around their respective carrier frequencies, providing a dramatic speedup of the time evolution. Finally, we present a two dimensional example of this model, simulating a cylindrical spaser array consisting of a four level gain medium inside of a metal shell.

36 MATERIALS SCIENCE↗