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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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33 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

On the stability of a pair of vortex rings

The growth of perturbations subject to the Crow instability along two vortex rings of equal and opposite circulation undergoing a head-on collision is examined. Unlike the planar case for semi-infinite line vortices, the zero-order geometry of the flow (i.e. the ring radius, core thickness and separation distance) and by extension the growth rates of perturbations vary in time. The governing equations are therefore temporally integrated to characterize the perturbation spectrum. The analysis, which considers the effects of ring curvature and the distribution of vorticity within the vortex cores, explains several key flow features observed in experiments. First, the zero-order motion of the rings is accurately reproduced. Next, the predicted emergent wavenumber, which sets the number of secondary vortex structures emerging after the cores come into contact, agrees with experiments, including the observed increase in the number of secondary structures with increasing Reynolds number. Finally, the analysis predicts an abrupt transition at a critical Reynolds number to a regime dominated by a higher-frequency, faster-growing instability mode that may be consistent with the experimentally observed rapid generation of a turbulent puff following the collision of rings at high Reynolds numbers.

42 ENGINEERING↗
DOE OSTI2021

Implementation of Monte Carlo Transport in the General Relativistic SpEC Code

Neutrino transport and neutrino-matter interactions are known to play an important role in the evolution of neutron star mergers and of their post-merger remnants. Neutrinos cool remnants, drive post-merger winds, and deposit energy in the low-density polar regions where relativistic jets may eventually form. Neutrinos also modify the composition of the ejected material, impacting the outcome of nucleosynthesis in merger outflows and the properties of the optical/infrared transients that they power (kilonovae). So far, merger simulations have largely relied on approximate treatments of the neutrinos (leakage, moments) that simplify the equations of radiation transport in a way that makes simulations more affordable but also introduces unquantifiable errors in the results. To improve on these methods, we recently published a first simulation of neutron star mergers using a low-cost Monte Carlo algorithm for neutrino radiation transport. Our transport code limits costs in optically thick regions by placing a hard ceiling on the value of the absorption opacity of the fluid, yet all approximations made within the code are designed to vanish in the limit of infinite numerical resolution. We provide here an in-depth description of this algorithm, of its implementation in the SpEC merger code, and of the expected impact of our approximations in optically thick regions. We argue that the last is a subdominant source of error at the accuracy reached by current simulations and for the interactions currently included in our code. We also provide tests of the most important features of this code.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Formation of tunable diamond micro- and nanopillars for field effect enhancement applications

Here, we developed a process for the fabrication of tunable single crystal diamond micro- and nanopillars, with tip widths ranging from 40 to 460 nm, densities ranging from 0.5 to 53.5 pillars/μm 2 , and heights greater than 4.5 μm. A self-assembled Au nanodot ensemble etch mask was formed from an annealed Au thin film. The nanodot diameter and density can be tuned using the initial film thickness. The pillars were etched from the nanodot mask using an RIE O 2 plasma, which has infinite selectivity for the diamond when applied at low RF powers (50 W). Finally, the pillars can be sharpened to ~40 nm tip widths by annealing in air at 650 °C. These pillars can be used for applications such as field effect enhancement of diamond photocathode devices, enhancement of optical emission from N-V centers, and antireflective coatings.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Transient magnetic field diffusion considerations relevant to magnetically assisted indirect drive inertial confinement fusion

We report application of a magnetic field to an indirect drive inertial confinement fusion target requires diffusion of the field through the high-Z and electrically conducting Hohlraum. The onset of the external field generates eddy currents in the Hohlraum wall that result in (1) a reduction of the peak field at the capsule, (2) heating of the Hohlraum wall through Ohmic dissipation, and (3) wall movement due to the inward force from the eddy current interacting with the field. Heating of the wall causes an increase in blackbody radiation which can preheat the capsule and frozen deuterium–tritium fuel, while wall motion leads to potential misalignment of the lasers at the Hohlraum wall. Limiting these detrimental effects sets requirements on the tolerable magnitude of each effect. We present a nonlinear model for B-field diffusion through an infinitely long thin-walled cylinder with a temperature dependent resistivity, to show that a 15 μm thick wall of pure gold fails to meet these requirements. A new Hohlraum material made from an alloy of Au and Ta has a measured resistivity of ≥60 times that of Au and is shown with the nonlinear model to meet the requirements for magnetization. We compare the nonlinear model to simulations of the actual Hohlraum target using a finite element code which includes temperature-dependent Hohlraum resistivity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Analysis of SCALE Criticality and Sensitivity Calculations for Reflected HEU Cylinders

The SCALE code package offers multiple nuclear data libraries and sensitivity and uncertainty (S/U) methods supporting and derived from Monte Carlo (MC) transport. The CSAS and TSUNAMI-3D sequences use KENO MC, utilizing either continuous-energy (CE) cross sections or multigroup (MG) cross section libraries. TSUNAMI-3D has two CE calculational methods: the iterated fission probability (IFP) method, and the Contribution-Linked eigenvalue sensitivity/Uncertainty estimation via Tracklength importance CHaracterization (CLUTCH) method. Previous work has shown poor agreement between CLUTCH and confirmatory direct perturbation calculations in specific applications (e.g., fissionable and polyethylene reflectors). The HEU-MET-FAST-084 (HMF-084) International Criticality Safety Benchmark Evaluation Project evaluation consists of 27 cylindrical highly enriched uranium metal cores with 14 unique reflector materials of 0.5 and 1 in. thicknesses. Included in this list of reflector materials are natural uranium and polyethylene. This work utilized SCALE 6.2.4 models of the HMF-084 evaluation, with additional non-physical configurations to test both the MG bias and CLUTCH functionality across a variety of reflector material thicknesses. The evaluation’s use of concentric cylinders allowed for examination of several MG self-shielding methods: infinite homogenous, cylindrical, and spherical. The results indicate that the use of polyethylene reflectors with CLUTCH is not fundamentally impossible but sensitive to geometry. The poor performance of CLUTCH with fissionable reflectors was reaffirmed. The 2 in. and greater polyethylene-reflected calculations demonstrate the necessity of using the 302-group library for fast systems. The nickel MG bias was substantial, as discussed in a companion paper, as were cobalt and iron.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Lattice sine-Gordon model

We obtain nonperturbative results on the sine-Gordon model using the lattice field technique. In particular, we employ the Fourier accelerated hybrid Monte Carlo algorithm for our studies. We find the critical temperature of the theory based on autocorrelation time, as well as the finite size scaling of the "thickness" observable used in an earlier lattice study by Hasenbusch et al. We study the entropy, which is smooth across all temperatures, supportive of an infinite order transition. This system has a well-known duality with the massive Thirring model, which can play the role of a toy models for Montonen-Olive duality in $\mathcal {N}$ = 4 super-Yang-Mills theory, since it relates solitons to elementary field excitations. Our research lays a groundwork for such study on the lattice.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Hilbert space fragmentation in a 2D quantum spin system with subsystem symmetries

We consider a 2D quantum spin model with ring-exchange interaction that has subsystem symmetries associated to conserved magnetization along rows and columns of a square lattice, which implies the conservation of the global dipole moment. The model is not integrable, but violates the eigenstate thermalization hypothesis through an extensive Hilbert space fragmentation, including an exponential number of inert subsectors with trivial dynamics, arising from kinetic constraints. While subsystem symmetries are quite restrictive for the dynamics, we show that they alone cannot account for such a number of inert states, even with infinite-range interactions. We present a procedure for constructing shielding structures that can separate and disentangle dynamically active regions from each other. Notably, subsystem symmetries allow the thickness of the shields to be dependent only on the interaction range rather than on the size of the active regions, unlike in the case of generic dipole-conserving systems.

Khudorozhkov, Alexey↗
DOE OSTI2025

Molecular Layer Deposited Aluminum‐Based Hybrid Resist for High‐Resolution Nanolithography and Direct Ultra‐High Aspect Ratio Pattern Transfer

Inorganic-containing hybrid photoresists are critical for next-generation extreme ultraviolet (EUV) lithography and angstrom-era semiconductor miniaturization. However, associated conventional solution processing struggles to achieve ultrathin, uniform films with high conformality and compositional control, limiting overall patterning performance. Here, this study reports the systematic lithographic patterning characterization of an Al-based hybrid resist synthesized via vapor-phase molecular layer deposition (MLD), using the trimethylaluminum (TMA) metal precursor and the hydroquinone (HQ) aromatic organic linker. The resist supports both sub-20 nm high-resolution nanolithography and virtually infinite silicon plasma etch selectivity. Lithographic performance studied using electron beam lithography (EBL) as a proxy for EUV shows that, under an optimized process adopting post-exposure bake, the resist achieves the best resolution of 15.4 nm linewidth under stringent 1:1 line-space high-density patterning—limited only by the minimum beam size of the EBL system. The resist also shows wide dose latitude and balanced performance in resolution, roughness, and sensitivity. The infinite silicon etch selectivity, stemming from spontaneous aluminum oxyfluoride passivation layer formation, enables fabrication of micrometer-tall, 40 nm-wide silicon nanofin structures using only a ≈30 nm-thick resist layer, without no hard mask. These results highlight the potential of MLD-based hybrid resists for developing next-generation resist materials for micro/nanoelectronics manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Electron-Nanobunch-Width-Dominated Spectral Power Law for Relativistic Harmonic Generation from Ultrathin Foils

Relativistic high-order harmonic generation from solid-density plasma offers a compact source of coherent ultraviolet and x-ray light. For solid targets much thinner than the laser wavelength, the plasma thickness can be tuned to increase conversion efficiency; a reduction in total charge allows for balancing the laser and plasma driving forces, producing the most effective interaction. Unlike for semi-infinite plasma surfaces, in this study we find that for ultrathin foil targets the dominant factor in the emission spectral shape is the finite width of the electron nanobunches, leading to a power-law exponent of approximately 10/3. Ultrathin foils produce higher-efficiency frequency conversion than solid targets for moderately relativistic (1 0 <40) interactions and also provide unique insight into how the trajectories of individual electrons combine and interfere to generate reflected attosecond pulses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Scanning SQUID study of ferromagnetism and superconductivity in infinite-layer nickelates

Infinite-layer nickelates R 1-x Sr x NiO 2 (R = La, Pr, Nd) are a class of superconductors with structural similarities to cuprates. Although long-range antiferromagnetic order has not been observed for these materials, magnetic effects such as antiferromagnetic spin fluctuations and spin-glass behavior have been reported. Different experiments have drawn different conclusions about whether the pairing symmetry is s or d wave. In this paper, we applied a scanning superconducting quantum interference device (SQUID) to probe the magnetic behavior of film samples of three infinite-layer nickelates (La 0.85 Sr 0.15 NiO 2 , Pr 0.8 Sr 0.2 NiO 2 , and Nd 0.775 Sr 0.225 NiO 2 ) grown on SrTiO 3 (STO), each with a nominal thickness of 20 unit cells. In all three films, we observed a ferromagnetic background. We also measured the magnetic susceptibility above the superconducting critical temperature in Pr 0.8 Sr 0.2 NiO 2 and La 0.85 Sr 0.15 NiO 2 and identified a non-Curie-Weiss dynamic susceptibility. Both magnetic features are likely due to NiO x nanoparticles. We investigated superconductivity in Pr 0.8 Sr 0.2 NiO 2 and Nd 0.775 Sr 0.225 NiO 2 , which exhibited inhomogeneous diamagnetic screening. The superfluid density inferred from the diamagnetic susceptibility in relatively homogeneous regions shows T-linear behavior in both samples. Finally, we observed superconducting vortices in Nd 0.775 Sr 0.225 NiO 2 . We determined a Pearl length of 330 µm for Nd 0.775 Sr 0.225 NiO 2 at 300 mK, both from the strength of the diamagnetism and from the size and shape of the vortices. These results highlight the importance of considering NiO x particles when interpreting experimental results for these films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Defects in epitaxial Ru(0001) on Al2O3(0001): Dislocations, stacking faults, and deformation twins

In this study, defects in epitaxial Ru(0001) films on c-plane sapphire, with nominal thicknesses of 10–80 nm, deposited at 350 °C and step-annealed to 950 °C, were characterized using transmission electron microscopy. The variation of Ru and sapphire lattice parameters with temperature is such that the misfit strain for the observed 30° rotated-honeycomb epitaxial relationship is essentially constant with temperature at 1.5%, resulting in a biaxial stress of 10.0 GPa and an energy density of 150 MJ m –3 in unrelaxed films. Stress relaxation occurs by the formation of defects. For the 20–80 nm thick films, the defects are a- and c-type dislocations and stacking faults, argued to be of I 2 type. In addition, the films show the surprising presence of $\{11\bar{2}1\}1/3\langle11\bar{2}\bar{6}\rangle$ deformation twins. The 10 nm-thick films were found to be defect free. The critical thickness for misfit strain relaxation via the formation of threading and misfit dislocations is computed as 7±2 nm, depending on the choice of the dislocation core radius. Energetic analysis of twin formation, using both the infinite-matrix and the finite-matrix (Mori–Tanaka) approaches, provides values of the twin aspect ratios, assumed to be ellipsoidal, and shows that the latter but not the former approach can qualitatively explain the formation of the observed twins. In addition to providing the maximum strain relief compared to other potential twin types, $\{11\bar{2}1\}1/3\langle11\bar{2}\bar{6}\rangle$ twins do not require lattice shuffles and have a boundary that is a special boundary, namely, a 35° tilt boundary with a-type dislocations every other {0002} plane, that may also favor their formation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Constraint and size effects in confined layer plasticity

Plane strain finite element analyses are used to model the experiments for a thin metal layer confined between elastic solids. Here, the thin metal layer undergoes elastic-plastic deformations, here modelled by strain gradient plasticity, while the rest of the solid deforms only elastically. Plane strain is assumed and finite strains are accounted for. The microscopic boundary condition at the band interface is initially taken to be zero plastic strain increment, but plastic straining at the interface is allowed when the plastic strain gradient at the interface has exceeded a critical value. When the narrow metal band is inclined 45° relative to the direction of compression of the solid simple shear develops in the band and predictions are rather similar to those of a one-dimensional analysis for an infinite band. For a band at 90° the elastic parts give significant constraint on plastic flow, the stress fields are non-uniform along the band and the average nominal compressive stress shows strong sensitivity to the layer thickness and to the width of the specimen. Remarkably good qualitative, and in some cases quantitative, agreement is found with the experimental observations. Considering also other band angles, both the average nominal shear and compressive stress show variations with the angle.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Computing Edge States without Hard Truncation

We present a numerical method which accurately computes the discrete spectrum and associated bound states of semi-infinite Hamiltonians which model electronic “edge” states localized at boundaries of one- and two-dimensional crystalline materials. The problem is nontrivial since arbitrarily large finite “hard” (Dirichlet) truncations of the Hamiltonian in the infinite bulk direction tend to produce spurious bound states partially supported at the truncation. Our method, which overcomes this difficulty, is to compute the Green's function of the semi-infinite Hamiltonian by imposing an appropriate boundary condition in the bulk direction; then, the spectral data is recovered via Riesz projection. We demonstrate our method's effectiveness by studies of edge states at a graphene zig-zag edge in the presence of defects modeled both by a discrete tight-binding model and a continuum PDE model under finite difference discretization. Our method may also be used to study states localized at domain wall-type edges in one- and two-dimensional materials where the edge Hamiltonian is infinite in both directions; we demonstrate this for the case of a tight-binding model of distinct honeycomb structures joined along a zig-zag edge. Here, we expect our method to be useful for designing novel devices based on precise wave-guiding by edge states.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Vortex in superconducting thin-film strips of arbitrary width

We report the currents and field distributions of a vortex in a thin superconducting strip of a width W are considered. It is shown that unlike infinite films where the vortex field crosses the film only in one direction (say, from the half-space under the film to the half-space above it), in strips (as well as in finite size film samples of any shape) the field lines go back to the lower half-space not only out of the sample but also through certain strip parts. The strip patches where the magnetic lines 'dive' back to the space under the strip are situated mostly near the strip edges, at the strip and out of it. The magnetic flux through the strip associated with the vortex is shown to be less than the flux quantum and depends on the vortex position. The suppression of the vortex flux is strong in narrow strips with W $\ll$ Λ = 2λ 2 /d where λ is the bulk London penetration depth and d is the film thickness. The vortex energy scales roughly with W/Λ and depends on vortex position.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Development of Additively Manufactured Complex Tools for Autoclave Cure Composites

IACMI Project 4.9, Tooling for Composites with Washout Features Produced by Additive Manufacturing, assembled a team including the industry lead, Ability Composites, NREL and Colorado State University (CSU). Ability Composites had originally expressed interest in alternate methods of producing tooling for composite parts. In follow-up discussions, it became clear that one of the bigger tooling challenges revolved around small production volume composite parts that were tooled on washout material due to the complex geometry. To build an understanding of the potential, both from a technology and a cost perspective, for replacing conventional washout tooling with 3D printed thermoplastic tooling, a number of commercially available dissolvable FDM printing materials were evaluated, leading to tooling representative of commercial articles of interest to Ability Composites. Ultimately, Ability Composites was able to directly compare autoclave processed prepreg composite parts produced on conventional washout tooling to composite parts molded on 3D printed dissolvable tooling produced at CSU. Small, laboratory test specimens were developed to investigate the structural performance of the candidate materials under autoclave processing conditions, which were nominally 121 °C (250 °F) and 345 kPa (50 psi). In addition, several internal structural configurations (infills) were evaluated under autoclave conditions using model materials. The results of these tests indicated that two materials, Stratasys ST 130 and Infinite Materials Solutions Aquasys 180 (AQ 180), were the best candidates, given the specified autoclave processing conditions. ST-130 was slightly more robust than AQ-180; however, the AQ-180 was carried forward as it was dissolvable in water, not requiring the basic solution needed to dissolve ST-130. Based on the preliminary material and 3D printed structures evaluations, larger tools with a truncated square pyramid geometry were created to produce prepreg composite test articles for 3D printed dissolvable tool evaluation under standard autoclave fabrication conditions. Two tools were manufactured using ST-130 and one tool using traditional ceramic washout tooling media. The tools were evaluated for geometric fidelity and surface roughness changes before and after carbon fiber/epoxy prepreg composites were manufactured on the tooling. The autoclave processing did not impact the geometry significantly and was completed at 121 °C and 345 kPa, indicating satisfactory tool performance. The results from surface roughness testing of both the resulting composite and the associated tooling indicated that an adequate surface resulted without the need for a surface sealing step, as was required for the conventional washout tooling. Based on results of the truncated pyramid tests as a basis, ST-130, AQ-120 and AQ-180 materials were carried forward to the tool geometry of interest to Ability Composites. These hollow rectangular bent ducts, which were complex in nature and not extractable after cure, were used to understand the impacts of tool material and thickness. One ST-130 tool was produced as a partially solid part, with an enclosed 40% dense infill region to reduce weight and material use. This was the same approach evaluated in the truncated pyramid portion of the study. This tool was to be envelope vacuum bagged and directly compared to a monolithic tool of conventional washout material. The traditional monolithic ceramic tool was manufactured by Ability composites using CNC-based subtractive methods. An additional five dissolvable polymer tools, manufactured from ST-130, AQ-120, and AQ-180, using a hollow design were 3D printed and used to produce carbon fiber/epoxy composite evaluation articles. These hollow dissolvable tools were expected to be less influenced by the autoclave conditions as the wall was solid and vacuum bagging was inside and outside the tool. This alternative geometry was also evaluated as an option in techno-economic modeling. Print times were reduced from in excess of 3 days to under 30 hours, while surface quality and and tool integrity were substantially improved in the transition from the partially solid tool to the hollow tooling concept. Ability Composites produced autoclave-cured prepreg ducts on each of these tools. The autoclave conditions utilized were more severe than those of the initial trials, reaching temperatures of 160 °C and a pressure of 414 kPa. Under these conditions, the partially solid 3D printed tool with skin and 40% dense infill crushed significantly; however, the thicker ST-130 hollow tool showed good promise, deforming only slightly. The thinner hollow tool walls were unsuccessful as were the other materials. Overall, the hollow tool manufacturing process saved significant amounts of time and material in manufacturing as compared to the solid ducts and produced composite surface quality improvements compared to the traditional washout tooling. The TEM was developed to allow direct comparisons between conventional washout tool manufacturing processes and those developed at CSU. It also allowed for two separate 3D printed tool geometries to be analyzed and compared. In this case, the square bent duct tool geometry was determined to be representative of common washout tools. This geometry was compared with a scaled-up version of it to assess differences in the two manufacturing processes based on tool size. The model was developed to make use of user input in the form of geometry details, process steps, manufacturing parameters, bulk material costs, capital equipment costs, and general costs to calculate overall labor, material, capital equipment, and energy costs per manufactured tool for the conventional and additive manufacturing processes for the two representative geometries. It was also able to estimate step-by-step process times for the manufacturing process and geometries. Based on significant input from Ability Composites and CSU from their knowledge gained from hands-on manufacturing of the 3D printed bent duct tool geometry, costs and process times were calculated for the two manufacturing processes. Results showed that the additive manufacturing techniques developed at CSU can substantially reduce the costs of tool manufacturing by reducing labor times and material usage. This is because additive manufacturing is a relatively hands-off process and allows for the tool design to be optimized to reduce material usage. The disadvantage, however, is that process times for additive manufacturing are significantly longer. The three-dimensional (3D) printing process is slow if tight tolerances are required, but the analysis did show that print times could be reduced with the hollow tool geometry. Also, further advances in additive manufacturing could expedite the process. Costs and process times for the tool washout process were calculated separately. They showed that costs are relatively insignificant when compared to the overall tool manufacturing processes, but with increases in tool size, costs for the conventional manufacturing approach are larger than for additive manufacturing. Again, the washout process for conventional tools is very hands-on, whereas for additively manufactured tools the print medium is dissolved in an automated detergent bath at the sacrifice of process time. The analysis showed that optimizing the additively manufactured tools may also reduce washout times. Overall, Project 4.9 demonstrated that commercially available dissolvable 3D printing materials exist that can be used to produce dissolvable tooling capable of surviving prepreg composites fabrication under autoclave conditions of 121 °C (250 °F) and 345 kPa (50 psi). An alternative hollow dissolvable tool design was developed which was structurally superior to the initial concept and was cost and time effective versus conventional washout tooling. The 3D printed sacrificial tool required no added surface sealing steps prior to composite part layup and cure, offering a significant advantage over the porous conventional washout tooling.

36 MATERIALS SCIENCE↗