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At least 487 records · Page 27

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NASA NTRS1987

Weak double layers in the auroral ionosphere

Previous work on the evolution of weak double layers in a hydrogen plasma was extended to include H(+) and O(+) with relative drift. The relative drift between hydrogen and oxygen ions due to a quasi-static parallel electric field gives rise to a strong linear fluid instability which dominates the ion-acoustic mode at the bottom of the auroral acceleration region. This ion-ion instability can modify ion distributions at lower altitudes and the subsequent nonlinear evolution of weak double layers at higher altitudes in the ion-acoustic regime. Ion hole formation can occur for smaller relative electron-ion drifts than seen in previous simulations, due to the hydrogen-oxygen two-stream instability. This results in local modification of the ion distributions in phase space, and a partial filling of the valley between the hydrogen and oxygen peaks, which would be expected at higher altitudes on auroral field lines. The observed velocity diffusion does not necessarily preclude ion hole and double layer formation in hydrogen in the ion-acoustic regime. These simulation results are consistent with the experimentally measured persistence of separate hydrogen and oxygen peaks, and the observation of weak double layers above an altitude of 3000 km on auroral field lines.

Hudson, M. K.↗

DOE OSTI2020

Confinement, reduced entanglement, and spin-glass order in a random quantum spin-ice model

In this work, we study an effective spin model derived perturbatively from a random transverse-field Ising model on the pyrochlore lattice. The model consists of spin configurations on the pyrochlore lattice, restricted to the spin-ice subspace, with spins interacting with random Ising exchange couplings as well as ring exchanges along the hexagons of the lattice. This model is studied by exact diagonalization up to N=64 site systems. Furthermore, we calculate spin-glass correlation functions and local entanglement entropy S T between spins in a single tetrahedron and the rest of the system. We find that the model undergoes two phase transitions. At weak randomness the model is in a quantum spin-ice phase where S T =ln 6. Increasing randomness, at low transverse fields, first leads to a frozen phase, with long-range spin-glass order and S T =ln 2 corresponding to the Cat states associated with Ising order. Further increase in randomness leads to a random resonating-hexagon phase with a frozen backbone of spins and a broad distribution of entanglement entropies. The implications of these studies for non-Kramers rare-earth pyrochlores are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Bohm Criterion of Plasma Sheaths away from Asymptotic Limits

The plasma exit flow speed at the sheath entrance is constrained by the Bohm criterion. The so-called Bohm speed regulates the plasma particle and power exhaust fluxes to the wall, and it is commonly deployed as a boundary condition to exclude the sheath region in quasineutral plasma modeling. In this work, the Bohm criterion analysis is performed in the intermediate plasma regime away from the previously known limiting cases of adiabatic laws and the asymptotic limit of infinitesimal Debye length in a finite-size system, using the transport equations of an anisotropic plasma. The resulting Bohm speed has explicit dependence on local plasma heat flux, temperature isotropization, and thermal force. Comparison with kinetic simulations demonstrates its accuracy over the plasma-sheath transition region in which quasineutrality is weakly perturbed and the Bohm criterion applies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Combining Observations and Models: A Review of the CARDAMOM Framework for Data‐Constrained Terrestrial Ecosystem Modeling

The rapid increase in the volume and variety of terrestrial biosphere observations (i.e., remote sensing data and in situ measurements) offers a unique opportunity to derive ecological insights, refine process‐based models, and improve forecasting for decision support. However, despite their potential, ecological observations have primarily been used to benchmark process‐based models, as many past and current models lack the capability to directly integrate observations and their associated uncertainties for parameterization. In contrast, data assimilation frameworks such as the CARbon DAta MOdel fraMework (CARDAMOM) and its suite of process‐based models, known as the Data Assimilation Linked Ecosystem Carbon Model (DALEC), are specifically designed for model‐data fusion. This review, motivated by a recent CARDAMOM community workshop, examines the development and applications of CARDAMOM, with an emphasis on its role in advancing ecosystem process understanding. CARDAMOM employs a Bayesian approach, using a Markov Chain Monte Carlo algorithm to enable data‐driven calibration of DALEC parameters and initial states (i.e., carbon pool sizes) through observation operators. CARDAMOM's unique ability to retrieve localized model process parameters from diverse datasets—ranging from in situ measurements to global satellite observations—makes it a highly flexible tool for analyzing spatially variable ecosystem responses to environmental change. However, assimilating these data also presents challenges, including data quality issues that propagate into model skill, as well as trade‐offs between model complexity, parameter equifinality, and predictive performance. We discuss potential solutions to these challenges, such as reducing parameter equifinality by incorporating new observations. This review also offers community recommendations for incorporating emerging datasets, integrating machine learning techniques, strengthening collaboration with remote sensing, field, and modeling communities, and expanding CARDAMOM's relevance for localized ecosystem monitoring and decision‐making. CARDAMOM enables a deep, mechanistic understanding of terrestrial ecosystem dynamics that cannot be achieved through empirical analyses of observational datasets or weakly constrained models alone.

Bayesian inference↗

DOE OSTI2024

Machine Learning-Driven Quantification of CO2 Plume Dynamics at Illinois Basin Decatur Project Sites Using Microseismic Data

This study utilizes machine learning to quantify CO2 plume extents by analyzing microseismic data from the Illinois Basin Decatur Project (IBDP). Leveraging a unique dataset of well logs, microseismic records, and CO2 injection metrics, this work aims to predict the temporal evolution of subsurface CO2 saturation plumes. The findings illustrate that machine learning can predict plume dynamics, revealing vertical clustering of microseismic events over distinct time periods within certain proximities to the injection well, consistent with an invasion percolation model. The buoyant CO2 plume partially trapped within sandstone intervals periodically breaches localized barriers or baffles, which act as leaky seals and impede vertical migration until buoyancy overcomes gravity and capillary forces, leading to breakthroughs along vertical zones of weakness. Between different unsupervised clustering techniques, K-Means and DBSCAN were applied and analyzed in detail, where K-means outperformed DBSCAN in this specific study by indicating the combination of the highest Silhouette Score and the lowest Davies–Bouldin Index. The predictive capability of machine learning models in quantifying CO2 saturation plume extension is significant for real-time monitoring and management of CO2 sequestration sites. The models exhibit high accuracy, validated against physical models and injection data from the IBDP, reinforcing the viability of CO2 geological sequestration as a climate change mitigation strategy and enhancing advanced tools for safe management of these operations.

Iyegbekedo, Ikponmwosa↗

NASA NTRS1975

On the origin of molecular 'handedness' in living systems

Elementary particle effects (beta-decay) provide only a weakly handed radiation in the biologically effective energy ranges. Global magnetic effects coupled to sunlight are randomized by paleomagnetic reversals. A persistent terrestrial handed bias at possible local biopoetic sites offers a more promising explanation for the origin of the 'handedness' of the molecules found among living systems on earth. Magnetite in lava flows maintains a handed bias for surface catalysis through many magnetic reversals. Indirect evidence for the hypothesis that magnetite contaminated with sulfur is a possible biopoetic site (Granick, 1957) has been provided by the molecular structure of ferredoxin - a single strand of the 14 primordial amino acids wrapped around an FeS core. Lava flows have been suggested as biopoetic sites by Fox (1964), since their temperature and chemical composition might allow for the rapid synthesis of prebiotic compounds at the surface of the primitive earth. The additional fact that magetite in lava flows also provides a persistent handed site for surface catalysis offers a further argument for the experimental investigation of this specific biopoetic environment.

Noyes, H. P.↗

NASA NTRS1990

Reynolds stress closure in jet flows using wave models

A collection of papers is presented. The outline of this report is as follows. Chapter three contains a description of a weakly nonlinear turbulence model that was developed. An essential part of the application of such a closure scheme to general geometry jets is the solution of the local hydrodynamic stability equation for a given jet cross-section. Chapter four describes the conformal mapping schemes used to map such geometries onto a simple computational domain. Chapter five describes a solution of a stability problem for circular, elliptic, and rectangular geometries. In chapter six linear models for the shock shell structure in non-circular jets is given. The appendices contain reprints of papers also published during this study including the following topics: (1) instability of elliptic jets; (2) a technique for predicting the shock cell structure in non-circular jets using a vortex sheet model; and (3) the resonant interaction between twin supersonic jets.

Morris, Philip J.↗

DOE OSTI2022

Probing Temperature‐Induced Phase Transitions at Individual Ferroelectric Domain Walls

Abstract Ferroelectric domain walls have emerged as one of the most fascinating objects in condensed matter physics due to the broad variability of functional behaviors they exhibit. However, the vast majority of domain walls studies have been focused on bias‐induced dynamics and transport behaviors. Here, the scanning probe microscopy approach based on piezoresponse force microscopy (PFM) with a dynamically heated probe, combining local heating and local biasing of the material is introduced. This approach is used to explore the thermal polarization dynamics in soft Sn 2 P 2 S 6 ferroelectrics, and allows for the exploration of phase transitions at individual domain walls. The strong and weak modulation regimes for the thermal PFM are introduced. The future potential applications of heated probe approach for functional SPM measurements including piezoelectric, elastic, microwave, and transport measurements are discussed.

36 MATERIALS SCIENCE↗

NASA NTRS1998

Discovery of the 198 Second X-Ray Pulsar GRO J2058+42

GRO J2058+42, a transient 198 s X-ray pulsar, was discovered by the Burst and Transient Source Experiment (BATSE) on the Compton Gamma Ray Observatory (CGRO) during a "giant" outburst in 1995 September-October. The total flux peaked at about 300 mcrab (20-50 keV) as measured by Earth occultation. The pulse period decreased from 198 to 196 s during the 46 day outburst. The pulse shape evolved over the course of the outburst and exhibited energy-dependent variations. BATSE observed five additional weak outbursts from GRO J2058 + 42, each with a 2 week duration and a peak-pulsed flux of about 15 mcrab (20-50 keV), that were spaced by about 110 days. An observation of the 1996 November outburst by the Rossi X-Ray Timing Explorer (RXTE) proportional counter array (PCA) localized the source to within a 4 s radius error circle (90% confidence) centered on R.A. = 20h 59m.0, decl. = 41 deg 43 s (J2000). Additional shorter outbursts with peak-pulsed fluxes of about 8 mcrab were detected by BATSE halfway between the first four 15 mcrab outbursts. The RXTE All-Sky Monitor detected all eight weak outbursts with approximately equal durations and intensities. GRO J2058 + 42 is most likely a Be/X-ray binary that appears to outburst at periastron and apastron, No optical counterpart has been identified to date, and no X-ray source was present in the error circle in archival ROSAT observations.

Wilson, Colleen A.↗

NASA NTRS1959

Structure of Weak Shock Waves in a Monatomic Gas

The profiles and thicknesses of normal shock waves in argon at Mach numbers of 1.335, 1.454, 1.576, and 1-713 were determined experimentally by means of a free-molecule probe whose equilibrium temperature is related by kinetic theory to the local flow properties and their gradients. Comparisons were made between the experimental shock profiles and the theoretical profiles calculated from the Navier-Stokes equations, the Grad 13-moment equations, and the Burnett equations. New, very accurate numerical integrations of the Burnett equations were obtained for this purpose with results quite different from those found by Zoller, to whom the solution of this problem is frequently attributed. The experimental shock profiles were predicted with approximately equal success by the Navier-Stokes and Burnett theories, while the 13-moment method was definitely less satisfactory. A surprising feature of the theoretical results is the relatively small difference in predictions between the Navier-Stokes and Burnett theories in the present range of shock strengths and the contrastingly large difference between predictions of Burnett and the 13-moment theories. It is concluded that the Navier-Stokes equations are correct for weak shocks and that within the present shock strength range the Burnett equations make no improvement which merits the trouble of solving them. For shocks of noticeably greater strength, say with a shock Mach number of more than 2.5, it remains fundamentally doubtful that any of these theories can be correct.

Sherman, F. S.↗

DOE OSTI2020

The impacts of biomass burning activities on convective systems over the Maritime Continent

Convective precipitation associated with Sumatra squall lines and diurnal rainfall over Borneo is an important weather feature of the Maritime Continent in Southeast Asia. Over the past few decades, biomass burning activities have been widespread during summertime over this region, producing massive fire aerosols. These additional aerosols, when brought into the atmosphere, besides influencing the local radiation budget through directly scattering and absorbing sunlight, can also act as cloud condensation nuclei or ice nuclei to alter convective clouds and precipitation over the Maritime Continent via so-called aerosol indirect effects. Based on 4-month simulations with or without biomass burning aerosols, conducted using theWeather Research and Forecasting model coupled with a chemistry module (WRFChem), we have investigated the aerosol–cloud interactions associated with biomass burning aerosols over the Maritime Continent. Results from selected cases of convective events have specifically shown the significant impact of fire aerosols on weak convections by their increasing of the quantities of hydrometeors and rainfall in both the Sumatra and Borneo regions. Statistical analysis over the fire season also suggests that fire aerosols have impacts on the nocturnal convections associated with the local anticyclonic circulation in western Borneo and weaken nocturnal rainfall intensity by about 9 %. Such an effect is likely to have come from the near-surface heating due to absorbing aerosols emitted from fires, which could weaken land breezes and thus the convergence of anticyclonic circulation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

A finite element formulation for deformation twinning induced strain localization in polycrystal magnesium alloys

Deformation twinning induces shear strain localization in hexagonal close-packed crystals and is critical for the material’s ductility and failure. Cracks often occur at twin-twin or twin-grain boundary intersections and propagate along twin bands. However, most crystal plasticity models for deformation twinning are based on a “pseudo-slip” approach and do not capture the localized deformation associated with the formation of each discrete twin band. The few exceptions are discrete twin models that involve very complex numerical algorithms and are often compromised in accuracy due to the numerical convergence. These factors make the discrete twin models hard to adopt. This paper proposes a modification to the conventional finite element weak form, to fully incorporate a twin-induced heterogeneous deformation that does not depend on the “pseudo-slip” assumption. The model starts by splitting the deformation gradient into elastic-slip-twinning components. The twin-induced deformation gradient component is computed separately by solving a microstructural evolution problem and then implemented into finite element weak form by constructing a global “twin-force” vector. The constitutive update (e.g., in the user-defined material subroutine, or UMAT, for ABAQUS) therefore avoids dealing with the twinning and recovers to the form of a regular slip-based crystal plasticity model. The results presented here indicate that the twin-induced strain localization and the associated stress-reversal phenomena near the twin band were naturally captured in the model, which was validated against an in-situ synchrotron X-ray micro-diffraction experiment.

36 MATERIALS SCIENCE↗

NASA NTRS1994

Wavelets, period-doubling, and time-frequency localization with application to organization of convection over the tropical western Pacific

In this paper, preliminary results in using orthogonal and continuous wavelet transform (WT) to identify period doubling and time-frequency localization in both synthetic and real data are presented. First, the Haar WT is applied to synthetic time series derived from a simple nonlinear dynamical system- a first-order quadratic difference equation. Second, the complex Morlet WT is used to study the time-frequency localization of tropical convection based on a high-resolution Japanese Geostationary Meteorological Satellite infrared (IR) radiance dataset. The Haar WT of the synthetic time series indicates the presence and distinct separation of multiple frequencies in a period-doubling sequence. The period-doubling process generates a multiplicity of intermediate frequencies, which are manifested in the nonuniformity in time with respect to the phase of oscillations in the lower frequencies. Wavelet transform also enables the detection of extremely weak signals in high-order subharmonics resulting from the period-doubling bifurcations. These signals are either undetected or considered statistically insignificant by traditional Fourier analysis. The Morlet WT of the IR radiance dataset indicates the presence of multiple timescales, which are localized in both frequency and time. There are two regimes in the variation of IR radiance, corresponding to the wet and dry periods. Multiple timescales, ranging from semidiurnal, diurnal, synoptic, to intraseasonal with embedding structures, are active in the wet regime. In particular, synoptic variability is more prominent during the wet phase of an intensive intraseasonal cycle. These are not only consistent with, but also show more details than, previous findings by using other techniques. The phase-locking relationships among the oscillations with different time-scales suggest that both synoptic and intraseasonal variations may be mixed oscillations due to the interaction of self-excited oscillations in the tropical atmosphere and external forcings such as annual and diurnal solar radiation variations. Both examples show that WT is a powerful tool for analysis of phenomena involving multiscale interactions that exhibit localization in both frequency and time. A discussion on the caveats in the use of WT in geophysical data analysis is also presented.

Weng, Hengyi↗

DOE OSTI2021

Isogeometric Bézier dual mortaring: The Kirchhoff–Love shell problem

Here in this paper we develop an isogeometric Bézier dual mortar method for coupling multi-patch Kirchhoff–Love shell structures. The proposed approach weakly enforces the continuity of the solution at patch interfaces through a dual mortar method and can be applied to both conforming and non-conforming discretizations. As the employed dual basis functions have local supports and satisfy the biorthogonality property, the resulting stiffness matrix is sparse. In addition, the coupling accuracy is optimal because the dual basis possesses the polynomial reproduction property. We also formulate the continuity constraints through the Rodrigues’ rotation operator which gives a unified framework for coupling patches that are intersected with G 1 continuity as well as patches that meet at a kink. Several linear and nonlinear examples demonstrated the performance and robustness of the proposed coupling techniques.

42 ENGINEERING↗

DOE OSTI2020

Improving the picture of atomic structure in nonoriented polymer domains using the pair distribution function: A study of polyamide 6

Abstract Investigations of the atomic structures within polyamides started over 80 years ago and continue today. These weakly ordered materials diffract X‐rays poorly and typically require postprocessing to obtain idealized samples for structural studies. An important goal remains to develop techniques to study the local structure in its natural state, with atomic resolution, and with sensitivity to subtle changes due to synthesis conditions or other technologically relevant processing procedures. Here, we compare the structures of as‐produced, nonoriented polyamide 6 ([C 6 H 11 NO] n ) from both hydrolytic and anionic processes. A total scattering pair distribution function approach is used to elucidate information about the atomic bonding, molecular conformation, chain packing, crystallite size, and ratio of ordered to disordered domain content. The results are compared with those from standard analytical methods.

Terban, Maxwell W.↗

DOE OSTI2026

Nanomolar Sensitivity Chirality Transfer from Designed Helical Repeat Proteins to Achiral CdS Nanorods

Bridging chirality across length scales with inorganic− organic hybrid materials is a rapidly expanding area of research. Here, we establish asymmetry at CdS nanorod (NR) interfaces using a designed helical repeat protein bearing four cysteine residues (DHR- 4Cys). Hydrophobic NRs are transferred into water with glycine, and then glycine is displaced by DHR-4Cys, leveraging the thiophilicity of cadmium. Circular dichroism (CD) in the visible, coincident with CdS electronic transitions, reveals a chiral DHR-4Cys:CdS interface. Here, the dissymmetry factor [g-factor = 4.5 × 10 −4 (short NRs) and 5.0 × 10 −4 (long NRs)] is weakly dependent on the NR length, and CD persists at nanomolar protein loadings. Additionally, control experiments demonstrate that DHR-4Cys:CdS NR chirality is dictated by the local coordination of Cys with no significant contribution from the chiral secondary structure of the protein (g-factors of short and long Cys:CdS NRs are 4.8 × 10 −4 and 4.0 × 10 −4 , respectively). Together with far-UV CD and transmission electron microscopy, which provide evidence of preserved protein structure, these results provide the first demonstration that a structurally defined protein can induce chirality in CdS nanocrystals while maintaining protein structure at biologically relevant concentrations.

Cadmium sulfide↗

DOE OSTI2023

Relevance of structural defects to the mechanism of mechanical deformation in metallic glasses

Abstract It is known that deformation in disordered materials such as metallic glasses and supercooled liquids occurs via the cooperative rearrangement of atoms or constituent particles at dynamical heterogeneities, commonly regarded as point-like defects. We show via molecular-dynamics simulations that there is no apparent relationship between atomic rearrangements and the local atomic environment as measured by the atomic-level stresses, kinetic and potential energies, and the per-atom Voronoi volume. In addition, there is only a weak correlation between atomic rearrangements and the largest and smallest eigenvalues of the dynamical matrix. Our results confirm the transient nature of dynamical heterogeneities and suggest that the notion of defects may be less relevant than that of a propensity for rearrangement.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Facile and dynamic cleavage of every iron–sulfide bond in cuboidal iron–sulfur clusters

Nature employs weak-field metalloclusters to support a wide range of biological processes. The most ubiquitous metalloclusters are the cuboidal Fe–S clusters, which are comprised of Fe sites with locally high-spin electronic configurations. Such configurations enhance rates of ligand exchange and imbue the clusters with a degree of structural plasticity that is increasingly thought to be functionally relevant. Here, we examine this phenomenon using isotope tracing experiments. Specifically, we demonstrate that synthetic [Fe 4 S 4 ] and [MoFe 3 S 4 ] clusters exchange their Fe atoms with Fe 2+ ions dissolved in solution, a process that involves the reversible cleavage and reformation of every Fe–S bond in the cluster core. This exchange is facile—in most cases occurring at room temperature on the timescale of minutes—and documented over a range of cluster core oxidation states and terminal ligation patterns. In addition to suggesting a highly dynamic picture of cluster structure, these results provide a method for isotopically labeling pre-formed clusters with spin-active nuclei, such as 57 Fe. Such a protocol is demonstrated for the radical S -adenosyl- l -methionine enzyme, RlmN.

Science & Technology - Other Topics↗