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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 145 records · Page 8

Recent progress in the phase-field dislocation dynamics method

The phase-field dislocation dynamics (PFDD) method, originated in 2002, is a continuum dislocation model that uses order parameters to describe dislocation slips in crystalline materials. In the past two decades, and especially since it was last reviewed in 2016, PFDD was advanced significantly in terms of the mathematical formulation, numerical implementation, and applicability. The main purpose of this short review is to summarize recent progress made to improve the energy functional formulation and numerical techniques of PFDD as well as its recent applications. Additionally, some recommendations for future work to further extend the PFDD method are presented.

36 MATERIALS SCIENCE↗

Ultrafast radiographic imaging and tracking: An overview of instruments, methods, data, and applications

Ultrafast radiographic imaging and tracking (U-RadIT) use state-of-the-art ionizing particle and light sources to experimentally study sub-nanosecond transients or dynamic processes in physics, chemistry, biology, geology, materials science and other fields. These processes are fundamental to modern technologies and applications, such as nuclear fusion energy, advanced manufacturing, communication, and green transportation, which often involve one mole or more atoms and elementary particles, and thus are challenging to compute by using the first principles of quantum physics or other forward models. One of the central problems in U-RadIT is to optimize information yield through, e.g. high-luminosity X-ray and particle sources, efficient imaging and tracking detectors, novel methods to collect data, and large-bandwidth online and offline data processing, regulated by the underlying physics, statistics, and computing power. We review and highlight recent progress in: (a.) Detectors such as high-speed complementary metal-oxide semiconductor (CMOS) cameras, hybrid pixelated array detectors integrated with Timepix4 and other application-specific integrated circuits (ASICs), and digital photon detectors; (b.) U-RadIT modalities such as dynamic phase contrast imaging, dynamic diffractive imaging, and four-dimensional (4D) particle tracking; (c.) U-RadIT data and algorithms such as neural networks and machine learning, and (d.) Applications in ultrafast dynamic material science using XFELs, synchrotrons and laser-driven sources. Hardware-centric approaches to U-RadIT optimization are constrained by detector material properties, low signal-to-noise ratio, high cost and long development cycles of critical hardware components such as ASICs. Interpretation of experimental data, including comparisons with forward models, is frequently hindered by sparse measurements, model and measurement uncertainties, and noise. Alternatively, U-RadIT make increasing use of data science and machine learning algorithms, including experimental implementations of compressed sensing. Machine learning and artificial intelligence approaches, refined by physics and materials information, may also contribute significantly to data interpretation, uncertainty quantification and U-RadIT optimization.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Topological resonance and single-optical-cycle valley polarization in gapped graphene

For gapped graphene, we predict that an intense ultrashort (single-oscillation) circularly polarized optical pulse can induce a large population of the conduction band and a large valley polarization. With an increase in the band gap, the magnitude of the valley polarization gradually increases from zero (for the native gapless graphene) to a value on the order of unity. The energy bandwidth of the electrons excited into the conduction band can be very large (≳10 eV for a reasonable pulse amplitude of ~0.5 V/Å). These phenomena are due to the effect of topological resonance: The matching of the topological (geometric) phase and the dynamic phase. Gapped graphene with a tunable band gap can be used as a convenient generic model of two-dimensional semiconductors with honeycomb generic lattice structures and broken inversion symmetry, such as transition-metal dichalcogenides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dynamics of binary phase separation in liquid He-3-He-4 mixtures

Binary phase-separation dynamics in liquid mixtures of He-3 and He-4 has been investigated near the tricritical point with laser-light scattering techniques. Rapid decompression of the mixtures results in quenches into the miscibility gap so that both the metastable and unstable (spinodal) regions can be probed. Quenches into the unstable region allowed measurements of the normalized dynamic structure factor S(k,t) that confirm the dynamical scaling hypotheses for spinodal decomposition. Measurements made for concentrations well away from the tricritical value show different behavior and suggest the presence of a spinodal boundary. Forward scattering intensities for shallow quenches probe nucleation phenomena and permit quantitative measurements of anomalous super-cooling as a function of quench rate. Comparisons with data in organic binary mixtures are given.

Hoffer, J. K.↗

The effect of distribution of second phase on dynamic damage

For ductile metals, dynamic fracture occurs principally through void nucleation, growth, and coalescence at heterogeneities in the microstructure. Previous experimental research on high purity metals has shown that microstructural features, such as grain boundaries, inclusions, vacancies, and heterogeneities, can act as initial void nucleation sites. In addition, other research on two-phase materials has also highlighted the importance of the properties of a second phase itself in determining the dynamic response of the overall material. But, previous research has not investigated the effects of the distribution of a second phase on damage nucleation and evolution. To approach this problem in a systematic manner, two copper alloys with 1% lead materials, with the same Pb concentration but different Pb distributions, have been investigated. A new CuPb alloy was cast with a more homogeneous distribution of Pb as compared to a CuPb where the Pb congregated in large “stringer” type configurations. These materials were shock loaded at ~1.2 GPa and soft recovered. In-situ free surface velocity information, and post mortem metallography, reveals that even though the spall strength of both the materials were similar, the total extent and details of damage in the materials varied by 15%. This then suggests that altering the distribution of Pb in the Cu matrix leads to the creation of more void nucleation sites and also changed the rate of void growth.

36 MATERIALS SCIENCE↗

Advancing Chemical Separations: Unraveling the Structure and Dynamics of Phase Splitting in Liquid–Liquid Extraction

Liquid-liquid extraction (LLE), the go-to process for a variety of chemical separations, is limited by spontaneous organic phase splitting upon sufficient solute loading, called third phase formation. In this study we explore the applicability of critical phenomena theory to gain insight into this deleterious phase behavior with the goal of improving separations efficiency and minimizing waste. Here, a series of samples representative of rare earth purification were constructed to include each of one light and one heavy lanthanide (cerium and lutetium) paired with one of two common malonamide extractants (DMDOHEMA and DMDBTDMA). The resulting postextraction organic phases are chemically complex and often form rich hierarchical structures whose statics and dynamics near the critical point were probed herein with small-angle X-ray scattering and high-speed X-ray photon correlation spectroscopy. Despite their different extraction behaviors, all samples show remarkably similar critical behavior with exponents well described by classical critical point theory consistent with the 3D Ising model, where the critical behavior is characterized by fluctuations with a single diverging length scale. This unexpected result indicates a significant reduction in relevant chemical parameters at the critical point, indicating that the underlying behavior of phase transitions in LLE rely on far fewer variables than are generally assumed. The obtained scalar order parameter is attributed to the extractant fraction of the extractant/diluent mixture, revealing that other solution components and their respective concentrations simply shift the critical temperature but do not affect the nature of the critical fluctuations. These findings point to an opportunity to drastically simplify studies of liquid-liquid phase separation and phase diagram development in general while providing insights into LLE process improvement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Peculiarities of the phase transformation dynamics in bulk FeRh based alloys from magnetic and structural measurements

We analyze coexistence of antiferromagnetic and ferromagnetic phases in bulk iron-rhodium and its alloys with palladium, Fe 50,4 Rh 49,6 , Fe 49,7 Rh 47,4 Pd 2,9 and Fe 48,3 Rh 46,8 Pd 4,9 , using neutron diffraction, magnetization and scanning Hall probe imaging. Temperature dependencies of the lattice parameters, AFM and FM phase weight fractions, and Fe magnetic moment values were obtained on cooling and heating across the AFM-FM transition. Substantial thermomagnetic hysteresis for the phases’ weight fractions and a relatively narrow one for the unit cell volume has been observed on cooling-heating. Furthermore, a clear dependence of hysteretic behavior on Pd concentration has been traced. Additional direct magnetic measurements of the spatial distribution of the phase transition are acquired using scanning Hall probe microscopy, which reveals the length scale of the phase coexistence and the spatial progression of the transition in the presence of external magnetic field. Also, the magnetic phase diagram has been constructed for a series of Pd-doped FeRh alloys.

36 MATERIALS SCIENCE↗

Uncovering Droop Control Laws Embedded Within the Nonlinear Dynamics of Van der Pol Oscillators

This paper examines the dynamics of power-electronic inverters in islanded microgrids that are controlled to emulate the dynamics of Van der Pol oscillators. The general strategy of controlling inverters to emulate the behavior of nonlinear oscillators presents a compelling time-domain alternative to ubiquitous droop control methods which presume the existence of a quasistationary sinusoidal steady state and operate on phasor quantities. We present two main results in this paper. First, by leveraging the method of periodic averaging, we demonstrate that droop laws are intrinsically embedded within a slower time scale in the nonlinear dynamics of Van der Pol oscillators. Second, we establish the global convergence of amplitude and phase dynamics in a resistive network interconnecting inverters controlled as Van der Pol oscillators. Furthermore, under a set of nonrestrictive decoupling approximations, we derive sufficient conditions for local exponential stability of desirable equilibria of the linearized amplitude and phase dynamics.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Precision and Fast Wavelength Tuning of a Dynamically Phase-Locked Widely-Tunable Laser

We report a precision and fast wavelength tuning technique demonstrated for a digital-supermode distributed Bragg reflector laser. The laser was dynamically offset-locked to a frequency-stabilized master laser using an optical phase-locked loop, enabling precision fast tuning to and from any frequencies within a ~40-GHz tuning range. The offset frequency noise was suppressed to the statically offset-locked level in less than ~40 s upon each frequency switch, allowing the laser to retain the absolute frequency stability of the master laser. This technique satisfies stringent requirements for gas sensing lidars and enables other applications that require such well-controlled precision fast tuning.

Numata, Kenji↗

The effects of stress, temperature and facet structure on growth of { 10 1 ¯ 2 } twins in Mg: a molecular dynamics and phase field study

The present study focuses on the roles of structure, stress and temperature on the mobility of facets bounding twin domains and on the overall impact on the growth kinetics of { 10 1 ¯ 2 } twins in Mg. We first use molecular dynamics simulations (MD) to study the relationship between interface structures, stress, temperature and mobility. As facets can exhibit distinct atomic scale structures, we also quantify the effect of stress relaxation mediated by misfit dislocations on the mobility of the basal-prismatic interface. The information gathered for ten different facets is used to calibrate an anisotropic phase field model predicting the effects of temperature and stress on the kinetics and shape of a growing { 10 1 ¯ 2 } 3D twin, by comparison with MD data. The comparative analysis suggests that, as compared to simulations of individual facets, the effective mobility of facets can be significantly different during growth of a 3D twin. This can be attributed to the complex three-dimensional internal stress state of the twin and to coupling in facet motion triggered by facet junctions. As such, by directly fitting both the twin growth kinetics and morphology as predicted by MD for different stresses and temperatures, we can identify a limited set of rate-limiting facets that control twin growth and morphology, and measure their effective mobility.

36 MATERIALS SCIENCE↗

Validation of Cryogenic Propellant Tank Self-Pressurization by Leveraging Reduced Order Modeling within Computational Fluid Dynamics Simulation

Validation of cryogenic propellant tank self-pressurization was performed using a hybrid Computational Fluid Dynamics (CFD) and reduced order modeling methodology. Data from a liquid hydrogen ground test conducted at the K-site facility at the National Aeronautics and Space Administration (NASA) Glenn Research Center was used for the validation effort. Liquid phase dynamics were explicitly resolved with a CFD tool. Vapor phase dynamics were modeled as a point mass that communicated heat from the tank wall to the liquid phase via a boundary condition used at the gas-liquid interface. The method proved to be more accurate, robust, and efficient than explicit resolution of the dynamics using a standard Volume of Fluid (VOF) methodology. The subject pressurization process was found to be heavily dependent upon both the relatively high liquid temperature gradient near the gas-liquid interface and the natural convection flow path. Modeling the gas-liquid interface as an immovable surface eliminated temperature gradient destroying gas-liquid interface velocities observed in VOF simulations, and correspondingly enabled more rapid simulation since interface advection was not allowed. The single phase computational domain also facilitated the ability to demonstrate spatial resolution convergence of natural convection cells within the liquid which significantly impacted the tank pressurization rate. This work was used to demonstrate the critical physics for tank self-pressurization and numerical methodologies that may be used to best resolve those physics. The findings informed development and operation of production level CFD tools used in the Fluid Dynamics Branch at NASA Marshall Space Flight Center.

J. M. Brodnick↗

Quench in the 1D Bose-Hubbard model: Topological defects and excitations from the Kosterlitz-Thouless phase transition dynamics

Kibble-Zurek mechanism (KZM) uses critical scaling to predict density of topological defects and other excitations created in second order phase transitions. We point out that simply inserting asymptotic critical exponents deduced from the immediate vicinity of the critical point to obtain predictions can lead to results that are inconsistent with a more careful KZM analysis based on causality – on the comparison of the relaxation time of the order parameter with the ‘‘time distance’’ from the critical point. As a result, scaling of quench-generated excitations with quench rates can exhibit behavior that is locally (i.e., in the neighborhood of any given quench rate) well approximated by the power law, but with exponents that depend on that rate, and that are quite different from the naive prediction based on the critical exponents relevant for asymptotically long quench times. Kosterlitz-Thouless scaling (that governs e.g. Mott insulator to superfluid transition in the Bose-Hubbard model in one dimension) is investigated as an example of this phenomenon.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Lattice dynamics and phase transitions in Fe 3 - x GeTe 2

We present Raman spectroscopy measurements of the van der Waals bonded ferromagnet Fe 3-x GeTe 2 , together with lattice dynamics. Four out of eight Raman active modes are observed and assigned, in agreement with numerical calculations. The energies and linewidths of the observed modes display an unconventional temperature dependence at about 150 and 220 K, followed by the nonmonotonic evolution of the Raman continuum. Whereas the former can be related to the magnetic phase transition, the origin of the latter anomaly remains an open question.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Studies of Two-Phase Flow Dynamics and Heat Transfer at Reduced Gravity Conditions

The ability to predict gas-liquid flow patterns is crucial to the design and operation of two-phase flow systems in the microgravity environment. Flow pattern maps have been developed in this study which show the occurrence of flow patterns as a function of gas and liquid superficial velocities as well as tube diameter, liquid viscosity and surface tension. The results have demonstrated that the location of the bubble-slug transition is affected by the tube diameter for air-water systems and by surface tension, suggesting that turbulence-induced bubble fluctuations and coalescence mechanisms play a role in this transition. The location of the slug-annular transition on the flow pattern maps is largely unaffected by tube diameter, liquid viscosity or surface tension in the ranges tested. Void fraction-based transition criteria were developed which separate the flow patterns on the flow pattern maps with reasonable accuracy. Weber number transition criteria also show promise but further work is needed to improve these models. For annular gas-liquid flows of air-water and air- 50 percent glycerine under reduced gravity conditions, the pressure gradient agrees fairly well with a version of the Lockhart-Martinelli correlation but the measured film thickness deviates from published correlations at lower Reynolds numbers. Nusselt numbers, based on a film thickness obtained from standard normal-gravity correlations, follow the relation, Nu = A Re(sup n) Pr(exp l/3), but more experimental data in a reduced gravity environment are needed to increase the confidence in the estimated constants, A and n. In the slug flow regime, experimental pressure gradient does not correlate well with either the Lockhart-Martinelli or a homogeneous formulation, but does correlate nicely with a formulation based on a two-phase Reynolds number. Comparison with ground-based correlations implies that the heat transfer coefficients are lower at reduced gravity than at normal gravity under the same flow conditions. Nusselt numbers can be correlated in a fashion similar to Chu and Jones.

Witte, Larry C.↗

A note on the application of the Prigogine theorem to rotation of tokamak-plasmas in absence of external torques

Rotation of tokamak-plasmas, not at the mechanical equilibrium, is investigated using the Prigogine thermodynamic theorem. This theorem establishes that, for systems confined in rectangular boxes, the global motion of the system with barycentric velocity does not contribute to dissipation. This result, suitably applied to toroidally confined plasmas, suggests that the global barycentric rotations of the plasma, in the toroidal and poloidal directions, are pure reversible processes. In case of negligible viscosity and by supposing the validity of the balance equation for the internal forces, we show that the plasma, even not in the mechanical equilibrium, may freely rotate in the toroidal direction with an angular frequency, which may be higher than the neoclassical estimation. In addition, its toroidal rotation may cause the plasma to rotate globally in the poloidal direction at a speed faster than the expression found by the neoclassical theory. The eventual configuration is attained when the toroidal and poloidal angular frequencies reaches the values that minimize dissipation. The physical interpretation able to explain the reason why some layers of plasma may freely rotate in one direction while, at the same time, others may freely rotate in the opposite direction, is also provided. Invariance properties, herein studied, suggest that the dynamic phase equation might be of the second order in time. We then conclude that a deep and exhaustive study of the invariance properties of the dynamical and thermodynamic equations is the most correct and appropriate way for understanding the triggering mechanism leading to intrinsic plasma-rotation in toroidal magnetic configurations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

An Overview of the NASA Advanced Composites Consortium High Energy Dynamic Impact Phase II Technical Path

Advanced composite structures are increasingly becoming the norm for use in military and commercial aircraft. Many of these structures are in places that are prone to high energy dynamic impact (HEDI) such as a wing or fuselage structures subjected to bird strike or a fan blade out event. Certification testing is expensive and industry currently lacks to the tools to perform reliable certification by analysis or smarter testing. As such, the NASA Advanced Composites Consortium HEDI team was formed with representatives from aerospace original equipment manufacturers, government research laboratories, and academia to advance the state-of-the-art in emerging progressive damage and failure analysis (PDFA) methods in a two phase program. These PDFA approaches have the ability to predict ply-by-ply level damage in composite structures, but to date, have not been thoroughly vetted for HEDI events. In this paper, the technical path that is used in Phase II of the program is presented.

Justusson, Brian↗

Ultrafast x-ray diffraction of high-pressure phases in dynamically compressed TiO 2

Here, we investigate the high-pressure polymorphism of Ti⁢O 2 under laser-shock compression from 54(5) to 137(7) GPa using in situ femtosecond x-ray diffraction. Our results provide experimental evidence of the 𝑃⁢𝑐⁢𝑎⁢2 1 -type distorted fluorite structure formed from polycrystalline Ti⁢O 2 dynamically compressed to 54(5) GPa. Upon higher compression, we observe the direct formation of the ninefold coordinated F⁡e 2 ⁢P-type phase at 68(4) and 78(3) GPa in polycrystalline and [001]-oriented Ti⁢O 2 , respectively. This represents an unprecedented 100 GPa reduction in the shock synthesis pressure of the F⁡e 2⁢ P-type structure relative to quasihydrostatic loading conditions. On pressure release, the F⁡e 2⁢ P-type phase transforms to the α-Pb⁢O 2 structure and, at later times, reverts to rutile. Thus, the rutile →F⁡e 2⁢ P and α-Pb⁢O 2 →rutile transformations are both observed to occur on nanosecond timescales. Our results highlight the unique ability of high-strain-rate uniaxial compression to synthesize novel high-pressure phases and also indicate the importance of in situ atomic-level probes in developing pressure-temperature phase diagrams.

Crystal structures↗