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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Topology-driven compressive behavior of Inconel 718 lattice structures with Z-strut reinforcement fabricated by laser powder bed fusion

This study investigates the compressive deformation behavior and mechanical performance of Inconel 718 lattice structures fabricated by laser powder bed fusion (LPBF). Four unit-cell topologies—BCC, FCC, BCCZ, and FCCZ—were designed with a unit-cell size of 3 mm and fabricated under identical process conditions to isolate the effect of topology. Measured relative densities ranged from 14.65% to 17.72%. Compressive testing showed that Z-strut-reinforced topologies (BCCZ: 54.6 MPa; FCCZ: 80.2 MPa) exhibited higher strength than their unreinforced counterparts, which may be associated with mixed-mode deformation behavior enabled by the vertically aligned Z-struts. Finite element simulations and Digital Image Correlation (DIC) analysis support the observation of a transition from node-dominated deformation in BCC/FCC to mixed-mode deformation in BCCZ/FCCZ. These findings suggest that unit-cell topology is a key design variable for tailoring deformation mechanisms in LPBF lattice structures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Identifying point defects and ordering in the high-entropy layered oxide Li 1.5 MO 3-δ (M=Mn, Al, Fe, Co, Ni) for energy storage applications

High-entropy layered oxides (HELOs) represent a very promising class of next-generation battery cathodes, combining the well-studied properties of layered cathode materials such as LiCoO 2 with the chemical tunability and stability of high-entropy materials. HELO materials often form particles with complex defects and domain structures, complicating accurate characterization of structure and cation mixing. Understanding disorder and order in HELO materials is necessary for understanding their performance and utility as cathodes. Here we demonstrate the characterization of the HELO Li 1.5 MO 3-δ (M = Mn, Al, Fe, Co, Ni), wherein X-ray powder diffraction, transmission electron microscopy imaging, and electron diffraction patterns are analyzed to reveal the presence of ordering in the HELO, with imaging and diffraction simulation employed to compare experimental results to atomic modeling. Finally, without rigorous characterization at the atomic scale, important features such as defect ordering can be easily overlooked and therefore remain unconsidered when interpreting experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Numerical modeling of impurity powder injection in W7-X

In this work, we present numerical simulation results of powder injection in W7-X using the EMC3-EIRENE and DIS codes. First, we model powder injection experiments performed in W7-X with the Probe Mounted Powder Injector. The simulation results qualitatively agree with visible imaging measurements. Secondly, we perform predictive simulations to guide the installation of an Impurity Powder Dropper in W7-X, allowing to choose in between several available non-vertical ports to maximize the amount of powder penetrating into the plasma, as well as the verticality of the port, to minimize sticking of the powders in the in-vessel stainless steel guiding tube. Port AEM41 is selected as the best candidate for IPD installation. The robustness of the simulation results has been verified for different plasma densities, powder materials and sizes, powder friction coefficient and changes in the plasma flow.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

First-Principles Simulation of Beam-Induced Processes Underlying Atomic Manipulation in Electron Microscopes

The development of experimental methods and apparatuses capable of promoting atomically precise material manipulations holds great promise for realizing the ultimate limit of feature miniaturization in materials and devices. The ability to modify materials atom by atom is anticipated to usher in new technologies in areas as diverse as separation science, medicine, and quantum information science. Historically, scanning probe-based techniques have been the most prominent approaches in this space. However, these methods are best suited for the manipulation of surface-exposed regions of materials, as the strong perturbations required for bond scission are delivered most effectively to atoms in the near-proximity to the scanning probe. In contrast, convergent electron beams with energies tuned slightly below the threshold for inducing irreversible knock-on damage have recently been employed (within scanning transmission electron microscopy) to promote atomic-scale bond rearrangements in various beam-stable solids. Currently, however, the efficiency and selectivity of beam-induced atomic manipulation processes with focused electron beams are such that long irradiation times are required to induce a desired atomic rearrangement. With a better understanding of the underlying physics dictating the outcome of a given irradiation event, methods can be devised to improve the efficiency of these techniques so that their promise can be fully realized through widespread adoption.To this end, this Account details our recent efforts to develop and apply tractable first-principles simulation approaches for studying the response of materials to electric beam-like external electric potentials applied in real space. We briefly review the concepts and capabilities in the area of atomically precise materials manipulation and review the early demonstrations of accomplishments in this area, focusing on studies using scanned convergent electron beam probes in particular. We expound upon the depth of the challenge and identify critical shortcomings of theoretical methods that have previously been employed in the simulation of beam-induced processes. We then describe the computational methods that we have generalized from the concepts and tools most commonly applied to the study of molecular photochemistry and how our adaptations of these methods can be employed to capture the relevant dynamical phenomena for beam-induced processes ranging from the initial electron scattering to the ensuing multistate reactions. Here, we contextualize these methods within the current state of the art in this area, which has historically focused primarily on the simulation of inelastic image formation in the electron microscope for the purpose of interpreting the results of quantitative electron microscopy experiments. We demonstrate that the spatial distribution of state-specific excitation rates due to the presence of an external (probe) electric charge is inhomogeneous, such that irradiation at particular locations in materials can favor specific electronic transitions (and disallow others). In addition to the potential for excited-state reaction pathways to be accessed through the initial inelastic scattering of the tightly focused electron beam from the targeted atoms, we also identify favorable conditions for the electronically nonadiabatic evolution of the highly vibrationally excited system to open complex multistate reaction pathways. Implications of the early results for understanding the mechanisms and potential routes to improved efficiency and selectivity in beam-induced reactions are discussed. We conclude with a summary of the current state of theory and modeling capabilities in this area and provide our perspective on future directions for theoretical and experimental developments that we view as crucial to advancing the use of convergent electron beams in mode-specific, atomically precise platforms for direct-write materials modifications.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Linking synchronization to self-assembly using magnetic Janus colloids

Synchronization occurs widely in the natural and technological worlds, from the rhythm of applause and neuron firing1 to the quantum mechanics of coupled Josephson junctions2, but has not been used to produce new spatial structures. Our understanding of self-assembly has evolved independently in the fields of chemistry and materials, and with a few notable exceptions3,4 has focused on equilibrium rather than dynamical systems. Here we combine these two phenomena to create synchronization-selected microtubes of Janus colloids, micron-sized spherical particles with different surface chemistry on their opposing hemispheres, which we study using imaging and computer simulation. A thin nickel film coats one hemisphere of each silica particle to generate a discoid magnetic symmetry, such that in a precessing magnetic field its dynamics retain crucial phase freedom. Synchronizing their motion, these Janus spheres self-organize into micrometre-scale tubes in which the constituent particles rotate and oscillate continuously. In addition, the microtube must be tidally locked to the particles, that is, the particles must maintain their orientation within the rotating microtube. This requirement leads to a synchronization-induced structural transition that offers various applications based on the potential to form, disintegrate and fine-tune self-assembled in-motion structures in situ. Lastly, it offers a generalizable method of controlling structure using dynamic synchronization criteria rather than static energy minimization, and of designing new field-driven microscale devices in which components do not slavishly follow the external field.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Gravity-driven controls on fluid and carbonate precipitation distributions in fractures

Abstract Many challenges related to carbon-dioxide ( $$\hbox {CO}_2$$ CO 2 ) sequestration in subsurface rock are linked to the injection of fluids through induced or existing fracture networks and how these fluids are altered through geochemical interactions. Here, we demonstrate that fluid mixing and carbonate mineral distributions in fractures are controlled by gravity-driven chemical dynamics. Using optical imaging and numerical simulations, we show that a density contrast between two miscible fluids causes the formation of a low-density fluid runlet that increases in areal extent as the fracture inclination decreases from 90 $$^\circ$$ ∘ (vertical fracture plane) to 30 $$^\circ$$ ∘ . The runlet is sustained over time and the stability of the runlet is controlled by the gravity-driven formation of 3D vortices that arise in a laminar flow regime. When homogeneous precipitation was induced, calcium carbonate covered the entire surface for horizontal fractures (0 $$^\circ$$ ∘ ). However, for fracture inclinations greater than 10 $$^\circ$$ ∘ , the runlet formation limited the areal extent of the precipitation to less than 15% of the fracture surface. These insights suggest that the ability to sequester $$\hbox {CO}_2$$ CO 2 through mineralization along fractures will depend on the fracture orientation relative to gravity, with horizontal fractures more likely to seal uniformly.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

The role of stacking fault tetrahedra on void swelling in irradiated copper

Abstract A long-standing and critical issue in the field of irradiated structural materials is that void swelling is significantly higher in face-centered cubic-structured (fcc) materials (1% dpa −1 ) as compared to that of body-centered cubic-structured (bcc) materials (0.2% dpa −1 ). Despite extensive research in this area, the underlying mechanism of the difference in swelling resistance between these two types of materials is not yet fully understood. Here, by combining atomistic simulations and STEM imaging, we find stacking fault tetrahedra (SFTs) are the primary cause of the high swelling rate in pure fcc copper. We reveal that SFTs in fcc copper are not neutral sinks, different from the conventional knowledge. On the contrary, they are highly biased compared to other types of sinks because of the SFT-point defect interaction mechanism. SFTs show strong absorption of mobile self-interstitial atoms (SIAs) from the faces and vertices, and weak absorption of mobile vacancies from the edges. We compare the predicted swelling rates with experimental findings under varying conditions, demonstrating the distinct contributions of each type of sink. These findings will contribute to understanding the swelling of irradiated structural materials, which may facilitate the design of materials with high swelling resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Laser-induced metallic nanograined thin films processing

A direct laser writing method for designing metallic nanograined thin films is presented. This method takes advantage of photon conversion within a chemical process localized at the focal point. A computer controlled positioning system allows the control of experimental parameters and spatial resolution of the pattern. Spectroscopic investigations reveal variable attenuation of the optical properties in UV-visible range and a spectral imaging processing algorithm simulated the functionality of these films in visible light. This could be an important step for obtaining neutral density attenuators.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Seeking to quantify the ferromagnetic-to-antiferromagnetic interface coupling resulting in exchange bias with various thin-film conformations

Ni{sub 3}Fe/(Ni, Fe)O thin films with bilayer and nanocrystallite dispersion morphologies are prepared with a dual ion beam deposition technique permitting precise control of nanocrystallite growth, composition, and admixtures. A bilayer morphology provides a Ni{sub 3}Fe-to-NiO interface, while the dispersion films have different mixtures of Ni{sub 3}Fe, NiO, and FeO nanocrystallites. Using detailed analyses of high resolution transmission electron microscopy images with Multislice simulations, the nanocrystallites' structures and phases are determined, and the intermixing between the Ni{sub 3}Fe, NiO, and FeO interfaces is quantified. From field-cooled hysteresis loops, the exchange bias loop shift from spin interactions at the interfaces are determined. With similar interfacial molar ratios of FM-to-AF, we find the exchange bias field essentially unchanged. However, when the interfacial ratio of FM to AF was FM rich, the exchange bias field increases. Since the FM/AF interface ‘contact’ areas in the nanocrystallite dispersion films are larger than that of the bilayer film, and the nanocrystallite dispersions exhibit larger FM-to-AF interfacial contributions to the magnetism, we attribute the changes in the exchange bias to be from increases in the interfacial segments that suffer defects (such as vacancies and bond distortions), that also affects the coercive fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Designing of sparse 2D arrays for Lamb wave imaging using coarray concept

2D ultrasonic arrays have considerable application potential in Lamb wave based SHM systems, since they enable equivocal damage imaging and even in some cases wave-mode selection. Recently, it has been shown that the 2D arrays can be used in SHM applications in a synthetic focusing (SF) mode, which is much more effective than the classical phase array mode commonly used in NDT. The SF mode assumes a single element excitation of subsequent transmitters and off-line processing the acquired data. In the simplest implementation of the technique, only single multiplexed input and output channels are required, which results in significant hardware simplification. Application of the SF mode for 2D arrays creates additional degrees of freedom during the design of the array topology, which complicates the array design process, however, it enables sparse array designs with performance similar to that of the fully populated dense arrays. In this paper we present the coarray concept to facilitate synthesis process of an array’s aperture used in the multistatic synthetic focusing approach in Lamb waves-based imaging systems. In the coherent imaging, performed in the transmit/receive mode, the sum coarray is a morphological convolution of the transmit/receive sub-arrays. It can be calculated as the set of sums of the individual sub-arrays’ elements locations. The coarray framework will be presented here using a an example of a star-shaped array. The approach will be discussed in terms of beampatterns of the resulting imaging systems. Both simulated and experimental results will be included.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Multifrequency eddy-current detection of fast transient thermal signatures for in situ monitoring applications

Eddy-current (EC) nondestructive evaluation has a long history of use in a variety of ex situ defect monitoring applications because of its exquisite sensitivity to local material variations. Due to the relationship between a material's conductivity and its temperature, EC methods have also been used to investigate quasistatic, long-range temperature variations in casting applications. However, these techniques remain underutilized for the measurement of rapidly varying, spatially nonuniform temperature distributions. In this work, we construct a model system capable of generating repeatable temperature transients in steel plates and measure real-time eddy-current signals with millisecond time resolution and spatial resolution of the order of 1 mm. Using a combination of Multiphysics simulations, fast thermal imaging, and time-resolved holographic interferometry, we tease apart contributions to the eddy-current signals arising from temperature variations and transient plate deformation. Finally, we perform a systematic study in which we vary the plate thickness and the eddy-current excitation frequency to demonstrate that eddy-current techniques can provide information about a three-dimensional, time-varying, subsurface thermal distribution, which is inaccessible to the traditional thermal imaging techniques.

Rosenberg, Ethan R. [Lawrence Livermore National L↗
DOE OSTI2016

Geometry induced sequence of nanoscale Frank–Kasper and quasicrystal mesophases in giant surfactants

Frank–Kasper (F-K) and quasicrystal phases were originally identified in metal alloys and only sporadically reported in soft materials. These unconventional sphere-packing schemes open up possibilities to design materials with different properties. The challenge in soft materials is how to correlate complex phases built from spheres with the tunable parameters of chemical composition and molecular architecture. Here, we report a complete sequence of various highly ordered mesophases by the self-assembly of specifically designed and synthesized giant surfactants, which are conjugates of hydrophilic polyhedral oligomeric silsesquioxane cages tethered with hydrophobic polystyrene tails. We show that the occurrence of these mesophases results from nanophase separation between the heads and tails and thus is critically dependent on molecular geometry. Variations in molecular geometry achieved by changing the number of tails from one to four not only shift compositional phase boundaries but also stabilize F-K and quasicrystal phases in regions where simple phases of spheroidal micelles are typically observed. These complex self-assembled nanostructures have been identified by combining X-ray scattering techniques and real-space electron microscopy images. Brownian dynamics simulations based on a simplified molecular model confirm the architecture-induced sequence of phases. Furthermore, our results demonstrate the critical role of molecular architecture in dictating the formation of supramolecular crystals with “soft” spheroidal motifs and provide guidelines to the design of unconventional self-assembled nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Using the optimal combined index weight ratio to improve the probability of anomaly detection in big area additive manufacturing

Big Area Additive Manufacturing (BAAM) of composites requires significant time, energy, and material, so it is critical to reduce production inefficiencies to make functional parts without multiple iterations. Statistical process control coupled with Principal Component Analysis (PCA) is a powerful technique that provides a quick, computationally inexpensive, and intuitive way for operators to detect defects that form in a manufacturing process without massive datasets. Recently, a combined index that is a weighted sum of the Hotelling's T 2 and squared residual error statistics has been proposed that can be monitored in one chart, improving interpretation accuracy and simplicity. However, the literature does not offer a formal method to optimise the weights. Here, we introduce two new approaches to the traditional weight selection approach using simulated and BAAM image data. Approach 1 uses a theoretically motivated optimum inspired by probabilistic principal component analysis. Approach 2 systematically varies the ratio of the weights to find the optimum. We show that approach 1 delivers optimal anomaly detection performance in select cases while approach 2 fares better in practice. Surprisingly, we also show that choosing a more complex PCA model has a minimal negative impact on anomaly detection performance compared to a more simplistic model.

3-dimensional printing↗
DOE OSTI2012

MULTIPOLAR PLANETARY NEBULAE: NOT AS GEOMETRICALLY DIVERSIFIED AS THOUGHT

Planetary nebulae (PNe) have diverse morphological shapes, including point-symmetric and multipolar structures. Many PNe also have complicated internal structures such as tori, lobes, knots, and ansae. A complete accounting of all the morphological structures through physical models is difficult. A first step toward such an understanding is to derive the true three-dimensional structure of the nebulae. In this paper, we show that a multipolar nebula with three pairs of lobes can explain many such features, if orientation and sensitivity effects are taken into account. Using only six parameters-the inclination and position angles of each pair-we are able to simulate the observed images of 20 PNe with complex structures. We suggest that multipolar structure is an intrinsic structure of PNe and the statistics of multipolar PNe have been severely underestimated in the past.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

XMM-NEWTON MONITORING OF THE CLOSE PRE-MAIN-SEQUENCE BINARY AK SCO. EVIDENCE OF TIDE-DRIVEN FILLING OF THE INNER GAP IN THE CIRCUMBINARY DISK

AK Sco stands out among pre-main-sequence binaries because of its prominent ultraviolet excess, the high eccentricity of its orbit, and the strong tides driven by it. AK Sco consists of two F5-type stars that get as close as 11 R{sub *} at periastron passage. The presence of a dense (n{sub e} {approx} 10{sup 11} cm{sup -3}) extended envelope has been unveiled recently. In this article, we report the results from an XMM-Newton-based monitoring of the system. We show that at periastron, X-ray and UV fluxes are enhanced by a factor of {approx}3 with respect to the apastron values. The X-ray radiation is produced in an optically thin plasma with T {approx} 6.4 Multiplication-Sign 10{sup 6} K and it is found that the N{sub H} column density rises from 0.35 Multiplication-Sign 10{sup 21} cm{sup -2} at periastron to 1.11 Multiplication-Sign 10{sup 21} cm{sup -2} at apastron, in good agreement with previous polarimetric observations. The UV emission detected in the Optical Monitor band seems to be caused by the reprocessing of the high-energy magnetospheric radiation on the circumstellar material. Further evidence of the strong magnetospheric disturbances is provided by the detection of line broadening of 278.7 km s{sup -1} in the N V line with Hubble Space Telescope/Space Telescope Imaging Spectrograph. Numerical simulations of the mass flow from the circumbinary disk to the components have been carried out. They provide a consistent scenario with which to interpret AK Sco observations. We show that the eccentric orbit acts like a gravitational piston. At apastron, matter is dragged efficiently from the inner disk border, filling the inner gap and producing accretion streams that end as ring-like structures around each component of the system. At periastron, the ring-like structures come into contact, leading to angular momentum loss, and thus producing an accretion outburst.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Trends in ultracool dwarf magnetism. I. X-ray suppression and radio enhancement

Although ultracool dwarfs (UCDs) are now known to generate and dissipate strong magnetic fields, a clear understanding of the underlying dynamo is still lacking. We have performed X-ray and radio observations of seven UCDs in a narrow range of spectral type (M6.5-M9.5) but spanning a wide range of projected rotational velocities (vsin i ≈ 3-40 km s{sup –1}). We have also analyzed unpublished archival Chandra observations of four additional objects. All of the newly observed targets are detected in the X-ray, while only one is detected in the radio, with the remainder having sensitive upper limits. We present a database of UCDs with both radio and X-ray measurements and consider the data in light of the so-called Güdel-Benz relation (GBR) between magnetic activity in these bands. Some UCDs have very bright radio emission and faint X-ray emission compared to what would be expected for rapid rotators, while others show the opposite behavior. We show that UCDs would still be radio-overluminous relative to the GBR even if their X-ray emission were at standard rapid-rotator 'saturation' levels. Recent results from Zeeman-Doppler imaging and geodynamo simulations suggest that rapidly rotating UCDs may harbor a bistable dynamo that supports either a stronger, axisymmetric magnetic field or a weaker, non-axisymmetric field. We suggest that the data can be explained in a scenario in which strong-field objects obey the GBR while weak-field objects are radio-overluminous and X-ray-underluminous, possibly because of a population of gyrosynchrotron-emitting coronal electrons that is continuously replenished by low-energy reconnection events.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Star formation characteristics of CNN-identified post-mergers in the Ultraviolet Near Infrared Optical Northern Survey (UNIONS)

ABSTRACT The importance of the post-merger epoch in galaxy evolution has been well documented, but post-mergers are notoriously difficult to identify. While the features induced by mergers can sometimes be distinctive, they are frequently missed by visual inspection. In addition, visual classification efforts are highly inefficient because of the inherent rarity of post-mergers (~1 per cent in the low-redshift Universe), and non-parametric statistical merger selection methods do not account for the diversity of post-mergers or the environments in which they appear. To address these issues, we deploy a convolutional neural network (CNN) that has been trained and evaluated on realistic mock observations of simulated galaxies from the IllustrisTNG simulations, to galaxy images from the Canada France Imaging Survey, which is part of the Ultraviolet Near Infrared Optical Northern Survey. We present the characteristics of the galaxies with the highest CNN-predicted post-merger certainties, as well as a visually confirmed subset of 699 post-mergers. We find that post-mergers with high CNN merger probabilities [p(x) > 0.8] have an average star formation rate that is 0.1 dex higher than a mass- and redshift-matched control sample. The SFR enhancement is even greater in the visually confirmed post-merger sample, a factor of 2 higher than the control sample.

79 ASTRONOMY AND ASTROPHYSICS↗