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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 415 records · Page 23

Resistive diffusion of force-free magnetic fields in a passive medium.

We consider the resistive diffusion of a force-free magnetic field in a tenuous compressible medium, which is free to move to accommodate the changing magnetic-field configuration. This process is nonlinear, contrary to the usual magnetic field diffusion in a fixed medium. We show that the force-free magnetic field may evolve slowly for an extended period of time, whereupon it abruptly develops steep gradients and passes into an explosive phase. We suggest that it is this process that sets the stage for the onset of solar flares.

Low, B. C.↗

Numerical calculation of the particle–fluid–particle stress in random arrays of fixed particles

Based on the nearest particle statistics [Zhang, J. Fluid Mech. 910, A16 (2021)], the phase interaction force in a multiphase flow is decomposed into a particle–mean-field force and the divergence of the particle–fluid–particle (PFP) stress. The PFP stress is proportional to the correlation product of the distance from a particle to its nearest neighbor and the force on the particle conditionally averaged on the nearest-neighbor location. In this work, a functional form of the stress is obtained corrected to the first order of the ratio between the interparticle distance and the macroscopic length scale of the flow. Particle-resolved numerical simulations are used to calculate the PFP stress in random arrays of fixed particles and to explore the physics represented by the stress. The numerical results show that the PFP stress is attractive along the direction of the flow and is repulsive in the directions perpendicular to the flow. In the flow regime simulated, this PFP stress can be considered as a macroscopic representation of the drafting–kissing–tumbling mechanism. Finally, the Reynolds stress for the fluid phase is also calculated and compared with the PFP stress.

42 ENGINEERING↗

Integrals of motion for the classical two-body problem with drag

Integrals of motion for the two-body problem with drag are obtained by operating on the second-order vector differential equation describing the motion. The force field consists of an inverse-square gravitational attraction and a drag force proportional to the velocity vector and inversely proportional to the square of the distance to the attracting center. The developed integrals are the analogs of the Keplerian scalar energy, the vector angular momentum, and the Laplace vector.

Jezewski, D. J.↗

Asymptotic analysis of force-free magnetic fields of cylindrical symmetry

It is known from computer calculations that if a force-free magnetic-field configuration is stressed progressively by footpoint displacements, the configuration expands and approaches the open configuration with the same surface flux distribution, and, in the process, the energy of the field increases progressively. Analysis of a simple model of force-free fields of cylindrical symmetry leads to simple asymptotic expressions for the extent and energy of such a configuration. The analysis is carried through for both spherical and planar source surfaces. According to this model, the field evolves in a well-behaved manner with no indication of instability or loss of equilibrium.

Sturrock, P. A.↗

Boundary value problem for the solution of magnetic cutoff rigidities and some special applications

Since a planet's magnetic field can sometimes provide a spacecraft with some protection against cosmic ray and solar flare particles, it is important to be able to quantify this protection. This is done by calculating cutoff rigidities. An alternate to the conventional method (particle trajectory tracing) is introduced, which is to treat the problem as a boundary value problem. In this approach trajectory tracing is only needed to supply boundary conditions. In some special cases, trajectory tracing is not needed at all because the problem can be solved analytically. A differential equation governing cutoff rigidities is derived for static magnetic fields. The presense of solid objects, which can block a trajectory and other force fields are not included. A few qualititative comments, on existence and uniqueness of solutions, are made which may be useful when deciding how the boundary conditions should be set up. Also included are topics on axially symmetric fields.

Edmonds, Larry↗

Nonlinear Bubble Interactions in Acoustic Pressure Fields

The systems consisting of a two-phase mixture, as clouds of bubbles or drops, have shown many common features in their responses to different external force fields. One of particular interest is the effect of an unsteady pressure field applied to these systems, case in which the coupling of the vibrations induced in two neighboring components (two drops or two bubbles) may result in an interaction force between them. This behavior was explained by Bjerknes by postulating that every body that is moving in an accelerating fluid is subjected to a 'kinetic buoyancy' equal with the product of the acceleration of the fluid multiplied by the mass of the fluid displaced by the body. The external sound wave applied to a system of drops/bubbles triggers secondary sound waves from each component of the system. These secondary pressure fields integrated over the surface of the neighboring drop/bubble may result in a force additional to the effect of the primary sound wave on each component of the system. In certain conditions, the magnitude of these secondary forces may result in significant changes in the dynamics of each component, thus in the behavior of the entire system. In a system containing bubbles, the sound wave radiated by one bubble at the location of a neighboring one is dominated by the volume oscillation mode and its effects can be important for a large range of frequencies. The interaction forces in a system consisting of drops are much smaller than those consisting of bubbles. Therefore, as a first step towards the understanding of the drop-drop interaction subject to external pressure fluctuations, it is more convenient to study the bubble interactions. This paper presents experimental results and theoretical predictions concerning the interaction and the motion of two levitated air bubbles in water in the presence of an acoustic field at high frequencies (22-23 KHz).

Barbat, Tiberiu↗

Transport properties of droplet clusters in gravity-free fields

Clusters of liquid droplets are suspended in an atmosphere of saturated vapor and are subjected to an external force field. This system can be modeled as a continuum whose macroscopic properties may be determined by applying the generalized theory of Taylor dispersion.

Brenner, Howard↗

Force-free magnetic fields - The magneto-frictional method

The problem under discussion is that of calculating magnetic field configurations in which the Lorentz force j x B is everywhere zero, subject to specified boundary conditions. We choose to represent the magnetic field in terms of Clebsch variables in the form B = grad alpha x grad beta. These variables are constant on any field line so that each field line is labeled by the corresponding values of alpha and beta. When the field is described in this way, the most appropriate choice of boundary conditions is to specify the values of alpha and beta on the bounding surface. We show that such field configurations may be calculated by a magneto-frictional method. We imagine that the field lines move through a stationary medium, and that each element of magnetic field is subject to a frictional force parallel to and opposing the velocity of the field line. This concept leads to an iteration procedure for modifying the variables alpha and beta, that tends asymptotically towards the force-free state. We apply the method first to a simple problem in two rectangular dimensions, and then to a problem of cylindrical symmetry that was previously discussed by Barnes and Sturrock (1972). In one important respect, our new results differ from the earlier results of Barnes and Sturrock, and we conclude that the earlier article was in error.

Yang, W. H.↗

Asymptotic forms for the energy of force-free magnetic field ion figurations of translational symmetry

It is known from computer calculations that if a force-free magnetic field configuration is stressed progressively by footpoint displacements, the configuration expands and approaches the open configuration with the same surface flux distribution and the energy of the field increases progressively. For configurations of translationalsymmetry, it has been found empirically that the energy tends asymptotically to a certain functional form. It is here shown that analysis of a simple model of the asymptotic form of force-free fields of translational symmetry leads to and therefore justifies this functional form. According to this model, the field evolves in a well-behaved manner with no indication of instability or loss of equilibrium.

Sturrock, P. A.↗

Multi-ion Conduction in Li 3 OCl Glass Electrolytes

Antiperovskite glasses such as Li 3 OCl and doped analogues have been introduced as excellent electrolytes for all-solid-state Li ion batteries (ASSB). Incorporating these electrolytes in ASSBs results in puzzling properties. This Letter describes a theoretical Li 3 OCl glass created by conventional melt–quench procedures. The ion conductivities are calculated using molecular dynamics based on a polarizable force field that is fitted to an extensive set of density functional theory-based energies, forces, and stresses for a wide range of nonequilibrium structures encompassing crystal, glass, and melt. We find high Li + ion conductivity in good agreement with experiments. However, we also find that the Cl – ion is mobile as well so that the Li 3 OCl glass is not a single-ion conductor, with a transference number t + ≈ 0.84. This has vital implications for its use as an electrolyte for all-solid-state batteries because the Cl could react irreversibly with the electrodes and/or produce glass decomposition during discharge–charge.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of G-jitters on the stability of rotating bubble under microgravity environment

The instability of liquid and gas interface can be induced by the pressure of longitudinal and lateral accelerations, vehicle vibration, and rotational fields of spacecraft in a microgravity environment. Characteristics of slosh waves excited by the restoring force field of gravity jitters have been investigated. Results show that lower frequency gravity jitters excite slosh waves with higher ratio of maximum amplitude to wave length than that of the slosh waves generated by the higher frequency gravity jitters.

Hung, R. J.↗

Gravity-jitters and excitation of slosh waves

The instability of liquid and gas interface can be induced by the pressure of longitudinal and lateral accelerations, vehicle vibration, and rotational fields of spacecraft in a microgravity environment. Characteristics of slosh waves excited by the restoring force field of gravity jitters have been investigated. Results show that lower frequency gravity jitters excite slosh waves with higher ratio of maximum amplitude to wave length than that of the slosh waves generated by the higher frequency gravity jitters.

Hung, R. J.↗

Slosh wave excitation and stability of spacecraft fluid systems

The instability of liquid and gas interface can be induced by the pressure of longitudinal and lateral accelerations, vehicle vibration, and rotational fields of spacecraft in a microgravity environment. Characteristics of slosh waves excited by the restoring force field of gravity jitters have been investigated. Results show that lower frequency gravity jitters excite slosh waves with higher ratio of maximum amplitude to wave length than that of the slosh waves generated by the higher frequency gravity jitters.

Hung, R. J.↗

Gravity jitter effected slosh waves and the stability of a rotating bubble under microgravity

The instability of liquid and gas interface can be induced by the pressure of longitudinal and lateral accelerations, vehicle vibration, and rotational fields of spacecraft in a microgravity environment. Characteristics of slosh waves excited by the restoring force field of gravity jitters have been investigated. Results show that lower frequency gravity jitters excite slosh wave with higher ratio of maximum amplitude to wave length than that of the slosh waves generated by the higher frequency gravity jitters.

Hung, R. J.↗

Simulating noncontact atomic force microscopy images

A scanning probe with an atomically sharp tip is used in atomic force microscopy. As the probe is rastered over the specimen of interest, changes in its vibration mode can be ascribed to changes in the interatomic forces between the specimen and the tip. Various modes for implementing atomic force measures exist. One of the most successful modes is frequency-modulation noncontact atomic force microscopy. Here we address the role of replicating accurate forces on the probe tip to simulate images within this mode. In this work, we examine several approaches. One involves the use of classical force fields based on interatomic potentials, where the potentials are often fit to experiment. Other approaches center on the use of forces generated from quantum-based calculations. We consider the development of a “virtual tip” approximation wherein the probe tip senses electrostatic forces generated by the specimen. This approach treats the specimen quantum mechanically, while the tip is treated as a classical object. We also consider the use of an embedding approximation to avoid direct computations of the specimen in the presence of the tip. In this method, the tip and specimen are treated quantum mechanically. However, the electronic structure of the specimen is computed in the absence of the probe tip. The electronic density of the specimen is then fixed and the electronic structure of the tip is then computed in the presence of the fixed density. As a general approach, we outline new methods for the full computation of quantum forces between the tip and specimen. We note that quantum-based forces are particularly important as they directly contain the chemical nature of the forces present without the use of any adjustable parameters. We illustrate recent algorithmic developments to computing quantum forces that can produce accurate simulations of atomic force microscopy images for large and complex molecular species. We also suggest new pathways to overcome current challenges in this rapidly evolving field.

36 MATERIALS SCIENCE↗

Modeling prebiotic chemistries with quantum accuracy at classical costs

Molecular Dynamics (MD) simulations using classical force-fields are commonly employed in numerous scientific investigations. However, many natural processes involve bond breaking and quantum forces. This complexity is compounded by the presence of multiple competing length and timescales. For example, accurately modeling the thermodynamics and dynamics of a chemical reaction requires accounting for the concerted movements of numerous solvent molecules and ions with their own fast or slow timescales. While widely used static Density Functional Theory (DFT) calculations at 0 temperature can be beneficial for such investigations, they do not account for dynamics, and lack precision in describing the molecular environments. They particularly fail at correct, rigorous treatments of finite-temperature fluctuations, and thus generalization to experimentally relevant conditions. In PNAS Benayad et al develop a scalable, generalizable approach for designing Neural Network Potentials (NNPs) that can handle chemical reactivity in solvated systems with quantum accuracy at classical costs. Specifically, they study phosphoester bond formation and rupture, which is fundamentally relevant to the Phosphorus-Oxygen bond formation central to life, and especially for the RNA world hypothesis. The framework developed here has the potential to generalize to different chemical reactions of energy and biological relevance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗