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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Quantized Grain Boundary States Promote Nanoparticle Alignment During Imperfect Oriented Attachment

Oriented attachment (OA) has become a well-recognized mechanism for the growth of metal, ceramic, and biomineral crystals. While many computational and experimental studies of OA have shown that particles can attach with some misorientation then rotate to remove adjoining grain boundaries, the underlying atomistic pathways for this “Imperfect OA” process remain the subject of debate. In this paper, molecular dynamics and in situ TEM were used to probe the crystallographic evolution of up to 30 gold and copper nanoparticles during aggregation. It was found that Imperfect OA occurs because (1) grain boundaries become quantized when their size is comparable to the separation between constituent dislocations and (2) kinetic barriers associated with the glide of grain boundary dislocations are small. In support of these findings, TEM experiments show the formation of a single crystal aggregate after annealing 9 initially misoriented, agglomerated particles with evidence of dislocation slip and twin formation during particle/grain alignment. These observations motivate future work on assembled nanocrystals with tailored defects and call for a revision of Read-Shockley models for grain boundary energies in nanocrystalline materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A Comparison of Solid Electrolyte Interphase Formation and Evolution on Highly Oriented Pyrolytic and Disordered Graphite Negative Electrodes in Lithium–Ion Batteries

The presence and stability of solid electrolyte interphase (SEI) on graphitic electrodes is vital to the performance of lithium-ion batteries (LIBs). However, the formation and evolution of SEI remain the least understood area in LIBs due to its dynamic nature, complexity in chemical composition, heterogeneity in morphology, as well as lack of reliable in situ/operando techniques for accurate characterization. In addition, chemical composition and morphology of SEI are not only affected by the choice of electrolyte, but also by the nature of the electrode surface. While introduction of defects into graphitic electrodes has promoted their electrochemical properties, how such structural defects influence SEI formation and evolution remains an open question. In this work, utilizing nondestructive operando electrochemical atomic force microscopy (EChem-AFM) the dynamic SEI formation and evolution on a pair of representative graphitic materials with and without defects, namely, highly oriented pyrolytic and disordered graphite electrodes, are systematically monitored and compared. Complementary to the characterization of SEI topographical and mechanical changes during electrochemical cycling by EChem-AFM, chemical analysis and theoretical calculations are conducted to provide mechanistic insights underlying SEI formation and evolution. The results provide guidance to engineer functional SEIs through design of carbon materials with defects for LIBs and beyond.

25 ENERGY STORAGE↗
DOE OSTI2024

Automatic Digitization and Orientation of Scanned Mesh Data for Floor Plan and 3D Model Generation

This paper describes a novel approach for generating accurate floor plans and 3D models of building interiors using scanned mesh data. Unlike previous methods, which begin with a high resolution point cloud from a laser range-finder, our approach begins with triangle mesh data, as from a Microsoft HoloLens. It generates two types of floor plans, a “pen-and-ink” style that preserves details and a drafting-style that reduces clutter. It processes the 3D model for use in applications by aligning it with coordinate axes, annotating important objects, dividing it into stories, and removing the ceiling. Its performance is evaluated on commercial and residential buildings, with experiments to assess quality and dimensional accuracy. Our approach demonstrates promising potential for automatic digitization and orientation of scanned mesh data, enabling floor plan and 3D model generation in various applications such as navigation, interior design, furniture placement, facilities management, building construction, and HVAC design.

Sharma, Ritesh↗
DOE OSTI2025

Orientation reversal and the Chern-Simons natural boundary

We show that the fundamental property of preservation of relations, underlying resurgent analysis, provides a new perspective on crossing a natural boundary, an important general problem in theoretical and mathematical physics. This reveals a deeper rigidity aspect of resurgence in a quantum field theory path integral. The physical context here is the non-perturbative completion of complex Chern-Simons theory that associates to a 3-manifold a collection of q-series invariants labeled by Spinc structures, for which crossing the natural boundary corresponds to orientation reversal of the 3-manifold. Our new resurgent perspective leads to a practical numerical algorithm that generates q-series which are dual to unary q-series composed of false theta functions. Until recently, these duals were only known in a limited number of cases, essentially based on Ramanujan’s mock theta functions, and the common belief was that the duals might not even exist in the general case. Resurgence analysis identifies as primary objects Mordell integrals: up to changes of variables, they are Laplace transforms of resurgent functions. Their unique Borel summed transseries decomposition on either side of the Stokes line is simply the unique decomposition into real and imaginary parts. In turn, the latter are combinations of unary q-series in terms of q and its modular counterpart $\overset{\sim }{q}$ , and are resurgent by construction. The Mordell integral is analytic across the natural boundary of the q and $\overset{\sim }{q}$ series, and uniqueness of a similar decomposition which preserves algebraic relations on the other side of the boundary defines the unique boundary crossing of the q series. We demonstrate that this continuation can be efficiently implemented numerically. In the cases where unique mock modular identities are known, they are found by this numerical procedure, but the procedure can go well beyond the known list of identities. A particularly interesting feature of the resurgent approach is that it reveals new aspects, and is very different from other known approaches based on indefinite theta series, Appell-Lerch sums, and representation theory of logarithmic vertex operator algebras.

Chern-Simons theories↗
DOE OSTI2019

Dot tracking methodology for background-oriented schlieren (BOS)

We propose here a dot tracking methodology for processing background-oriented schlieren (BOS) images. The technique improves the accuracy, precision and spatial resolution compared to conventional cross-correlation algorithms. Our methodology utilizes the prior information about the dot pattern such as the location, size and number of dots to provide near 100% yield even for high dot densities (20 dots/32 × 32 pixels) and is robust to image noise. Furthermore, we propose an improvement to the displacement estimation step in the tracking process, especially for noisy images, using a “correlation correction”, whereby we combine the spatial resolution benefit of the tracking method and the smoothing property of the correlation method to increase the dynamic range of the overall measurement process. We evaluate the performance of the method with synthetic BOS images of buoyancy-driven turbulence rendered using ray-tracing simulations, and experimental images of flow in the exit plane of a converging–diverging nozzle. The results show that the improved spatial resolution results in a better accuracy of the tracking method compared to correlation-based methods in regions with sharp displacement gradients, and the correlation correction step reduces the noise floor of the measurement, resulting in a fourfold improvement in the dynamic range.

42 ENGINEERING↗
DOE OSTI2020

Uncertainty amplification due to density/refractive index gradients in background-oriented schlieren experiments

Here, we theoretically analyze the effect of density/refractive index gradients on the measurement precision of background-oriented schlieren (BOS) experiments by deriving the Cramer–Rao lower bound (CRLB) for the 2D centroid estimation process. A model is derived for the diffraction limited image of a dot viewed through a medium containing density gradients that includes the effect of the experimental parameters such as the magnification and f-number. It is shown using the model that nonlinearities in the density gradient field lead to blurring of the dot image. This blurring amplifies the effect of image noise on the centroid estimation process, leading to an increase in the CRLB and a decrease in the measurement precision. The ratio of position uncertainties of a dot in the reference and gradient images is shown to be a function of the ratio of the dot diameters and dot intensities. We termed this parameter the amplification ratio (A F ), and a methodology for reporting position uncertainties in tracking-based BOS measurements is proposed. The theoretical predictions of the dot position estimation variance from the CRLB are compared to ray tracing simulations, and agreement is obtained. The uncertainty amplification is also demonstrated on experimental BOS images of flow induced by a spark discharge, where it is seen that regions of high amplification ratio correspond to regions of density gradients. This analysis elucidates the dependence of the position uncertainty on density and refractive index gradient-induced distortion parameters, provides a methodology for accounting its effect on uncertainty quantification and provides a framework for optimizing experiment design.

42 ENGINEERING↗
DOE OSTI2020

Uncertainty-based weighted least squares density integration for background-oriented schlieren

We propose an improved density integration methodology for Background-Oriented Schlieren (BOS) measurements that overcomes the noise sensitivity of the commonly used Poisson solver. Here, the method employs a weighted least-squares (WLS) optimization of the 2D integration of the density gradient field by solving an over-determined system of equations. Weights are assigned to the grid points based on density gradient uncertainties to ensure that a less reliable measurement point has less effect on the integration procedure. Synthetic image analysis with a Gaussian density field shows that WLS constrains the propagation of random error and reduces it by 80% in comparison to Poisson for the highest noise level. Using WLS with experimental BOS measurements of flow induced by a spark plasma discharge shows a 30% reduction in density uncertainty in comparison to Poisson, thereby increasing the overall precision of the BOS density measurements.

42 ENGINEERING↗
DOE OSTI2026

Microfibril orientation and compositional heterogeneity in fiber and vessel cell walls of poplar xylem studied by AFM-IR and SFG spectroscopy

Understanding the structural organization of cellulose microfibrils (CMFs) within individual plant cell walls is essential for connecting cell wall architecture to its mechanical and physiological functions. However, due to the complex hierarchical structure and nanoscale heterogeneity of cell walls, it remains technically challenging to resolve detailed compositional and orientational information at subcellular levels of individual cell walls. This study investigates the internal 3D structure, chemical composition, and sublayer organization of fiber and vessel cell walls in the xylem tissue of a two-year-old field-grown hybrid poplar tree (Populus alba × P. glandulosa) using photothermal atomic force microscopy coupled with infrared spectroscopy (AFM-IR) and sum frequency generation (SFG) hyperspectral microscopy. AFM-IR provided nanoscale chemical imaging, revealing localized compositional heterogeneity, including variations between adjacent cell walls and transitional layers beyond the traditional S1, S2, and S3 sublayers. SFG microscopy revealed that CMFs in fiber walls are highly aligned along the stem axis, consistent with their role in mechanical support, while vessel cell walls exhibited slightly tilted CMFs, reflecting their function in hydraulic transport. Together, these results offer new insights into cell-type-specific CMF organization and compositional gradients in hybrid poplar xylem. These findings highlight the structural and chemical complexity of secondary cell walls in woody plants and demonstrate the value of AFM-IR and SFG spectroscopy in elucidating plant cell wall architecture.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Matrix polysaccharides affect preferred orientation of cellulose crystals in primary cell walls

The spatial organization and interactions of constituent components influence cell growth and determine physical and chemical properties of the cell wall, including its rigidity, flexibility, and degradability. Elucidating the interactions between cell wall polysaccharides is crucial for advancing our knowledge of how cell walls are assembled and for designing approaches to efficiently break down cell walls to produce renewable energy and biomaterials. Here, we investigated the effect of defects in the biosynthesis of cell wall components on the nanoscale organization of cellulose in primary cell walls through grazing incidence wide angle X-ray scattering (GIWAXS) measurements of hypocotyls of wild type Arabidopsis thaliana and of cellulose, pectin, and xyloglucan (hemicellulose) deficient mutants. GIWAXS reveals changes in lattice spacings, coherence lengths, and relative crystalline content for cellulose between wild type and mutant plants. In addition, X-ray pole figures constructed using GIWAXS and X-ray diffraction (XRD) rocking scans quantify an emerging measure of cellulose organization, the degree of preferred orientation (texture) of cellulose crystals with respect to the cell wall plane. Comparing X-ray pole figures from pectin-deficient and xyloglucan-deficient mutants to that of wild type plants reveals that cellulose texture is disrupted in pectin-deficient mutants, but not in xyloglucan mutants. Furthermore, our results indicate that a deficiency of pectin during cell wall biosynthesis alters cellulose organization in plant cell walls.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Structure and Magnetic Properties of Graded (001)-Oriented FePt Films Prepared by Magnetron Sputtering and Rapid Thermal Annealing

L1{sub 0}-FePt/[Fe/Pt]{sub 27} multilayer films were prepared on (100)-oriented single-crystal MgO substrates. Structural analysis indicates epitaxial growth of the L1{sub 0}-FePt films during high-temperature deposition. The room-temperature-deposited [Fe/Pt]{sub 27} multilayer exhibits the fcc-FePt structure grown epitaxially on the L1{sub 0}-FePt base layer. The degree of chemical order and thereby the anisotropy of the top layer has been controlled by varying the temperature of a post-deposition annealing process. Compared with the as-deposited films, coercivities of the films annealed below 400 {sup ∘}C are substantially decreased by introducing the formation of a graded anisotropy in the partially ordered top layer. Coercivities decrease for annealing temperatures that are greater than 400 {sup ∘}C due to improved ordering of the top layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effects of Laser-Cutting and Spark Erosion Techniques and Heat Treatment on the Magnetic Properties of Grain-Oriented Transformer Steels

Spark erosion and laser-cutting processes were examined in terms of their effects on the magnetic properties of grain-oriented electrical steels at working frequencies. The maximum permeability value in each case was considered a reference to determine the quantitative effect of cutting and eroding methods as well as the effects of heat treatment. To minimize the deterioration that appears after the piercing process is implemented, the specimens were subjected to heat treatment at the most appropriate temperature. The influence of stress-relief annealing could be observed throughout the domain refinement on the surface by using magneto-optical Kerr microscopy. Additionally, it was clearly seen that the domain contrast at the cut edge of the spark-eroded sample was more uniform than that provided by laser cutting upon applying a high AC-field amplitude.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

A Note on Truncated Long-Range Percolation with Heavy Tails on Oriented Graphs

We consider oriented long-range percolation on a graph with vertex set ℤ{sup d}×ℤ{sub +} and directed edges of the form 〈(x,t),(x+y,t+1)〉, for x, y in ℤ{sup d} and t∈ℤ{sub +}. Any edge of this form is open with probability p{sub y}, independently for all edges. Under the assumption that the values p{sub y} do not vanish at infinity, we show that there is percolation even if all edges of length more than k are deleted, for k large enough. We also state the analogous result for a long-range contact process on ℤ{sup d}.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Hyperscaling for Oriented Percolation in 1+1 Space–Time Dimensions

Consider nearest-neighbor oriented percolation in d+1 space–time dimensions. Let ρ,η,ν be the critical exponents for the survival probability up to time t, the expected number of vertices at time t connected from the space–time origin, and the gyration radius of those vertices, respectively. We prove that the hyperscaling inequality dν≥η+2ρ, which holds for all d≥1 and is a strict inequality above the upper-critical dimension 4, becomes an equality for d=1, i.e., ν=η+2ρ, provided existence of at least two among ρ,η,ν. The key to the proof is the recent result on the critical box-crossing property by Duminil-Copin et al. [6].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

The Central Limit Theorem for Supercritical Oriented Percolation in Two Dimensions

We consider the cardinality of supercritical oriented bond percolation in two dimensions. We show that, whenever the the origin is conditioned to percolate, the process appropriately normalized converges asymptotically in distribution to the standard normal law. This resolves a longstanding open problem pointed out to in several instances in the literature. The result applies also to the continuous-time analog of the process, viz. the basic one-dimensional contact process. We also derive general random-indices central limit theorems for associated random variables as byproducts of our proof.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Parametric reduced-order modeling for component-oriented treatment and localized nonlinear feature inclusion

Abstract We propose coupling a physics-based reduction framework with a suited response decomposition technique to derive a component-oriented reduction (COR) approach, which is suitable for assembly systems featuring localized nonlinearities. Dependencies on influencing parameters are injected into the reduced-order model (ROM), thus ensuring robustness and validity over a domain of parametric inputs, while capturing nonlinear effects. The implemented approach employs individual component modes to capture localized features while additionally relying on reduced modes of a global nature to approximate the system’s dynamics accurately. The global modes are derived from a linear monolithic system, defined as a result of a coordinate separation scheme, which permits the proposed COR-ROM to naturally couple the response between linear and nonlinear subdomains. The derived low-order representation utilizes a proper orthogonal decomposition projection and is additionally reinforced with the inclusion of a hyper-reduction technique to capture the underlying high-fidelity model response while providing accelerated computations. The resulting approach is exemplified in the synthetic case studies of a four-story shear frame with multiple nonlinear regions driven by hysteresis and a large-scale kingpin connection featuring plasticity.

Vlachas, Konstantinos (ORCID:000000029124219X)↗
DOE OSTI2018

Ferromagnetism and Persistent Currents in Finely Dispersed Highly Oriented Pyrolytic Graphite Samples

Synthesis of finely dispersed graphite powders is described and results of their investigations by the methods of electron microscopy and magnetometry are presented. The samples have been prepared from crystal highly oriented pyrolytic graphite by grinding in an inert atmosphere for a long time with subsequent annealing at 400°C for 24 h in air or in vacuum. It is demonstrated that annealing of the powder in vacuum leads to a considerable increase in the ferromagnetic component associated with the formation of edge defects of zigzag type. The phenomenon of magnetic flux trapping is manifested in the samples annealed both in air and in vacuum upon cooling down to 10 K in a magnetic field that is indicative of the formation of superconducting regions in the samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Evolution of Non-metallic Inclusions and Precipitates in Oriented Silicon Steel

The evolution of inclusions in oriented silicon steel during the manufacturing process was carried out by chemical composition analysis, non-aqueous electrolytic corrosion, and thermodynamic calculation. The morphology, composition, and size of inclusions were analyzed introducing field emission scanning electron microscope. The oxides were mainly formed during the secondary refining, and the nitrides, sulfides, and compounds were formed during the solidification and cooling of steel in the processes of continuous casting and hot rolling.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Influence of Temperature on the Texture Distribution in Two-Phase Region Hot Deformation of Grain-Oriented Silicon Steel

Hot deformation simulation test of 3% Si grain-oriented silicon (CGO) steel was carried out at different temperatures, and evolution of microstructures and recrystallized textures in two-phase region was analyzed by electron backscatter diffraction and optical microscopy. The “δ → γ” and “γ → α” phase transformation points of the two-phase region measured by differential scanning calorimetry method are 1272 and 819 °C, respectively, which are within the ranges of 1300-1350 and 800-850 °C, measured by water quenching. The hot deformation temperature has a large effect on the microstructure and texture in the steel. A higher hot deformation temperature leads to higher degree of recrystallization and larger average grain size, more γ-fiber textures and cube {100} <001> texture, but the rotated cube {100} <011> texture is stable. The recrystallized microstructure was also affected by the phase compositions. While the cube {100} <001> texture results in typical austenite recrystallization texture, {111} textures lead to typical ferrite rolling textures.

36 MATERIALS SCIENCE↗