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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Particle-based modelling of axisymmetric tandem mirror devices

In this work, we describe the use of a 1D-2V quasi-neutral hybrid electrostatic PIC with Monte-Carlo Coulomb collisions and non-uniform magnetic field to model the parallel transport and confinement in an axisymmetric tandem mirror device. End-plugs, based on simple-mirrors, are positioned at each end of the device and fueled with neutral beams (25 and 100 keV) to produce a sloshing ion population and increase the density of the end-plugs relative to the central cell. Results show the formation of a potential difference barrier between the central cell and the end-plugs. This potential confines a large fraction of the low energy thermal ions in the central cell which would otherwise be lost in a simple mirror, demonstrating the advantage of the beam-driven tandem mirror configuration relative to simple mirrors. In addition, we explore the effect of end-plug electron temperature on the confinement time of the device and compare it with theoretical estimates. Finally, we discuss the limitations of the code in its present form and describe the next logical steps to improve its predictive capability such as a fully nonlinear Fokker–Planck collision operator, multiply nested flux surface solutions and modeling the exhaust region up to the wall.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1996

Computational Methods for Frictional Contact With Applications to the Space Shuttle Orbiter Nose-Gear Tire

A computational procedure is presented for the solution of frictional contact problems for aircraft tires. A Space Shuttle nose-gear tire is modeled using a two-dimensional laminated anisotropic shell theory which includes the effects of variations in material and geometric parameters, transverse-shear deformation, and geometric nonlinearities. Contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of the stress resultants, the generalized displacements, and the Lagrange multipliers associated with both contact and friction conditions. The contact-friction algorithm is based on a modified Coulomb friction law. A modified two-field, mixed-variational principle is used to obtain elemental arrays. This modification consists of augmenting the functional of that principle by two terms: the Lagrange multiplier vector associated with normal and tangential node contact-load intensities and a regularization term that is quadratic in the Lagrange multiplier vector. These capabilities and computational features are incorporated into an in-house computer code. Experimental measurements were taken to define the response of the Space Shuttle nose-gear tire to inflation-pressure loads and to inflation-pressure loads combined with normal static loads against a rigid flat plate. These experimental results describe the meridional growth of the tire cross section caused by inflation loading, the static load-deflection characteristics of the tire, the geometry of the tire footprint under static loading conditions, and the normal and tangential load-intensity distributions in the tire footprint for the various static vertical loading conditions. Numerical results were obtained for the Space Shuttle nose-gear tire subjected to inflation pressure loads and combined inflation pressure and contact loads against a rigid flat plate. The experimental measurements and the numerical results are compared.

Tanner, John A.↗
NASA NTRS1996

Computational methods for frictional contact with applications to the Space Shuttle orbiter nose-gear tire: Comparisons of experimental measurements and analytical predictions

A computational procedure is presented for the solution of frictional contact problems for aircraft tires. A Space Shuttle nose-gear tire is modeled using a two-dimensional laminated anisotropic shell theory which includes the effects of variations in material and geometric parameters, transverse-shear deformation, and geometric nonlinearities. Contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of the stress resultants, the generalized displacements, and the Lagrange multipliers associated with both contact and friction conditions. The contact-friction algorithm is based on a modified Coulomb friction law. A modified two-field, mixed-variational principle is used to obtain elemental arrays. This modification consists of augmenting the functional of that principle by two terms: the Lagrange multiplier vector associated with normal and tangential node contact-load intensities and a regularization term that is quadratic in the Lagrange multiplier vector. These capabilities and computational features are incorporated into an in-house computer code. Experimental measurements were taken to define the response of the Space Shuttle nose-gear tire to inflation-pressure loads and to inflation-pressure loads combined with normal static loads against a rigid flat plate. These experimental results describe the meridional growth of the tire cross section caused by inflation loading, the static load-deflection characteristics of the tire, the geometry of the tire footprint under static loading conditions, and the normal and tangential load-intensity distributions in the tire footprint for the various static vertical-loading conditions. Numerical results were obtained for the Space Shuttle nose-gear tire subjected to inflation pressure loads and combined inflation pressure and contact loads against a rigid flat plate. The experimental measurements and the numerical results are compared.

Tanner, John A.↗
DOE OSTI2021

Strong-field ionization of water: Nuclear dynamics revealed by varying the pulse duration

Polyatomic molecules in strong laser fields can undergo substantial nuclear motion within tens of femtoseconds. Ion imaging methods based on dissociation or Coulomb explosion therefore have difficulty faithfully recording the geometry dependence of the field ionization that initiates the dissociation process. Here we compare the strong-field double ionization and subsequent dissociation of water (both H 2 O and D 2 O) in 10-fs and 40-fs 800-nm laser pulses. We find that 10-fs pulses turn off before substantial internuclear motion occurs, whereas rapid internuclear motion can take place during the double ionization process for 40-fs pulses. The short-pulse measurements are consistent with a simple tunnel ionization picture whose predictions help interpret the motion observed in the long-pulse measurements.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1979

Implications of cyclotron features in the X-ray spectrum of Her X-1

The X-ray spectra from binary pulsars is investigated through the modification of physical processes due to an intense magnetic field. An effective scattering cross section for line photons and the Coulomb cross section for electron-ion collisions, treating the electrons relativistically, are calculated. The quantization of electron orbits in strong fields are discussed. The absorption cross sections and emission rates for cyclotron photons are calculated. An application of the results to the data from Hercules X-1 is examined.

Bussard, R.↗
DOE OSTI2022

Strong-field ionization of plasmonic nanoparticles

We modeled strong-field ionization of metal nanoparticles by intense infrared laser pulses, accounting for and distinguishing in photoelectron (PE) momentum distributions the effects of PE correlation, PE–residual-charge interactions, PE rescattering and recombination, and transient laser-induced plasmonic fields. Our numerical results for 5-, 30-, and 70-nm-diameter gold nanospheres and peak laser-pulse intensities of 8.0×10 12 and 1.2×10 13 W/cm 2 show how PE velocity-map images are distinctly shaped by PE Coulomb repulsion, residual-charge accumulations, and plasmonic near fields. In contrast to gaseous atomic targets and dielectric nanoparticles, we find very large PE cutoff energies, for both directly emitted and rescattered PEs, that exceed the incident laser-pulse ponderomotive energy by two orders of magnitude.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2005

Glacial isostatic stress shadowing by the Antarctic ice sheet

Numerous examples of fault slip that offset late Quaternary glacial deposits and bedrock polish support the idea that the glacial loading cycle causes earthquakes in the upper crust. A semianalytical scheme is presented for quantifying glacial and postglacial lithospheric fault reactivation using contemporary rock fracture prediction methods. It extends previous studies by considering differential Mogi-von Mises stresses, in addition to those resulting from a Coulomb analysis. The approach utilizes gravitational viscoelastodynamic theory and explores the relationships between ice mass history and regional seismicity and faulting in a segment of East Antarctica containing the great Antarctic Plate (Balleny Island) earthquake of 25 March 1998 (Mw 8.1). Predictions of the failure stress fields within the seismogenic crust are generated for differing assumptions about background stress orientation, mantle viscosity, lithospheric thickness, and possible late Holocene deglaciation for the D91 Antarctic ice sheet history. Similar stress fracture fields are predicted by Mogi-von Mises and Coulomb theory, thus validating previous rebound Coulomb analysis. A thick lithosphere, of the order of 150-240 km, augments stress shadowing by a late melting (middle-late Holocene) coastal East Antarctic ice complex and could cause present-day earthquakes many hundreds of kilometers seaward of the former Last Glacial Maximum grounding line.

Coulomb stress↗
DOE OSTI2021

Charged multihadron systems in lattice QCD+QED

Systems with the quantum numbers of up to 12 charged and neutral pseudoscalar mesons, as well as one-, two-, and three-nucleon systems, are studied using dynamical lattice quantum chromodynamics and quantum electrodynamics (QCD+QED) calculations and effective field theory. QED effects on hadronic interactions are determined by comparing systems of charged and neutral hadrons after tuning the quark masses to remove strong isospin breaking effects. A nonrelativistic effective field theory, which perturbatively includes finite-volume Coulomb effects, is analyzed for systems of multiple charged hadrons and found to accurately reproduce the lattice QCD+QED results. QED effects on charged multihadron systems beyond Coulomb photon exchange are determined by comparing the two- and three-body interaction parameters extracted from the lattice QCD+QED results for charged and neutral multihadron systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Quantitative metrics for evaluating thermonuclear design codes and physics models applied to the National Ignition Campaign

In this study, physics models and design codes for hot dense plasmas undergoing thermonuclear burn are evaluated objectively using statistical metrics that compare the difference between calculations and data relative to the experimental uncertainties. The analysis is applied to the National Ignition Campaign (NIC) because it is relevant, comprehensive, and well documented. The statistics confirm that a key process afflicting NIC performance is mix driven by hydrodynamic instabilities as approximated here using the KL model [G. Dimonte and R. Tipton, Phys. Fluids 18, 085101 (2006)]. New physics models are also presented for instability-driven magnetic fields [B. Srinivasan et al., Phys. Rev. Lett. 108, 165002 (2012)] and the Coulomb logarithm for electron–ion thermal relaxation [G. Dimonte and J. Daligault, Phys. Rev. Lett. 101, 135001 (2008)]. The plasma-generated magnetic fields improve the agreement between code and data in a statistically significant manner by reducing the electron thermal conduction in the hot-spot via the Hall term. The Coulomb logarithm is presented in a numerically practical form that incorporates recent theoretical advances. However, it does not improve the agreement between the code and data because the thermal relaxation is so fast in non-ignited NIC plasmas that the typical 20% error does not change the tight coupling between electrons and ions. Even with these improved physics models, the one-dimensional simulations presented here are not able to describe the high-convergence NIC implosions in a statistically acceptable manner. Of the heroic multi-dimensional simulations of Clark et al. [Phys. Plasmas 23, 056302 (2016)], only those in three-dimensions satisfy the statistical acceptance criterion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1988

Observation of the Meissner effect in a lattice Higgs model

The lattice-regularized U(1) Higgs model in an external electromagnetic field is studied by Monte Carlo techniques. In the Coulomb phase, magnetic flux can flow through uniformly. The Higgs phase splits into a region where magnetic flux can penetrate only in the form of vortices and a region where the magnetic flux is completely expelled, the relativistic analog of the Meissner effect in superconductivity. Evidence is presented for symmetry restoration in strong external fields.

Damgaard, Poul H.↗
DOE OSTI2025

Simultaneous imaging of vibrational, rotational, and electronic wave-packet dynamics in a triatomic molecule

Light-induced molecular dynamics often involve the excitation of several electronic, vibrational, and rotational states. Since the ensuing electronic and nuclear motion determines the pathways and outcomes of photoinduced reactions, our ability to monitor and understand these dynamics is crucial for molecular physics, physical chemistry, and photobiology. However, characterizing this complex motion represents a significant challenge when different degrees of freedom are strongly coupled. In this Letter, we demonstrate how the interplay between vibrational, rotational, and electronic degrees of freedom governs the evolution of molecular wave packets in the low-lying states of strong-field-ionized sulfur dioxide. Using time-resolved Coulomb explosion imaging (CEI) and quantum mechanical wave packet simulations, we directly map the bending vibrations of the molecule, show how the vibrational wave packet is influenced by molecular alignment, and elucidate the consequences of nuclear motion for the coupling between the two lowest electronic states of the cation. Furthermore, our results demonstrate that multicoincident CEI can be an efficient experimental tool for characterizing coupled electronic and nuclear motion in polyatomic molecules.

Atomic & molecular processes in external fields↗
NASA NTRS2003

Interaction Between Flames and Electric Fields Studied

The interaction between flames and electric fields has long been an interesting research subject that has theoretical importance as well as practical significance. Many of the reactions in a flame follow an ionic pathway: that is, positive and negative ions are formed during the intermediate steps of the reaction. When an external electric field is applied, the ions move according to the electric force (the Coulomb force) exerted on them. The motion of the ions modifies the chemistry because the reacting species are altered, it changes the velocity field of the flame, and it alters the electric field distribution. As a result, the flame will change its shape and location to meet all thermal, chemical, and electrical constraints. In normal gravity, the strong buoyant effect often makes the flame multidimensional and, thus, hinders the detailed study of the problem.

Yuan, Zeng-Guang↗
DOE OSTI2023

Quantifying the Relevance of Long-Range Forces for Crystal Nucleation in Water

Understanding nucleation from aqueous solutions is of fundamental importance in a multitude of fields, ranging from materials science to biophysics. The complex solvent-mediated interactions in aqueous solutions hamper the development of a simple physical picture, elucidating the roles of different interactions in nucleation processes. In this study, we make use of three complementary techniques to disentangle the role played by short- and long-range interactions in solvent-mediated nucleation. Specifically, the first approach we utilize is the local molecular field (LMF) theory to renormalize long-range Coulomb electrostatics. Second, we use well-tempered metadynamics to speed up rare events governed by short-range interactions. Third, the deep learning-based State Predictive Information Bottleneck approach is employed in analyzing the reaction coordinate of the nucleation processes obtained from the LMF treatment coupled with well-tempered metadynamics. We find that the two-step nucleation mechanism can largely be captured by the short-range interactions, while the long-range interactions further contribute to the stability of the primary crystal state under ambient conditions. Furthermore, by analyzing the reaction coordinate obtained from the combined LMF-metadynamics treatment, we discern the fluctuations on different time scales, highlighting the need for long-range interactions when accounting for metastability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Downfolding from ab initio to interacting model Hamiltonians: comprehensive analysis and benchmarking of the DFT+cRPA approach

Abstract Model Hamiltonians are regularly derived from first principles to describe correlated matter. However, the standard methods for this contain a number of largely unexplored approximations. For a strongly correlated impurity model system, here we carefully compare a standard downfolding technique with the best possible ground-truth estimates for charge-neutral excited-state energies and wave functions using state-of-the-art first-principles many-body wave function approaches. To this end, we use the vanadocene molecule and analyze all downfolding aspects, including the Hamiltonian form, target basis, double-counting correction, and Coulomb interaction screening models. We find that the choice of target-space basis functions emerges as a key factor for the quality of the downfolded results, while orbital-dependent double-counting corrections diminish the quality. Background screening of the Coulomb interaction matrix elements primarily affects crystal-field excitations. Our benchmark uncovers the relative importance of each downfolding step and offers insights into the potential accuracy of minimal downfolded model Hamiltonians.

Chemistry↗
DOE OSTI2025

Energy-momentum-conserving stochastic differential equations and algorithms for the nonlinear Landau-Fokker-Planck equation

Coulomb collision is a fundamental diffusion process in plasmas that can be described by the Landau-Fokker-Planck (LFP) equation or the stochastic differential equation (SDE). While energy and momentum are conserved exactly in the LFP equation, they are conserved only on average by the conventional corresponding SDEs, suggesting that the underlying stochastic process may not be well defined by such SDEs. Here, in this study, we derive new SDEs with exact energy-momentum conservation for the Coulomb collision by factorizing the collective effect of field particles into individual particles and enforcing Newton's third law. These SDEs, when interpreted in the Stratonovich sense, have a particularly simple form that represents pure diffusion between particles without drag. To demonstrate that the new SDEs correspond to the LFP equation, we develop numerical algorithms that converge to the SDEs and preserve discrete conservation laws. Simulation results are presented in a benchmark of various relaxation processes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Origin of Insulating Ferromagnetism in Iron Oxychalcogenide Ce 2 O 2 FeSe 2

An insulating ferromagnetic (FM) phase exists in the quasi-one-dimensional iron oxychalcogenide Ce 2 O 2 FeSe 2 , but its origin is unknown. To understand the FM mechanism, here a systematic investigation of this material is provided, analyzing the competition between ferromagnetic and antiferromagnetic tendencies and the interplay of hoppings, Coulomb interactions, Hund’s coupling, and crystal-field splittings. Overall, our intuitive analysis based on second-order perturbation theory shows that large entanglements between doubly occupied and half filled orbitals play a key role in stabilizing the FM order in Ce 2 O 2 FeSe 2 . In addition, via many-body computational techniques applied to a multiorbital Hubbard model, the phase diagram confirms the proposed FM mechanism.

1-dimensional spin chains↗
NASA NTRS2011

Pickup Ion Distributions from Three Dimensional Neutral Exospheres

Pickup ions formed from ionized neutral exospheres in flowing plasmas have phase space distributions that reflect their source's spatial distributions. Phase space distributions of the ions are derived from the Vlasov equation with a delta function source using three.dimensional neutral exospheres. The ExB drift produced by plasma motion picks up the ions while the effects of magnetic field draping, mass loading, wave particle scattering, and Coulomb collisions near a planetary body are ignored. Previously, one.dimensional exospheres were treated, resulting in closed form pickup ion distributions that explicitly depend on the ratio rg/H, where rg is the ion gyroradius and H is the neutral scale height at the exobase. In general, the pickup ion distributions, based on three.dimensional neutral exospheres, cannot be written in closed form, but can be computed numerically. They continue to reflect their source's spatial distributions in an implicit way. These ion distributions and their moments are applied to several bodies, including He(+) and Na(+) at the Moon, H(+2) and CH(+4) at Titan, and H+ at Venus. The best places to use these distributions are upstream of the Moon's surface, the ionopause of Titan, and the bow shock of Venus.

Hartle, R. E.↗
DOE OSTI2024

A high-resolution pseudo-polygon discrete element model for regional sea ice

Here, this work presents a pseudo-polygon discrete element model for high-resolution sea ice simulations. A scale-invariant bonded particle contact model is proposed to model joints between sea ice floes based on the smeared fracture model and a lattice spring beam model, and the Mohr–Coulomb failure criterion is implemented to represent the shearing failure mechanism of sea ice packings under complex loadings. All mechanical parameters of the bond model can be directly determined from laboratory tests. Validations of the proposed model are made by investigations of mechanical response and failure criteria of field sea ice sheets. Compared with the field observations of sea ice from satellite radar and in situ stress sensors, the proposed model is capable of reproducing the typical constitutive behavior and the Coulomb friction envelope of field sea ice. Finally, the proposed discrete element sea ice model is used to study the effect of loading rates on mechanical behavior including failure strength of regional sea ice.

54 ENVIRONMENTAL SCIENCES↗