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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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533 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Stability of exact solutions of the (2 + 1)-dimensional nonlinear Schrödinger equation with arbitrary nonlinearity parameter κ

In this work, we consider the nonlinear Schrödinger equation (NLSE) in 2+1 dimensions with arbitrary nonlinearity exponent κ in the presence of an external confining potential. Exact solutions to the system are constructed, and their stability as we increase the 'mass' (i.e., the L 2 norm) and the nonlinearity parameter κ is explored. Here we observe both theoretically and numerically that the presence of the confining potential leads to wider domains of stability over the parameter space compared to the unconfined case. Our analysis suggests the existence of a stable regime of solutions for all κ as long as their mass is less than a critical value M*(κ). Furthermore, we find that there are two different critical masses, one corresponding to width perturbations and the other one to translational perturbations. The results of Derrick's theorem are also obtained by studying the small amplitude regime of a four-parameter collective coordinate (4CC) approximation. A numerical stability analysis of the NLSE shows that the instability curve M*(κ) versus κ lies below the two curves found by Derrick's theorem and the 4CC approximation. In the absence of the external potential, κ = 1 demarcates the separation between the blowup regime and the stable regime. In this 4CC approximation, for κ < 1, when the mass is above the critical mass for the translational instability, quite complicated motions of the collective coordinates are possible. Energy conservation prevents the blowup of the solution as well as confines the center of the solution to a finite spatial domain. We call this regime the 'frustrated' blowup regime and give some illustrations. In an appendix, we show how to extend these results to arbitrary initial ground state solution data and arbitrary spatial dimension d.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Microscopic activated dynamics theory of the shear rheology and stress overshoot in ultradense glass-forming fluids and colloidal suspensions

We formulate a particle and force level, activated dynamics-based statistical mechanical theory for the continuous startup nonlinear shear rheology of ultradense glass-forming hard sphere fluids and colloidal suspensions in the context of the elastically collective nonlinear Langevin equation approach and a generalized Maxwell model constitutive equation. Activated structural relaxation is described as a coupled local-nonlocal event involving caging and longer range collective elasticity which controls the characteristic stress relaxation time. Theoretical predictions for the deformation-induced enhancement of mobility, the onset of relaxation acceleration at remarkably low values of stress, strain, or shear rate, apparent power law thinning of the steady-state structural relaxation time and viscosity, a nonvanishing activation barrier in the shear thinning regime, an apparent Herschel–Buckley form of the shear rate dependence of the steady-state shear stress, exponential growth of different measures of a yield or flow stress with packing fraction, and reduced fragility and dynamic heterogeneity under deformation were previously shown to be in good agreement with experiments. The central new question we address here is the defining feature of the transient response—the stress overshoot. In contrast to the steady-state flow regime, understanding the transient response requires an explicit treatment of the coupled nonequilibrium evolution of structure, elastic modulus, and stress relaxation time. We formulate a new quantitative model for this aspect in a physically motivated and computationally tractable manner. Theoretical predictions for the stress overshoot are shown to be in good agreement with experimental observations in the metastable ultradense regime of hard sphere colloidal suspensions as a function of shear rate and packing fraction, and accounting for deformation-assisted activated motion appears to be crucial for both the transient and steady-state responses.

Mechanics↗
DOE OSTI2020

Perpendicular magnetofluid theory for magnetically confined plasmas in the collisionless limit

Note that the magnetically confined plasmas in thermonuclear fusion turn to be collisionless. Some particles are trapped by the inhomogeneous equilibrium field or by the waves, while some others keep circulating. One cannot expect the charged particles to be collectively localized in space by collisions along the magnetic field lines. Consequently, the fluid parameters relating to the parallel motion, such as parallel fluid velocity, become inadequate. In this paper, the perpendic- ular magnetofluid theory for magnetically confined plasmas in the collisionless limit is developed. It revises Braginskii’s transport theory by releasing the collisional dominance assumption. In the perpendicular direction, the particle spatial localization is solo resulted from the strong magnetic field, while the finite Larmor radius (FLR) effects are taken into account in the next order. In the parallel direction, the particle mobility feature is fully retained by constructing only the per- pendicular moments. Therefore, besides the FLR effects till order O($k$ $^{2}_{⊥}$ $ρ$ $^{2}_{i}$ ), the Landau damping, the trapped particle effects, and other parallel kinetic effects are all kept in the current formalism. Here, k ⊥ is the perpendicular wave number and ρ i is the ion Larmor radius. Here, the theory can be used both for the analytical and numerical studies of magnetically confined plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
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↗
DOE OSTI2025

Harvesting Subsea Water Motion to Provide Clean Electrical Power

This TEAMER project had three main objectives related to characterizing the performance of a vortex-induced vibration (VIV) marine energy harvesting device called the Whatever Input To Torsion (WITT). The first was to characterize the motion of the WITT device as it vibrates on top of a pipe in a natural tidal flow. The second was to measure how much electricity the WITT device generates when it is deployed on top of a pipe that is secured to the seabed with a lander. The third objective was to measure how much electricity the WITT device generates in the same configuration but with a longer pipe. This TEAMER project succeeded in satisfying the first objective by measuring the motion of the WITT device with an inertial measurement unit (IMU) mounted in the WITT housing. The motion was described by examining changes in the acceleration, pitch, roll, and yaw, and displacement. The frequency of the motion was characterized using spectral analysis. The TEAMER project succeeded in reaching the second objective by measuring the power produced by the WITT. It is reported here as the average and maximum power in hourly intervals. WITT Energy decided to not have us pursue the third objective of testing a longer pipe because the first test was unexpectedly successful at having the system vibrate at the target frequency. A longer pipe would have resulted in a decreased frequency and therefore not have been a useful test. Based on these findings, the decision was made to keep the same pipe length for both tests and improve on other aspects of the test structure that had failed during the first test. The key finding of this TEAMER project is that the WITT is capable of generating electricity in moderate flow speeds when it is in a housing that is attached to a 2.5 m pipe and secured to the seabed by a lander. This report contains the first power values for a VIV instrument that generates electricity from a pendulum swinging at the top of a long pipe. The experiment demonstrated that the vibration frequency of the device varied with the tidal current speed, which changed throughout a given tidal cycle. This meant that the desired peak frequency was not sustained for more than one hour. The success of this TEAMER test provides evidence that continued research in the area of electricity generation from VIV holds promise as a source of marine energy for offshore applications. Future tests should focus on refining the pipe length equations and improving the power take off system of the WITT power electronics. In addition, experiments aimed at expanded testing and evaluation (e.g. longer than one month) are needed to measure the power production at higher tidal current speeds and test the system's durability.

Branch, Ruth A. (ORCID:0000000202356719)↗
DOE OSTI2021

A general solution for accelerating screw dislocations in arbitrary slip systems with reflection symmetry

Solutions to the differential equations of linear elasticity in the continuum limit in arbitrary crystal symmetry are known only for steady-state dislocations of arbitrary character, i.e. line defects moving at constant velocity. Troubled by singularities at certain ‘critical’ velocities (typically close to certain sound speeds), these dislocation fields are thought to be too idealized, and divergences are usually attributed to neglecting the finite size of the core and to the restriction to constant velocity. In the isotropic limit, accelerating pure screw and edge dislocations were studied some time ago. A generalization to anisotropic crystals has been attempted for pure screw and edge dislocations only for some special cases. This work aims to fill the gap of deriving a general anisotropic solution for pure screw dislocations applicable to slip systems featuring a reflection symmetry, a prerequisite to studying pure screw dislocations without mixing with edge dislocations. Finally, further generalizations to arbitrary mixed dislocations as well as regularizations of the dislocation core are beyond the scope of this paper and are left for future work.

42 ENGINEERING↗
DOE OSTI2025

High order interpolation of magnetic fields with vector potential reconstruction for particle simulations

We propose a method for interpolating divergence-free continuous magnetic fields via vector potential reconstruction using Hermite interpolation, which ensures high-order continuity for applications requiring adaptive, high-order ordinary differential equation (ODE) integrators, such as the Dormand-Prince method. The method provides C(m) continuity and achieves high-order accuracy, making it particularly suited for particle trajectory integration and Poincaré section analysis under optimal integration order and timestep adjustments. Through numerical experiments, we demonstrate that the Hermite interpolation method preserves volume and continuity, which are critical for conserving toroidal canonical momentum and magnetic moment in guiding center simulations, especially over long-term trajectory integration. Furthermore, we analyze the impact of insufficient derivative continuity on Runge-Kutta schemes and show how it degrades accuracy at low error tolerances, introducing discontinuity-induced truncation errors. Lastly, we demonstrate performant Poincaré section analysis in two relevant settings of field data collocated from finite element meshes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Experimental Study of the Fundamental Properties of Warm Dense Mixtures

The aim of the proposed research was to provide a multi-scale study of the properties of warm dense hydrocarbons, by studying the thermodynamic properties through the equation of state and the microscopic properties by x-ray scattering. Understanding the fundamental properties of warm dense mixtures is an intellectual challenge due to the complexity of the system. Unlike liquids or gases, where constituent particle interactions occur through collisions or bonding between valence electrons, in these strongly coupled systems the atoms will be partially ionized and compressed so tightly together that interactions between the inner core electrons can play a role in the systems chemistry. Advances in computational capabilities and development of new theoretical models have been used to predict the properties of mixtures but there is currently no experimental data of the fundamental interaction between the particles in mixtures to test these predictions against. The proposed research was to experimentally investigate the interaction of the different species in hydrocarbons by measuring the compressibility of substances with different carbon and hydrogen ratios and the complexity of the microscopic interactions through elastic and inelastic x-ray scattering. To study the bulk properties of warm dense hydrocarbons we established the Warm Dense Matter Research Laboratory (WDMRL) in the Institute for Shock Physics at Washington State University. The goal was for experiments in the WDMRL to determine shock loading conditions of interest in the hydrocarbon mixtures. We planned on using Hugoniot EOS measurements and a range of carbon and hydrogen concentrations to determine conditions when the EOS of the mixture varied significantly from that of the classical mixing model. Even though shock transit measurements through aluminum foils suggested pressures upto 400GPa, the experiments in the WDMRL were unsuccessful in getting usable shockwave compression data above 100GPa in polystyrene which was below the pressure of interest for hydrocarbon mixtures (>200GPa). To complete the project, we tested a technique using x-ray phase contrast imaging to map the location of tracer layers in a test sample of polycarbonate to record the material motion in dynamically compressed samples. A technique that will be useful for future warm dense matter experiments. These experiments used <200nm gold layers in polycarbonate samples to measure the material velocity and shock speed using x-ray phase contrast imaging. These results were compared to continuum surface measurements performed at ISP and show that the tracer layer technique can measure hydrodynamic properties accurately in dynamically compressed materials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

What Controls the Entrainment Rate of Dry Buoyant Thermals with Varying Initial Aspect Ratio?

Here, this study uses theory and numerical simulations to analyze the nondimensional spreading rate a (change in radius with height) of buoyant thermals as they rise and entrain surrounding environmental fluid. A focus is on how a varies with initial thermal aspect ratio A r , defined as height divided by width of the initial buoyancy perturbation. An analytic equation for thermal ascent rate w t that depends on a is derived from the thermal-volume-averaged momentum bud get equation. The thermal top height when w t is maximum, defining a critical height z c , is inversely proportional to a. The height z c also corresponds to the thermal top height when buoyant fluid along the thermal’s vertical axis is fully replaced by entrained nonbuoyant environmental fluid rising from below the thermal. The time scale for this process is controlled by the vertical velocity of parcels rising upward through the thermal’s core. This parcel vertical velocity is approximated from Hill’s analytic spherical vortex, yielding an analytic inverse relation between a and A r . Physically, this a–A r relation is connected to changes in circulation as A r is modified. Numerical simulations of thermals with A r varied from 0.5 to 2 give a values close to the analytic theoretical relation, with a factor of ~3 decrease in a as A r is increased from 0.5 to 2. The theory also explains why a of initially spherical thermals from past laboratory and modeling studies is about 0.15. Overall, this study provides a theoretical underpinning for understanding the entrainment behavior of thermals, relevant to buoyantly driven atmospheric flows.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Nonadiabatic dynamics with classical trajectories: The problem of an initial coherent superposition of electronic states

Advances in coherent light sources and development of pump–probe techniques in recent decades have opened the way to study electronic motion in its natural time scale. When an ultrashort laser pulse interacts with a molecular target, a coherent superposition of electronic states is created and the triggered electron dynamics is coupled to the nuclear motion. A natural and computationally efficient choice to simulate this correlated dynamics is a trajectory-based method where the quantum-mechanical electronic evolution is coupled to a classical-like nuclear dynamics. These methods must approximate the initial correlated electron–nuclear state by associating an initial electronic wavefunction to each classical trajectory in the ensemble. Different possibilities exist that reproduce the initial populations of the exact molecular wavefunction when represented in a basis. We show that different choices yield different dynamics and explore the effect of this choice in Ehrenfest, surface hopping, and exact-factorization-based coupled-trajectory schemes in a one-dimensional two-electronic-state model system that can be solved numerically exactly. Furthermore, this work aims to clarify the problems that standard trajectory-based techniques might have when a coherent superposition of electronic states is created to initialize the dynamics, to discuss what properties and observables are affected by different choices of electronic initial conditions and to point out the importance of quantum-momentum-induced electronic transitions in coupled-trajectory schemes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Computational Imaging for Intelligence in Highly Scattering Aerosols (Final Report)

Natural and man-made degraded visual environments pose major threats to national security. The random scattering and absorption of light by tiny particles suspended in the air reduces situational awareness and causes unacceptable down-time for critical systems and operations. To improve the situation, we have developed several approaches to interpret the information contained within scattered light to enhance sensing and imaging in scattering media. These approaches were tested at the Sandia National Laboratory Fog Chamber facility and with tabletop fog chambers. Computationally efficient light transport models were developed and leveraged for computational sensing. The models are based on a weak angular dependence approximation to the Boltzmann or radiative transfer equation that appears to be applicable in both the moderate and highly scattering regimes. After the new model was experimentally validated, statistical approaches for detection, localization, and imaging of objects hidden in fog were developed and demonstrated. A binary hypothesis test and the Neyman-Pearson lemma provided the highest theoretically possible probability of detection for a specified false alarm rate and signal-to-noise ratio. Maximum likelihood estimation allowed estimation of the fog optical properties as well as the position, size, and reflection coefficient of an object in fog. A computational dehazing approach was implemented to reduce the effects of scatter on images, making object features more readily discernible. We have developed, characterized, and deployed a new Tabletop Fog Chamber capable of repeatably generating multiple unique fog-analogues for optical testing in degraded visual environments. We characterized this chamber using both optical and microphysical techniques. In doing so we have explored the ability of droplet nucleation theory to describe the aerosols generated within the chamber, as well as Mie scattering theory to describe the attenuation of light by said aerosols, and correlated the aerosol microphysics to optical properties such as transmission and meteorological optical range (MOR). This chamber has proved highly valuable and has supported multiple efforts inclusive to and exclusive of this LDRD project to test optics in degraded visual environments. Circularly polarized light has been found to maintain its polarization state better than linearly polarized light when propagating through fog. This was demonstrated experimentally in both the visible and short-wave infrared (SWIR) by imaging targets made of different commercially available retroreflective films. It was found that active circularly polarized imaging can increase contrast and range compared to linearly polarized imaging. We have completed an initial investigation of the capability for machine learning methods to reduce the effects of light scattering when imaging through fog. Previously acquired experimental long-wave images were used to train an autoencoder denoising architecture. Overfitting was found to be a problem because of lack of variability in the object type in this data set. The lessons learned were used to collect a well labeled dataset with much more variability using the Tabletop Fog Chamber that will be available for future studies. We have developed several new sensing methods using speckle intensity correlations. First, the ability to image moving objects in fog was shown, establishing that our unique speckle imaging method can be implemented in dynamic scattering media. Second, the speckle decorrelation over time was found to be sensitive to fog composition, implying extensions to fog characterization. Third, the ability to distinguish macroscopically identical objects on a far-subwavelength scale was demonstrated, suggesting numerous applications ranging from nanoscale defect detection to security. Fourth, we have shown the capability to simultaneously image and localize hidden objects, allowing the speckle imaging method to be effective without prior object positional information. Finally, an interferometric effect was presented that illustrates a new approach for analyzing speckle intensity correlations that may lead to more effective ways to localize and image moving objects. All of these results represent significant developments that challenge the limits of the application of speckle imaging and open important application spaces. A theory was developed and simulations were performed to assess the potential transverse resolution benefit of relative motion in structured illumination for radar systems. Results for a simplified radar system model indicate that significant resolution benefits are possible using data from scanning a structured beam over the target, with the use of appropriate signal processing.

58 GEOSCIENCES↗