Results for “ordering transformation” — Page 37

DOE OSTI2023

Liquid Phase Exfoliation of Chemically Prelithiated Bilayered Vanadium Oxide in Aqueous Media for Li-Ion Batteries

Bilayered vanadium oxides are attractive for energy storage due to their high initial specific capacities, which could be stabilized by integrating the bilayers with conductive nanoflakes often produced in a form of aqueous dispersions. Therefore, exfoliation of the bilayered vanadium oxides in water with high yield is desirable. Here, this work introduces the first aqueous exfoliation of chemically prelithiated bilayered vanadium oxide (i.e., δ-Li x V 2 O 5 ·nH 2 O or LVO) followed by vacuum filtration to produce a free-standing film, exhibiting a lamellar stacking of the bilayered vanadium oxide nanoflakes as evidenced by scanning electron microscopy. Due to the hydrated nature of bilayered vanadium oxides, the relationship between interlayer water content and the vacuum drying temperature (105 °C vs 200 °C) was studied using X-ray diffraction, thermogravimetric analysis, and Raman spectroscopy. It was found that vacuum drying the LVO nanoflakes at 200 °C enabled more efficient removal of crystallographic water than drying at 105 °C, and did not induce a phase transformation. Scanning transmission electron microscopy confirmed the layered structure of the samples, which was more well-ordered in the 200 °C case and had no clear boundaries between flakes at the atomic scale. Furthermore, electrochemical testing in nonaqueous Li-ion cells revealed that vacuum drying at 200 °C led to improvements in ion storage capacity and electrochemical stability. Improvements in electrochemical charge storage properties of the electrodes obtained via LVO exfoliation and free-standing film assembly in water dried at 200 °C reveal that conventional battery electrode drying protocols need to be revised as new electrochemically active materials are synthesized, such as hydrated layered oxides with expanded interlayer regions. The remaining capacity fading can be attributed to the structural LVO degradation, dissolution of vanadium oxide in electrolyte, and parasitic effects of the remaining interlayer water molecules. Our results establish an environmentally friendly and safe approach to obtain two-dimensional (2D) bilayered vanadium oxide nanoflakes and create a pathway to constructing novel 2D heterostructures for improved performance in energy storage applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Photosynthetically-powered phototactic active nematic liquid crystal fluids and gels

Abstract One of the most ancient forms of life dating to ~3.5 billion years ago, cyanobacteria are highly abundant organisms that convert light into energy and motion, often within conjoined filaments and larger colonies that attract a great deal of interest but their active nematic behavior remained unexplored. Here we demonstrate how light causes a spontaneous self-assembly of two- and three-dimensional active nematic states of cyanobacterial filaments, with a plethora of topological defects. We quantify light-controlled evolutions of orientational and velocity order parameters during the transition between disordered and orientationally ordered states of photosynthetic active matter, as well as the subsequent active nematic’s fluid-gel transformation. Patterned illumination and foreign inclusions with different shapes interact with cyanobacterial active nematics in nontrivial ways while inducing interfacial boundary conditions and fractional boojum defects. Our phototactic model system promises opportunities to systematically explore fundamental properties and technological utility of the liquid crystalline active matter.

Repula, Andrii↗

DOE OSTI2020

Interfacial Spin-Orbit Coupling: A Platform for Superconducting Spintronics

Spin-orbit coupling (SOC) is a key interaction in spintronics, allowing electrical control of spin or magnetization and, vice versa, magnetic control of electrical current. However, recent advances have revealed much broader implications of SOC that is also central to the design of topological states with potential applications from low-energy dissipation and faster magnetization switching to high tolerance of disorder. SOC and the resulting emergent interfacial spin-orbit fields are simply realized in junctions through structural inversion asymmetry, while the anisotropy in magnetoresistance (MR) allows their experimental detection. Surprisingly, we demonstrate that an all-epitaxial ferromagnet/MgO/metal junction with a single ferromagnetic region and only negligible MR anisotropy undergoes a remarkable transformation below the superconducting transition temperature of the metal. The superconducting junction has a MR anisotropy 3 orders of magnitude higher and could enable novel applications in superconducting spintronics. In contrast to common realizations of MR effects that require a finite applied magnetic field, our system is designed to have two stable zero-field states with mutually orthogonal magnetizations: in plane and out of plane. This bistable magnetic anisotropy allows us to rule out orbital and vortex effects due to an applied magnetic field and identify the SOC origin of the observed MR. Such MR reaches approximately 20% without an applied magnetic field and could be further increased for large magnetic fields that support vortices. Our findings call for a revisit of the role of SOC, even when it seems negligible in the normal state, and suggest an alternative platform for superconducting spintronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Methane Activation on Cu Containing Zeolite Catalysts (Final Report)

In order to increase the value of the light alkane ethane found in shale gas, we investigated the transformation of ethane into ethylene and aromatic hydrocarbons using zinc-containing microporous catalysts. We investigated the kinetics of the reaction, and identified various active sites for the ethane dehydrogenation and aromatization. In addition, we investigated iron-containing zeolites, as catalysts for the addition of methyl groups to small olefins containing 2, 3 and 4 carbon molecules. We determined the reaction mechanism, the identity of the active site, and details of the reaction kinetics. We concluded that the use of iron zeolites is very promising to upgrade small olefins (2-4 carbon species) into larger olefins (4-7 carbon species) that are more valuable as fuels and as petrochemical products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Systematic Study of the Self-Renormalized Nucleon Gluon PDF in Large-Momentum Effective Theory

We present a systematic study of the nucleon gluon parton distribution function (PDF) using the self-renormalized large-momentum effective theory (LaMET) approach in lattice QCD. This work extends previous gluon-PDF extractions by performing a detailed analysis of key systematic effects, including gauge-link smearing, lattice spacing, pion mass, and nucleon boost momentum. The self-renormalization framework mitigates ultraviolet divergences associated with Wilson-line self-energy and renormalon contributions by combining lattice matrix elements with perturbative short-distance information, thereby preserving the correct infrared structure. Calculations are performed on $N_f=2+1+1$ HISQ ensembles generated by the MILC Collaboration at three lattice spacings and two pion masses, with boosted nucleon states reaching momenta up to 2.2~GeV. We determine renormalization factors from zero-momentum matrix elements and apply hybrid renormalization to suppress discretization artifacts. After extrapolating large-separation behavior and performing Fourier transforms, we reconstruct quasi-PDFs and match them to lightcone PDFs using next-to-leading order Wilson coefficients. Our results demonstrate that smearing and lattice-spacing effects are under control, and pion-mass and lattice-spacing dependence is mild relative to the current $O(10^6)$ statistics; however, momentum dependence remains a significant source of uncertainty. Future work including even larger boost momenta will be essential to reduce systematics in lattice determinations of the gluon PDF and to advance toward precision QCD phenomenology at the LHC and the future Electron-Ion Collider.

FOS: Physical sciences↗

NASA NTRS1972

SYMAT, COVAR: Test Procedures for Matrix Calculations

The FORTRAN subroutine SYMAT and related subroutines are described. In essence SYMAT is an iterative algorithm in which the problem of finding eigenvalues and eigenvectors of a real symmetric matrix is transformed into an equivalent problem of finding eigenvalues and eigenvectors of an infinite sequence of matrices of order two. A DEMO PROGRAM contains a subroutine COVAR which is used to compute the covariance matrix (denoted by A) of a data matrix (denoted by X). Since a covariance matrix is symmetric it can be analyzed by using subroutine SYMAT.

Morris, W. L.↗

NASA NTRS1976

Phase transformation and stabilization of a high strength austenite

An investigation of the phase transformation and the austenite stabilization in a high strength austenite has been made. An Fe-29Ni-4.3Ti austenite age-hardened by gamma-prime (Ni3Ti) precipitates showed a further increase of strength after martensitic and reverse martensitic phase transformations. The stability of ausaged austenite as well as ausaged and transformation-strengthened austenite was improved significantly through an isothermal treatment at 500 C. The Ms temperature of the strengthened austenite was restored to nearly that of annealed austenite while the austenite was hardened to R(C) 41 through precipitation and phase transformations. The observed austenite stabilization is attributed to the formation of GP zones or short-range order of less than about 10A in size.

Jin, S.↗

NASA NTRS1982

MAGSAT and aeromagnetic data of the continental US

The MAGSAT data were used to produce a scalar anomaly map of the U.S. In order to remove the east-west striping anomalies, which are believed to be caused by the low-order polynomials used to reduce the orbital bias errors, a 2-D spectral filtering using the Fourier transform method was applied. The resultant low-pass filtered map, with the east-west stripings removed, resembles much closer the surface aeromagnetic map based on the U.S. MAGNET data. The spectral filtering was also applied to the MAGSAT vector data. Department of Defense gravity data was processed to produce a filtered U.S. gravity map whose spectral contents are comparable to those of the MAGSAT magnetic map.

Won, I. J.↗

NASA NTRS1981

Simplified robot arm dynamics for control

A brief summary and evaluation is presented on the use of symbolic state equation techniques in order to represent robot arm dynamics with sufficient accuracy for controlling arm motion. The use of homogeneous transformations and the Lagrangian formulation of mechanics offers a convenient frame for the derivation, analysis and simplification of complex robot dynamics equations. It is pointed out that simplified state equations can represent robot arm dynamics with good accuracy.

Bejczy, A. K.↗

NASA NTRS1988

Deflection prediction for serial manipulators

A method of deflection analysis for a general serial manipulator which considers end-effector, gravity, and inertial loads is described. The conceptualized manipulator can have many degrees of freedom and be of the most general geometry. The analysis returns end-effector error based on a quasi-static approach. Thus, small oscillations (due to vibrations) are ignored and the inertial loads are considered applied loads. A kinematic analysis based on geometric influence coefficients is used to obtaining resultant joint loads. A flexibility analysis sufficient to describe general link deformation is performed to yield the local link deformations. These local values are transformed to end-effector deflections through the use of the kinematic influence coefficients as a first order approximation. End-effector deflection due to flexibilities in the joint actuators is addressed. A description of the generalized end-effector spring is presented.

Fresonke, D. A.↗

NASA NTRS1996

Experimental Studies on a Compact Storage Scheme for Wavelet-based Multiresolution Subregion Retrieval

Wavelet transforms, when combined with quantization and a suitable encoding, can be used to compress images effectively. In order to use them for image library systems, a compact storage scheme for quantized coefficient wavelet data must be developed with a support for fast subregion retrieval. We have designed such a scheme and in this paper we provide experimental studies to demonstrate that it achieves good image compression ratios, while providing a natural indexing mechanism that facilitates fast retrieval of portions of the image at various resolutions.

Poulakidas, A.↗

NASA NTRS2005

A Testbed Demonstration of an Intelligent Archive in a Knowledge Building System

The last decade's influx of raw data and derived geophysical parameters from several Earth observing satellites to NASA data centers has created a data-rich environment for Earth science research and applications. While advances in hardware and information management have made it possible to archive petabytes of data and distribute terabytes of data daily to a broad community of users, further progress is necessary in the transformation of data into information, and information into knowledge that can be used in particular applications in order to realize the full potential of these valuable datasets. In examining what is needed to enable this progress in the data provider environment that exists today and is expected to evolve in the next several years, we arrived at the concept of an Intelligent Archive in context of a Knowledge Building System (IA/KBS). Our prior work and associated papers investigated usage scenarios, required capabilities, system architecture, data volume issues, and supporting technologies. We identified six key capabilities of an IA/KBS: Virtual Product Generation, Significant Event Detection, Automated Data Quality Assessment, Large-Scale Data Mining, Dynamic Feedback Loop, and Data Discovery and Efficient Requesting. Among these capabilities, large-scale data mining is perceived by many in the community to be an area of technical risk. One of the main reasons for this is that standard data mining research and algorithms operate on datasets that are several orders of magnitude smaller than the actual sizes of datasets maintained by realistic earth science data archives. Therefore, we defined a test-bed activity to implement a large-scale data mining algorithm in a pseudo-operational scale environment and to examine any issues involved. The application chosen for applying the data mining algorithm is wildfire prediction over the continental U.S. This paper reports a number of observations based on our experience with this test-bed. While proof-of-concept for data mining scalability and utility has been a major goal for the research reported here, it was not the only one. The other five capabilities of an WKBS named above have been considered as well, and an assessment of the implications of our experience for these other areas will also be presented. The lessons learned through the testbed effort and presented in this paper will benefit technologists, scientists, and system operators as they consider introducing IA/KBS capabilities into production systems.

Ramapriyan, Hampapuram↗

NASA NTRS2018

Strategic Center for Networking, Integration, and Communications Orbit Propagation Front-End Software Development

Orbit propagation is fundamental for space-based mission analysis, requiring software tools to predict the time-based positions and velocities of orbiting satellites. Many system analysts currently rely on commercial software, which is effective but expensive. NASA’s Space Communications and Navigation (SCaN) Strategic Center for Networking, Integration, and Communications (SCENIC) project intends to provide these analysis capabilities by using a combination of internal and open-source software, allowing for a greater flexibility while maintaining low costs. Several routines were created to take different forms of user input to translate input into the standard set of orbital elements to be utilized within the current SCENIC analysis capabilities. These inputs range from two-line elements (TLEs) and Cartesian vectors, to coordinate transformations and Walker Delta constellations. These routines will be integrated into the SCENIC user interface (UI) in order to provide greater customization and flexibility for orbit propagation and other dynamic-analysis capabilities.

Kuhl, Nick↗

NASA NTRS2023

BERT-Based Topic Modeling and Information Retrieval to Support Fishbone Diagramming for Safe Integration of Unmanned Aircraft Systems in Wildfire Response

Recent concepts for emerging wildfire response operations have included unmanned aircraft systems (UAS) due to their increasing accessibility and capabilities. To integrate UAS into wildfire response safely, researchers have studied the use of large repositories of historic incident reports to improve the scope of root cause analysis. Recent work has emphasized applying state-of-the-art natural language processing techniques to extract useful information from these repositories. However, it has not yet been studied how these results can be interpreted and integrated into the systems engineering process. In this work, we propose a process in which Bidirectional Encoder Representations from Transformers (BERT)-based topic modeling and information retrieval are applied to a relevant set of documents in order to support the development of a fishbone diagram in a semiautomated process. High-level themes in the document set are identified using topic modeling, which are then refined and interpreted by a human analyst. Then, the themes are used to guide a finer search using information retrieval, which returns specific incident reports of relevance. This provides traceability to specific incidents as well as broader categorizations that comprise the fishbone branches. We apply the proposed process to relevant documents from NASA’s Aviation Safety Reporting System (ASRS). The proposed process is widely applicable when relevant documents are available, and the results from this study will be useful to identifying potential causes of wildfire response UAS incidents.

Hazard analysis↗

NASA NTRSDate not supplied

BERT-based Topic Modeling and Information Retrieval to Support Fishbone Diagramming for Safe Integration of Unmanned Aircraft Systems in Wildfire Response

Recent concepts for emerging wildfire response operations have included unmanned aircraft systems (UAS) due to their increasing accessibility and capabilities. To integrate UAS into wildfire response safely, researchers have studied the use of large repositories of historic incident reports to improve the scope of root cause analysis. Recent work has emphasized applying state-of-the-art natural language processing techniques to extract useful information from these repositories. However, it has not yet been studied how these results can be interpreted and integrated into the systems engineering process. In this work, we propose a process in which Bidirectional Encoder Representations from Transformers (BERT)-based topic modeling and information retrieval are applied to a relevant set of documents in order to support the development of a fishbone diagram in a semiautomated process. High-level themes in the document set are identified using topic modeling, which are then refined and interpreted by a human analyst. Then, the themes are used to guide a finer search using information retrieval, which returns specific incident reports of relevance. This provides traceability to specific incidents as well as broader categorizations that comprise the fishbone branches. We apply the proposed process to relevant documents from NASA’s Aviation Safety Reporting System (ASRS). The proposed process is widely applicable when relevant documents are available, and the results from this study will be useful to identifying potential causes of wildfire response UAS incidents.

hazard analysis↗

NASA NTRSDate not supplied

BERT-based Topic Modeling and Information Retrieval to Support Fishbone Diagramming for Safe Integration of Unmanned Aircraft Systems in Wildfire Response

Recent concepts for emerging wildfire response operations have included unmanned aircraft systems (UAS) due to their increasing accessibility and capabilities. To integrate UAS into wildfire response safely, researchers have studied the use of large repositories of historic incident reports to improve the scope of root cause analysis. Recent work has emphasized applying state-of-the-art natural language processing techniques to extract useful information from these repositories. However, it has not yet been studied how these results can be interpreted and integrated into the systems engineering process. In this work, we propose a process in which Bidirectional Encoder Representations from Transformers (BERT)-based topic modeling and information retrieval are applied to a relevant set of documents in order to support the development of a fishbone diagram in a semiautomated process. High-level themes in the document set are identified using topic modeling, which are then refined and interpreted by a human analyst. Then, the themes are used to guide a finer search using information retrieval, which returns specific incident reports of relevance. This provides traceability to specific incidents as well as broader categorizations that comprise the fishbone branches. We apply the proposed process to relevant documents from NASA’s Aviation Safety Reporting System (ASRS). The proposed process is widely applicable when relevant documents are available, and the results from this study will be useful to identifying potential causes of wildfire response UAS incidents.

hazard analysis↗

DOE OSTI2022

Adaptive clipping‐and‐redistribution algorithms for bounded and conservative high‐order interpolations applied to discontinuous and reactive flows

Abstract A new adaptive clipping‐and‐redistribution method is presented which provides bounds‐preservation for multidimensional interpolation in the context of high‐order finite‐volume discretizations with adaptive mesh refinement (AMR). The underlying finite‐volume method (FVM) for the computational fluid dynamics applications is fourth‐order accurate for smooth solutions and utilizes AMR for computational efficiency in solving multiscale problems involving turbulence and combustion. High‐order interpolation between different AMR levels is required. However, this operation often leads to numerical issues because combustion species must have physical bounds preserved. The present study overcomes two major challenges in the development of the high‐order interpolation method. First, the method needs to be bound‐preserving near extrema or discontinuities to prevent the emergence of unphysical oscillations while maintaining fourth‐order accuracy in smooth flows. Second, the method needs to satisfy the conservation requirement in multiple dimensions, particularly in the context of curvilinear coordinate transformations. Additionally, the method is designed to be localized and computationally inexpensive. The new interpolation scheme is demonstrated by solving reacting flows, which are extremely sensitive to unphysical overshoots in conserved quantities. The test problems are shock‐induced ‐ combustion and a ‐air flame in a practical bluff‐body combustor. Results show the method prevents new extrema near discontinuities while maintaining high‐order accuracy in smooth regions. In particular, the method is extremely beneficial for combustion with stiff chemistry. With the proposed new method, even if flame fronts cross AMR interfaces or new grids are created in the vicinity of the flame, solution stability is retained.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Local structural ordering determines the mechanical damage tolerance of amorphous grain boundary complexions

Amorphous grain boundary complexions act as toughening features within a microstructure because they can absorb dislocations more efficiently than traditional grain boundaries. This toughening effect should be a strong function of the local internal structure of the complexion, which has recently been shown to be determined by grain boundary crystallography. To test this hypothesis, molecular dynamics are used here to simulate dislocation absorption and damage nucleation for complexions with different distributions of structural short-range order. Here, the complexion with a more disordered structure away from the dislocation absorption site is actually found to better resist crack nucleation, as damage tolerance requires delocalized deformation and the operation of shear-transformation zones through the complexion thickness. The more damage tolerant complexion accommodates plastic strain efficiently within the entire complexion, providing the key mechanistic insight that local patterning and asymmetry of structural short-range order controls the toughening effect of amorphous complexions.

36 MATERIALS SCIENCE↗