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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Recent insights into instability and transition to turbulence in open-flow systems

Roads to turbulence in open-flow shear layers are interpreted as sequences of often competing instabilities. These correspond to primary and higher order restructurings of vorticity distributions which culminate in convected spatial disorder (with some spatial coherence on the scale of the shear layer) traditionally called turbulence. Attempts are made to interpret these phenomena in terms of concepts of convective and global instabilities on one hand, and of chaos and strange attractors on the other. The first is fruitful, and together with a review of mechanisms of receptivity provides a unifying approach to understanding and estimating transition to turbulence. In contrast, current evidence indicates that concepts of chaos are unlikely to help in predicting transition in open-flow systems. Furthermore, a distinction should apparently be made between temporal chaos and the convected spatial disorder of turbulence past Reynolds numbers where boundary layers and separated shear layers are formed.

Morkovin, Mark V.↗
DOE OSTI2012

Effects of scandium substitution on the crystal structure and luminescence properties of LuBO{sub 3}: Ce{sup 3+}

The calcite phase of LuBO{sub 3} and ScBO{sub 3} polycrystalline powders were synthesized by solid state reaction method, and the Lu{sub 1-x}Sc{sub x}BO{sub 3}:Ce (x=0.2, 0.5, 0.7) single crystals were grown by the Czochralski method. A large composition deviation between the initial polycrystalline powders and final single crystal was confirmed by electron probe micro-analysis. Raman spectroscopy revealed that moderate lattice disorder was induced by scandium substitution. However, based on the single crystal X-ray study, we finally concluded that the crystal structure of lutetium scandium orthoborate still crystallized in the rhombohedral system belonging to R3{sup -}c. Furthermore, the relationship between the energies of the five 5d levels of Ce{sup 3+} and the crystalline environment was revealed. The total redshift, total crystal field splitting, and centroid shift of Lu{sub 1-x}Sc{sub x}BO{sub 3}:Ce{sup 3+} were calculated based on their VUV excitation spectra. The variations trend of these observed spectroscopic parameters was in accordance with the predicted ones. - Graphical abstract: The crystal structure of Lu{sub 1-x}Sc{sub x}BO{sub 3}:Ce is rhombohedral system with R3{sup -}c space group. The relationship between the energies of the five Ce{sup 3+} 5d levels and the crystalline environment is established. Highlights: Black-Right-Pointing-Pointer Moderate lattice disorder is induced by scandium doping. Black-Right-Pointing-Pointer The crystal structure of Lu{sub 1-x}Sc{sub x}BO{sub 3}:Ce is rhombohedral system with R3{sup -}c space group. Black-Right-Pointing-Pointer Relationship between energies of Ce{sup 3+} 5d levels and crystalline environment is established. Black-Right-Pointing-Pointer The spectroscopic parameters are experimentally and theoretically calculated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Component Particle Structure in Heterogeneous Disordered Ensembles Extracted from High-Throughput Fluctuation X-Ray Scattering

The ring angular correlation function is a characteristic feature determined by the particle structure. Averaging over a large number of ring angular correlation functions calculated from x-ray diffraction patterns will cancel out the cross correlations between different particles and converge to the autocorrelation functions of single particles. Applied on heterogeneous disordered ensembles, the retrieved function is a linear combination of a single-particle autocorrelation function multiplied by the molar ratios in a heterogeneous system. Using this relation, the ring angular correlation functions of the individual component particles in the heterogeneous system can be retrieved through the high throughput fluctuation x-ray scattering technique. This method is demonstrated with a simulated heterogeneous system composed of nanorods, nanoprism, and nanorice.

Fluctuation X-ray Scattering, high throughput, Het↗
DOE OSTI2011

Weak chaos in the disordered nonlinear Schroedinger chain: Destruction of Anderson localization by Arnold diffusion

Research Highlights: > In a one-dimensional disordered chain of oscillators all normal modes are localized. > Nonlinearity leads to chaotic dynamics. > Chaos is concentrated on rare chaotic spots. > Chaotic spots drive energy exchange between oscillators. > Macroscopic transport coefficients are obtained. - Abstract: The subject of this study is the long-time equilibration dynamics of a strongly disordered one-dimensional chain of coupled weakly anharmonic classical oscillators. It is shown that chaos in this system has a very particular spatial structure: it can be viewed as a dilute gas of chaotic spots. Each chaotic spot corresponds to a stochastic pump which drives the Arnold diffusion of the oscillators surrounding it, thus leading to their relaxation and thermalization. The most important mechanism of equilibration at long distances is provided by random migration of the chaotic spots along the chain, which bears analogy with variable-range hopping of electrons in strongly disordered solids. The corresponding macroscopic transport equations are obtained.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Standing spin-wave mode structure and linewidth in partially disordered hexagonal arrays of perpendicularly magnetized sub-micron Permalloy discs

Standing spin wave mode frequencies and linewidths in partially disordered perpendicular magnetized arrays of sub-micron Permalloy discs are measured using broadband ferromagnetic resonance and compared to analytical results from a single, isolated disc. The measured mode structure qualitatively reproduces the structure expected from the theory. Fitted demagnetizing parameters decrease with increasing array disorder. The frequency difference between the first and second radial modes is found to be higher in the measured array systems than predicted by theory for an isolated disc. The relative frequencies between successive spin wave modes are unaffected by reduction of the long-range ordering of discs in the array. An increase in standing spin wave resonance linewidth at low applied magnetic fields is observed and grows more severe with increased array disorder.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Thermodynamic Modeling of Complex Solid Solutions in the Lu-H-N System via Graph Neural Network Accelerated Monte Carlo Simulations

Metal hydrides are important across diverse applications, such as hydrogen storage, batteries, gas sensors, nuclear reactions, and high-temperature superconductivity. Previous computational studies of metal hydrides under extreme pressures, e.g., 𝑂⁡(10 2 ) ⁢GPa, usually treat them as stoichiometric compounds without considering interstitial lattice disorder. As pressures become more moderate in the 𝑂⁡(10 0 ) ⁢GPa and below range, hydrogen disorder at interstitial lattice sites becomes prominent, e.g., in the N-doped Lu hydride that was recently claimed superconducting near 1 GPa. Further adding compositional complexity from alloying and/or multielement interstitial occupation makes elucidating pressure- and temperature-dependent observables intractable by first-principles calculations alone. We therefore propose a lattice graph neural-network surrogate modeling approach to predict configuration- and pressure-dependent equation-of-state properties. Their efficiency permits Monte Carlo simulations to calculate Gibbs energies and pressure-dependent phase diagrams, thereby revealing insights into the synthesis conditions required for achieving desired phase equilibria. We demonstrate this concept for the compositionally complex cubic Lu(H,N,Va) 3 system where three constituents (hydrogen, nitrogen and vacancy) have disordered multielement interstitial occupancies and insights into pressure-dependent phase equilibria are critically needed, e.g., N-doping levels can significantly lower dehydrogenation temperatures and provide a new strategy to optimize hydrogen-storage alloys. This work can improve the thermodynamic understanding of the Lu-H-N system and help rational synthesis of N-doped Lu hydrides, but more generally demonstrates an efficient approach to model pressure-dependent thermodynamics of multicomponent solid solutions.

Monte Carlo methods↗
NASA NTRSDate not supplied

Disorder to Order in Interface Patterns: Thermal Noise to Limit Cycle Transition in Dendrite Sidebranch Formation

Thin sample directional solidification experiments have been carried out in the model succinonitrile-camphor system to examine the origin of secondary branches in dendrite morphologies. Thermal noise at the dendrite tip creates interface instabilities which amplify to form sidebranches. This is accepted as the primary mode of sidebranching in dendritic growth from an undercooled melt and occurs in directional solidification of dendrites. The proposed limit cycle couples the growth of the tip with the initiation of the sidebranch. Directional solidification of curved interfaces is a driven dissipative system with the potential to form a limit cycle. Two sets of experiments were performed, the first holding velocity constant and evolving the gradient and the second imposing oscillating velocities around the natural period of sidebranching. Both experimental methods were found to characterize a transition from disordered sidebranching induced by thermal noise to ordered sidebranching produced by the limit cycle mechanisms. This is the first quantitative measurement of previously hypothesized limit cycle growth. These experiment sets have been quantitatively analyzed for dynamic behavior seen in limit cycles. High-quality data sets of the tip and instability enable the measurement of the FFT and analysis through a power spectrum. At low gradients, the sidebranches are found to be excited by thermal noise far away from the tip. As the gradient increases and velocity is held constant, the distance between the instability and tip decreases until limit cycle growth is found between the tip of the primary dendrite and the first forming sidebranch. An alternative to the deterministic limit cycles seen in experiments of gradient evolution is a limit cycle actively driven through the square wave oscillation of velocity. Crucial observations of the solidified microstructure conclude that this produced periodic interconnected bridges between the primary dendrites. This is a finding with potentially significant implications for commercial applications.

Trevor Lyons↗
DOE OSTI2015

Investigating the atomic level influencing factors of glass forming ability in NiAl and CuZr metallic glasses

Bulk metallic glasses are a relatively new class of amorphous metal alloy which possess unique mechanical and magnetic properties. The specific concentrations and combinations of alloy elements needed to prevent crystallization during melt quenching remains poorly understood. A correlation between atomic properties that can explain some of the previously identified glass forming ability (GFA) anomalies of the NiAl and CuZr systems has been identified, with these findings likely extensible to other transition metal–transition metal and transition metal–metalloid (TM–M) alloy classes as a whole. In this work, molecular dynamics simulation methods are utilized to study thermodynamic, kinetic, and structural properties of equiatomic CuZr and NiAl metallic glasses in an attempt to further understand the underlying connections between glass forming ability, nature of atomic level bonding, short and medium range ordering, and the evolution of structure and relaxation properties in the disordered phase. The anomalous breakdown of the fragility parameter as a useful GFA indicator in TM–M alloy systems is addressed through an in-depth investigation of bulk stiffness properties and the evolution of (pseudo)Gruneisen parameters over the quench domain, with the efficacy of other common glass forming ability indicators similarly being analyzed through direct computation in respective CuZr and NiAl systems. Comparison of fractional liquid-crystal density differences in the two systems revealed 2-3 times higher values for the NiAl system, providing further support for its efficacy as a general purpose GFA indicator.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Metamagnetism and kinetic arrest in a long-range ferromagnetically ordered multicaloric double perovskite Y 2 CoMnO 6

A systematic magnetic study of the double perovskite oxide Y 2 CoMnO 6 (YCMO) has been performed. A monoclinic P21/n phase of YCMO was synthesized using a sol-gel method. Neutron diffraction (ND) measurements evidence the onset of long-range ferromagnetic (FM) ordering at TC ~ 76 K, which persists down to 5 K. The presence of 25% antisite disorder, estimated from the ND data, leads to the appearance of short-range antiferromagnetic (AFM) interactions. The existence of thermal hysteresis due to competing interactions between FM and AFM phases is observed in the M vs. T measurements. The pinning of magnetic domain walls at the Co/Mn antiphase boundaries results in a metamagnetic-like behavior. The field dependence of thermomagnetic irreversibility and the nature of virgin curves indicate the occurrence of a kinetic arrest phenomenon, which is further verified via cooling and heating of the system in an unequal fields (CHUF) protocol. In full agreement with the ND data, a detailed analysis of critical exponents near the paramagnetic (PM)-FM phase transition also establishes YCMO as a long-range interacting mean-field system. A close examination of the temperature- and field-dependent magnetic entropy change yields an in-depth understanding of coexisting magnetically ordered and disordered phases in YCMO, leading to a comprehensive magnetic phase diagram of this multifunctional double perovskite system.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Moment-Volume Coupling in La(Fe 1 -x Si x ) 13

We investigate the origin of the volume change and magnetoelastic interaction observed at the magnetic first-order transition in the magnetocaloric system La(Fe 1-x Six) 13 by means of first-principles calculations combined with the fixed-spin moment approach. Here, we find that the volume of the system varies with the square of the average local Fe moment, which is significantly smaller in the spin disordered configurations compared to the ferromagnetic ground state. The vibrational density of states obtained for a hypothetical ferromagnetic state with artificially reduced spin-moments compared to a nuclear inelastic X-ray scattering measurement directly above the phase transition reveals that the anomalous softening at the transition essentially depends on the same moment-volume coupling mechanism. Finally, in the same spirit, the dependence of the average local Fe moment on the Si content can account for the occurence of first- and second-order transitions in the system.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electron Microscopy Approaches to Unraveling the Structure of Amorphous Materials

Determining atomic structures in crystalline materials—where atoms are arranged in rigid, periodic lattices—has been highly successful using probes such as electrons, X-rays, and neutrons. In contrast, amorphous materials, despite their ubiquity and technological importance, remain far more challenging to characterize with comparable accuracy and precision. This review highlights existing, emerging, and potential (scanning) transmission electron microscopy ((S)TEM) techniques for probing short- and medium-range order in amorphous materials. Approaches ranging from high-resolution (S)TEM imaging and selected electron diffraction pattern to four-dimensional STEM (4D-STEM) based pair distribution function, fluctuation electron microscopy, tomography, ptychography, and spectroscopic methods are discussed, emphasizing their ability to provide complementary insights across multiple length scales—from sub-angstrom local environments to nanometer-scale correlations. Here, we further explore the promise of multimodal and correlative strategies, as well as the growing role of machine learning and physics-informed AI in enabling real-time, quantitative interpretation of complex structural signatures. Together, these advances point toward a future where electron microscopy not only reveals the hidden order in amorphous systems but also establishes robust structure–property relationships, paving the way for materials innovation in disordered matter.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

Synthesis and characterization of R{sub 2}MnTiO{sub 7} (R = Y and Er) pyrochlores oxides

Graphical abstract: - Abstract: New pyrochlore-like phases of composition R{sub 2}MnTiO{sub 7} (R = Er and Y) have been synthesized by a soft-chemistry procedure involving citrates of the different metal ions followed by thermal treatments at moderate temperatures (850 °C for 12 h in air). A characterization by X-ray diffraction and neutron powder diffraction (NPD) has been carried out in order to determine the crystal structure features: these phyrochlores are cubic, space group Fd-3m, defining an intrinsically frustrated three-dimensional system. The Rietveld-refinement from NPD data at room temperature evidences an antisite cation disorder (distribution of Mn between A and B positions) that is accompanied by an increment of the oxygen-vacancy concentration due to the reduction of Mn{sup 4+} at the B position to Mn{sup 2+} at the A position. Thermogravimetric analysis (TGA) was useful to evaluate the stability of these oxides in reducing conditions up to 500 °C. Magnetic susceptibility measurements indicate a ferromagnetic behavior, due to the random distribution of Mn{sup 4+} ions in the octahedral sublattice. At lower temperatures there is a polarization of the R{sup +3} magnetic moments, which also participate in the magnetic structure. Aiming to evaluate these materials as possible electrodes for solid oxide fuel cells (SOFC) we determined that the thermal expansion coefficients between 100 and 900 °C perfectly match with those of the usual electrolytes; however, these pyrochlore oxides display a semiconductor-like behavior with poor conductivity values, e.g. 6 × 10{sup −3} cm{sup −1} at 850 °C for Er, which would prevent its use as MIEC (mixed ionic-electronic conductors) oxides in SOFC devices.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Observation of trapped light within the radiation continuum

The ability to confine light is important both scientifically and technologically. While many light confinement methods exist, they all achieve confinement with materials or systems that forbid outgoing waves. These systems can be implemented by metallic mirrors, by photonic band-gap materials, by highly disordered media (Anderson localization) and, for a subset of outgoing waves, by translational symmetry (total internal reflection) or by rotational or reflection symmetry. Exceptions to these examples exist only in theoretical proposals. Here we predict and show experimentally that light can be perfectly confined in a patterned dielectric slab, even though outgoing waves are allowed in the surrounding medium. Technically, this is an observation of an ‘embedded eigenvalue’—namely, a bound state in a continuum of radiation modes—that is because of symmetry incompatibility. Such a bound state can exist stably in a general class of geometries in which all of its radiation amplitudes vanish simultaneously as a result of destructive interference. This method to trap electromagnetic waves is also applicable to electronic12 and mechanical waves.

14 SOLAR ENERGY↗
DOE OSTI2014

InGaN/GaN quantum wells for polariton laser diodes: Role of inhomogeneous broadening

Contrary to the case of III-nitride based visible light-emitting diodes for which the inhomogeneous linewidth broadening characteristic of InGaN-based multiple quantum well (MQW) heterostructures does not appear as a detrimental parameter, such a broadening issue can prevent a microcavity (MC) system entering into the strong light-matter coupling regime (SCR). The impact of excitonic disorder in low indium content (x ∼ 0.1) In{sub x}Ga{sub 1–x}N/GaN MQW active regions is therefore investigated for the subsequent realization of polariton laser diodes by considering both simulations and optical characterizations. It allows deriving the requirements for such MQWs in terms of absorption, emission linewidth, and Stokes shift. Systematic absorption-like and photoluminescence (PL) spectroscopy experiments are performed on single and multiple In{sub 0.1}Ga{sub 0.9}N/GaN quantum wells (QWs). Micro-PL mappings reveal a low temperature PL linewidth of ∼30 meV, compatible with SCR requirements, for single QWs for which the microscopic origin responsible for this broadening is qualitatively discussed. When stacking several InGaN/GaN QWs, a departure from such a narrow linewidth value and an increase in the Stokes shift are observed. Various possible reasons for this degradation such as inhomogeneous built-in field distribution among the QWs are then identified. An alternative solution for the MC design to achieve the SCR with the InGaN alloy is briefly discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Wave-particle dynamics of waveform and defect evolutions in undulated nonlinear self-excited dust acoustic waves

The wave-particle dynamics for the evolutions of defects and surrounding pitchfork type waveforms of a weakly disordered self-excited dust acoustic wave is experimentally investigated in an rf dusty plasma system. Particle trajectories are tracked and correlated with waveform evolution to construct an Eulerian-Lagrangian wave-particle dynamical picture. It is found that the local accumulation and depletion of particles in the wave crest and rear, respectively, determines the local crest speed, and the growth and decay of the local crest height, which in turn determine the waveform evolution. The local crest height and the focusing and defocusing of particle trajectories due to the transverse force fields from the tilted wave crest and the non-uniform crest height along the wave crest are the key factors to determine the above particle accumulation and depletion. It explains the observations such as the lower speed of smaller crests, the straightening of the leading front of the pitchfork waveform associated with the transverse motion of defect to the open side, and the vertical defect gliding in the wave frame through the detachment of the strongly kinked pitchfork branch followed by its reconnection with the trailing crest.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Anomalous Drag in Electron-Hole Condensates with Granulated Order

We explain the strong interlayer drag resistance observed at low temperatures in bilayer electron-hole systems in terms of an interplay between local electron-hole-pair condensation and disorder-induced carrier density variations. Smooth disorder drives the condensate into a granulated phase in which interlayer coherence is established only in well-separated and disconnected regions, or grains, within which the densities of electrons and holes accidentally match. The drag resistance is then dominated by Andreev-like scattering of charge carriers between layers at the grains that transfers momentum between layers. We show that this scenario can account for the observed dependence of the drag resistivity on temperature and, on average, charge imbalance between layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Unexpected dependence of the anomalous Hall angle on the Hall conductivity in amorphous transition metal thin films

The anomalous Hall effect (AHE), and magnetic and electronic transport properties were investigated in a series of amorphous transition metal thin films— Fe x S i –x , Fe x Ge 1-x , Co x Ge 1–x , Co x Si 1–x , and Fe 1–y Co y Si. The experimental results are compared with density functional theory calculations of the density of Berry curvature and intrinsic anomalous Hall conductivity. In all samples, the longitudinal conductivity (σ xx ), magnetization (M), and Hall resistivity (ρ xy ) increase with increasing transition metal concentration; due to the structural disorder σ xx is lower in all samples than a typical crystalline metal. In the systems with Fe as the transition metal (including Fe 1–y Co y Si), the magnetization and AHE are large and in some cases greater than the crystalline analog. In all samples, the AHE is dominated by the intrinsic mechanism, arising from a nonzero, locally derived Berry curvature. The anomalous Hall angle (AHA) (= σ xy /σ xx ) is as large as 5% at low temperature. These results are compared with the AHAs reported in a broad range of crystalline and amorphous materials. Previous work has shown that in a typical crystalline ferromagnet the Hall conductivity (σ xy ) and σ xx are correlated and are usually either both large or both small, resulting in an AHA that decreases with increasing σ xy . By contrast, the AHA increases linearly with increasing σ xy in the amorphous systems. This trend is attributed to a generally low σ xx , while σ xy varies and can be large. In the amorphous systems, σ xx and σ xy are not coupled, and there may thus exist the potential to further increase the AHA by increasing σ xy .

36 MATERIALS SCIENCE↗