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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Engineering Assembly Kinetics and Line Roughness in Solvent Vapor-Annealed Block Copolymer/Homopolymer Blends

Block copolymer (BCP) directed self-assembly (DSA) is a promising route to enhance lithography resolution by multiplying nanopattern density and reducing feature roughness. Eliminating kinetically trapped self-assembly defects requires fast self-assembly. However, acceleration strategies like solvent vapor annealing or homopolymer blending broaden domain interfaces, implying a trade-off in increased feature roughness. In this work, we experimentally investigate this apparent dilemma between self-assembly kinetics and line roughness for solvent vapor-annealed thin films of a lamellar poly(styrene-block-2-vinylpyridine) (PS-b-P2VP) BCP blended with PS and P2VP homopolymers. Binary blends with PS or P2VP homopolymers and ternary blends incorporating both in equal weight fractions were solvent vapor annealed using acetone, a near-neutral solvent for PS and P2VP, followed by P2VP-selective vapor-phase infiltration with alumina (AlOx) and polymer etching. Binary blends with P2VP exhibit a modest kinetic enhancement but also higher line-edge and -width roughness due to the increased frequency of P2VP protrusions and bridge defects in the alumina line patterns. In contrast, binary blends with PS self-assemble noticeably faster, while domain asymmetry from the added PS homopolymer reduces roughness by curbing the number of alumina protrusions and bridge defects. Ternary blends maintain DSA line patterns across a wider composition window and, at higher homopolymer loadings, reduce roughness at length scales near the lamellar period, consistent with a reduced impact of intradomain compositional fluctuations. These findings provide important insights for codesigning blend compositions and process flows to achieve high-resolution, defect free patterns with minimal roughness through BCP DSA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Capturing the interactions between ice sheets, sea level and the solid Earth on a range of timescales: a new “time window” algorithm

Retreat and advance of ice sheets perturb the gravitational field, solid surface and rotation of the Earth, leading to spatially variable sea-level changes over a range of timescales $\textit{O}$ (10 0–6 years), which in turn feed back onto ice-sheet dynamics. Coupled ice-sheet–sea-level models have been developed to capture the interactive processes between ice sheets, sea level and the solid Earth, but it is computationally challenging to capture short-term interactions $\textit{O}$ (10 0–2 years) precisely within longer $\textit{O}$ (10 3–6 years) simulations. The standard forward sea-level modelling algorithm assigns a uniform temporal resolution in the sea-level model, causing a quadratic increase in total CPU time with the total number of input ice history steps, which increases with either the length or temporal resolution of the simulation. In this study, we introduce a new “time window” algorithm for 1D pseudo-spectral sea-level models based on the normal mode method that enables users to define the temporal resolution at which the ice loading history is captured during different time intervals before the current simulation time. Utilizing the time window, we assign a fine temporal resolution $\textit{O}$ (10 0–2 years) for the period of ongoing and recent history of surface ice and ocean loading changes and a coarser temporal resolution $\textit{O}$ (10 3–6 years) for earlier periods in the simulation. This reduces the total CPU time and memory required per model time step while maintaining the precision of the model results. We explore the sensitivity of sea-level model results to the model temporal resolution and show how this sensitivity feeds back onto ice-sheet dynamics in coupled modelling. We apply the new algorithm to simulate sea-level changes in response to global ice-sheet evolution over two glacial cycles and the rapid collapse of marine sectors of the West Antarctic Ice Sheet in the coming centuries and provide appropriate time window profiles for each application. The time window algorithm reduces the total CPU time by ~ 50 % in each of these examples and changes the trend of the total CPU time increase from quadratic to linear. This improvement would increase with longer simulations than those considered here. Our algorithm also allows for coupling time intervals of annual temporal scale for coupled ice-sheet–sea-level modelling of regions such as West Antarctica that are characterized by rapid solid Earth response to ice changes due to the thin lithosphere and low mantle viscosities.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Emergence of a Low-Energy Peak in the Smoothed Absolute Value Circular Dichroism Spectra of Small Helical Gold Nanorods

We calculate, using time-dependent density functional theory, absorption and circular dichroism (CD) spectra for a series of small helical gold nanorod structures with a width of 0.6 nm and length increasing from 0.7 nm for Au 24 to 1.9 nm for Au 56 . For a low-energy window, ranging from 1.7 to 4.1 eV, broadening the lines in the absorption spectra results in a low energy peak which previous studies have identified as the (localized) plasmon resonance. As expected, the absorption peak position of the plasmon resonance systematically redshifts as the length of the nanorod increases. However, trends in the CD and straightforwardly broadened CD spectra are more difficult to discern. We introduce the idea of an absolute value CD spectrum and show that broadening the lines results in a low energy peak that has not previously been reported. The peak position systematically redshifts as the length of the nanorod increases but over a significantly smaller range than that for the absorption spectrum.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

The Structure-Properties Relationship of Alternative Bismaleimide Variants for Candidacy for Additive Manufacturing

Modernizing the manufacturing of high-performance polymer foams such as amino-poly(oxadiazole) bismaleimide (APO-BMI), a bismaleimide resin with superior thermal and compressive strength that incorporates additive manufacturing (AM) techniques, is crucial for its applications, but the parameters for AM can be challenging based on the physical properties of the associated monomer. For our applications, selective laser sintering (SLS) is typically used. SLS is a 3D printing technique that allows for complex shapes and geometries without structural supports while also providing high resolution material. However, printing thermosets like APO-BMI with SLS is challenging due to the complex melting and curing considerations required when selecting parameters. Additionally, the temperature difference between melting and curing of APO-BMI is over a hundred º C, which makes selecting a sintering window especially difficult. This work explores structural modifications of APO-BMI that may be more amenable for selective laser sintering. The effects of how different structural changes such as substitution pattern, heteroatom identity in the bridge, and bridge length affect the thermal properties of the material were also compared. All APO variants were found to have a smaller temperature window between the melting and curing peaks based on differential scanning calorimetry (DSC) which is advantageous for SLS. Small structural changes significantly altered the melting and curing properties of APO. Additionally, DSC revealed significant polymorphisms in APO-BMI and other APO variants which could be attributed to differences in thermal history and would need to be considered when adapting for SLS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Self-assembly of cocontinuous nanostructured copolymer templates with compositional and architectural dispersity. Final Report

Cocontinuous nanostructured materials in which multiple domains of different materials simultaneously span three dimensional space offer opportunities to achieve combined properties not possible with a single homogeneous material. These architectures have importance in a broad range of energy-relevant technologies including batteries, supercapacitors, fuel cells, separation membranes, and catalysts. Achieving such structures in polymeric materials has been of long-standing interest in the field, due to both the inherently attractive properties of cocontinuous polymer morphologies as well as their ability to serve as templates for other functional nanostructured materials. Our work on this project has established that randomly-linked polymer architectures constructed from two immiscible polymer strands provide robust and highly tunable approaches to disordered cocontinuous nanostructures. In particular, we developed a detailed understanding of how the parameters (linker functionality and strand length, asymmetry, and dispersity) of randomly-linked networks controlled the breadth of the cocontinuous window over which both phases remain percolated. We further characterized how these nanostructures undergo orientation, while retaining cocontinuity, under mechanical deformation. We also compared their behavior to that of random multi-block polymers of linear architecture, which show similar propensity to form disordered nanostructures, albeit over narrower ranges of parameter space. Finally, we have explored the development of functional polymer nanostructures and composites based in part on the fundamental understanding obtained via this project.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Tuning Anisotropic Optical Properties of Inorganic and Hybrid Organic–Inorganic MXenes via Topochemical Surface Modification

Surface groups are central to the properties of MXenes, yet their role in optical anisotropy remains largely unexplored. Here, we use a topochemical route to synthesize single crystals of stacked Ti 3 C 2 Cl 2 and hybrid organic–inorganic MXenes (h-MXenes) with lateral sizes of 38–75 μm, rotational registry, and tunable interlayer spacing. Solid-state NMR spectroscopy shows that topochemical substitution generates mixed amido, imido, and hydride surface motifs, which modify the electronic structure of the Ti 3 C 2 inorganic core. Imaging spectroscopic ellipsometry with micron-scale spatial resolution enables reconstruction of the complex dielectric tensor of individual multilayer crystals. Ti 3 C 2 Cl 2 exhibits a type-II hyperbolicity above 930 nm, whereas h-MXenes do not display hyperbolicity within the measured 300–1700 nm window, instead showing reduced in-plane conductivity, suppressed out-of-plane light absorption, and a chain-length-dependent blue shift of a near-infrared absorption feature. These results demonstrate topochemical surface modification as a direct handle for engineering MXenes as surface-programmable optical media.

Hybrid materials↗
DOE OSTI2024

WEST full tungsten operation with an ITER grade divertor

The mission of WEST (tungsten-W Environment in Steady-state Tokamak) is to explore long pulse operation in a full tungsten (W) environment for preparing next-step fusion devices (ITER and DEMO) with a focus on testing the ITER actively cooled W divertor in tokamak conditions. Following the successful completion of phase 1 (2016-2021), phase 2 started in December 2022 with the lower divertor made entirely of actively cooled ITER-grade tungsten mono-blocks. A boronization prior the first plasma attempt allowed for a smooth startup with the new divertor. Despite the reduced operating window due to tungsten, rapid progress has been made in long pulse operation, resulting in discharges with a pulse length of 100 s and an injected energy of around 300 MJ per discharge. Plasma startup studies were carried out with equatorial boron nitride limiters to compare them with tungsten limiters, while Ion Cyclotron Resonance Heating assisted startup was attempted. High fluence operation in attached regime, which was the main thrust of the first campaigns, already showed the progressive build up of deposits and appearance of dust, impacting the plasma operation as the plasma fluence increased. In total, the cumulated injected energy during the first campaigns reached 43 GJ and the cumulated plasma time exceeded 5 h. Demonstration of controlled X-Point Radiator regime is also reported, opening a promising route for investigating plasma exhaust and plasma-wall interaction issues in more detached regime. This paper summarises the lessons learned from the manufacturing and the first operation of the ITER-grade divertor, describing the progress achieved in optimising operation in a full W environment with a focus on long pulse operation and plasma wall interaction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

A High-Throughput Method to Define Additive Manufacturing Process Parameters: Application to Haynes 282

This paper demonstrates how an analytical and experimental method can be used to rapidly define the 45 additive manufacturing settings for a new alloy where the process parameters were previously unknown. A nickel-based superalloy, Haynes 282, was chosen for the analysis. An experimental matrix of focused processing parameters was predicted with a dimensionless number and 100 samples were printed using the Selective Laser Melting technique. High-throughput measurements validated the predicted process conditions needed to achieve desired density and hardness. The whole process was completed in 16 hours. The new technique was confirmed with analytical processing maps adopted by the metal additive manufacturing community. With the predicted set of process parameters, microstructural characterizations and tensile testing were used to confirm the predictions. The resultant as-fabricated microstructures have refined length scales of both microsegregation and secondary phase distributions. As a result, the mechanical properties were comparable within the predicted processing window and exhibited high strength and high ductility.

Laser Material Processing↗
DOE OSTI2023

An Efficient Three-Dimensional CFD-Based Numerical Wave Tank for a Wave Energy Converter in Extreme Irregular Waves

A numerical wave tank approach for computational fluid dynamics (CFD) modelling of an extreme irregular seastate is presented. The technique couples a potential flow solution with a CFD solver for more efficient numerical predictions. This method has recently become attractive both for the research community and the industry working with offshore structures. The model is used to determine the response of a submerged pressure differential wave energy converter (WEC) in a fully nonlinear irregular wave condition using the high-fidelity CFD code, STAR-CCM+. Potential flow based numerical models are commonly used to predict motions and performance of wave energy converters. Wave kinematics can deviate from potential flow predictions for extreme wave conditions; the excitation loads on an absorber can also be increasingly influenced by viscous effects, not predicted by potential flow engineering level models. In these extreme conditions, a Reynolds-averaged Navier-Stokes CFD model can better predict motions and loads for a WEC. Long time series with varying random seed numbers can be used to identify singular extreme wave events from a stochastic irregular sea state. This approach simulates a more realistic wave series for a given sea state than a regular wave or a focused wave. However, it is computationally infeasible to run these long time series for three-dimensional (3D) CFD simulations. In this work, two-dimensional (2D) CFD simulations with a long domain allow the full development of an extreme nonlinear wave condition. The results are used to identify extreme events from a 50-year storm condition for the PacWave site off the coast of Oregon. A relatively short time window including this extreme event is then mapped to a 3D simulation using a user defined wave methodology. Convergence studies for domain length, wave forcing lengths, and time before the extreme event were conducted.

CFD↗
DOE OSTI2023

An Efficient Three-Dimensional CFD-Based Numerical Wave Tank for a Wave Energy Converter in Extreme Irregular Waves: Preprint

A numerical wave tank approach for computational fluid dynamics (CFD) modelling of an extreme irregular seastate is presented. The technique couples a potential flow solution with a CFD solver for more efficient numerical predictions. This method has recently become attractive both for the research community and the industry working with offshore structures. The model is used to determine the response of a submerged pressure differential wave energy converter (WEC) in a fully nonlinear irregular wave condition using the high fidelity CFD code, STAR-CCM+. Potential flow based numerical models are commonly used to predict motions and performance of wave energy converters. Wave kinematics can deviate from potential flow predictions for extreme wave conditions; the excitation loads on an absorber can also be increasingly influenced by viscous effects, not captured in engineering level models. In these extreme conditions, a Reynolds-averaged Navier-Stokes CFD model can better predict motions and loads for a WEC. Long time series with varying random seed numbers can be used to identify singular extreme wave events from a stochastic irregular sea state. This approach simulates a more realistic wave series for a given sea state than a regular wave or a focused wave. However, it is computationally infeasible to run these long time series for three-dimensional (3D) CFD simulations. In this work, two-dimensional (2D) CFD simulations with a long domain allow the full development of an extreme nonlinear wave condition. The results are used to identify extreme events from a 50-year storm condition for the PacWave site off the coast of Oregon. A relatively short time window including this extreme event is then mapped to a 3D simulation using a user defined wave methodology. Convergence studies for domain length, wave forcing lengths, and time before the extreme event were conducted.

cfd↗
DOE OSTI2026

Vapor phase deposition of alumina on interior surfaces of tritium storage containers

Efficient tritium management and containment are critical challenges for nuclear fusion. To mitigate issues related to permeation into structural materials and isotopic exchange with protium, permeation barriers must be applied to the nonplanar internal surfaces of tritium handling components. In this study, we developed an atomic layer deposition (ALD) system to deposit films on canisters used to store and transport tritium. Growth conditions for deposition of Al 2 O 3 were mapped spatially along the length of a canister using silicon witness samples characterized by ellipsometry, atomic force microscopy, and x-ray reflectivity (XRR). We identified ALD process windows for growth at temperatures between 100 and 140 °C. Furthermore, we compared films grown on our Si witness samples to those grown on polished stainless steel 316 (SS316). X-ray photoelectron spectroscopy indicates two distinct chemical states for the alumina, while XRR confirms that the overall growth rate is similar to the 1.1 Å/cycle that we observed on the Si witness samples.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

The Unitarity-Limit Expansion for Two Nucleons with Perturbative Pions: Digest and Ideas

Theorists love nontrivial fixed points. In the Unitarity Limit, the NN 𝑆-wave binding energies are zero, the scattering lengths infinite, Physics is universal, i.e. insensitive to details of the interactions, and observables display richer symmetries, namely invariance under both scaling and Wigner’s combined SU(4) transformation of spin and isospin. In “Pionless” EFT, both are explicitly but weakly broken and hence perturbative in the Unitarity Window (phase shifts 45° ≲ δ(k) ≲ 135°, i.e. momenta k≈mπ). This Unitarity Expansion provides strong hints that Nuclear Physics resides indeed in a sweet spot: bound weakly enough to be insensitive to the details of the nuclear interaction; and therefore interacting strongly enough that the NN scattering lengths are perturbatively close to the Unitarity Limit. In this paradigm change, NN details are less important than NNN interactions to explain the complexity and patterns of the nuclear chart. This presentation is a digest of the first quantitative exploration of corrections to this picture when pions are included [1] (see there for a more comprehensive list of references). Since the pion mass and decay constant introduce dimensionful scales in the NN system, they explicitly break the symmetries of the Unitarity fixed point. In χEFT, these symmetries must therefore be hidden and instead be classified as emergent.

Griesshammer, Harald W. [The George Washington Uni↗
DOE OSTI2020

Domain fluctuations in a ferroelectric low-strain BaTiO 3 thin film

In this work, a ferroelectric BaTiO 3 thin film grown on a NdScO 3 substrate was studied using x-ray photon correlation spectroscopy (XPCS) to characterize thermal fluctuations near the a/b to a/c domain structure transformation present in this low-strain material, which is absent in the bulk. XPCS studies provide a direct comparison of the role of domain fluctuations in first- and second-order phase transformations. The a/b to a/c domain transformation is accompanied by a decrease in fluctuation timescales, and an increase in intensity and correlation length. Surprisingly, domain fluctuations are observed up to 25 °C above the transformation, concomitant with the growth of a/c domains and coexistence of both domain types. After a small window of stability, as the Curie temperature is approached, a/c domain fluctuations are observed, albeit slower, potentially due to the structural transformation associated with the ferroelectric to paraelectric transformation. The observed time evolution and reconfiguration of domain patterns highlight the role played by phase coexistence and elastic boundary conditions in altering fluctuation timescales in ferroelectric thin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Global energy spectrum of the general oceanic circulation

Abstract Advent of satellite altimetry brought into focus the pervasiveness of mesoscale eddies $${{{{{{{\bf{{{{{{{{\mathcal{O}}}}}}}}}}}}}}}}({100})$$ O ( 100 ) km in size, which are the ocean’s analogue of weather systems and are often regarded as the spectral peak of kinetic energy (KE). Yet, understanding of the ocean’s spatial scales has been derived mostly from Fourier analysis in small "representative” regions that cannot capture the vast dynamic range at planetary scales. Here, we use a coarse-graining method to analyze scales much larger than what had been possible before. Spectra spanning over three decades of length-scales reveal the Antarctic Circumpolar Current as the spectral peak of the global extra-tropical circulation, at ≈ 10 4 km, and a previously unobserved power-law scaling over scales larger than 10 3 km. A smaller spectral peak exists at ≈ 300 km associated with mesoscales, which, due to their wider spread in wavenumber space, account for more than 50% of resolved surface KE globally. Seasonal cycles of length-scales exhibit a characteristic lag-time of ≈ 40 days per octave of length-scales such that in both hemispheres, KE at 10 2 km peaks in spring while KE at 10 3 km peaks in late summer. These results provide a new window for understanding the multiscale oceanic circulation within Earth’s climate system, including the largest planetary scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

On two nucleons near unitarity with perturbative pions

We explore the impact of perturbative pions on the Unitarity Expansion in the two-nucleon S-waves of Chiral Effective Field Theory at next-to-next-to leading order (N 2 LO). Pion exchange explicitly breaks the nontrivial fixed point’s universality, i.e. invariance of S waves under both conformal and Wigner’s combined SU(4) spin–isospin transformations. On the other hand, Unitarity explicitly breaks chiral symmetry. The two seem incompatible in their respective exact-symmetry limits. χEFT with Perturbative Pions in the Unitarity Expansion resolves the apparent conflict in the Unitarity Window (phase shifts 45° ≲ δ(k) ≲ 135°), i.e. around momenta most relevant for low-energy nuclear systems. Its only LO scale is the scattering momentum; NLO adds only scattering length, effective range and non-iterated one-pion exchange (OPE); and N 2 LO only once-iterated OPE. Agreement in the 1 S 0 channel is very good.

Chiral symmetry↗
DOE OSTI2021

Effects of Electron Irradiation on Candidate Materials for Target Window in Accelerator-Driven Mo-99 Production

Room-temperature (RT) axial tensile tests were conducted in 2018 and 2021 with flat, sub-sized, dog-boned samples of non-irradiated and irradiated Inconel 718 and irradiated beryllium (Be). The sample gauge length was 7.62 mm. Tensile properties of interest are the engineering yield stress (YS), ultimate tensile stress (UTS), uniform elongation (UE) and total elongation (TE). The electron dose of the 2021 samples was ≈2 times the dose of samples tested in 2018. Relative dose rates of 0, 1 (2018), and 2 (2021) are assigned to these samples. The 2021 electron-irradiated Be samples were brittle with a low failure stress of 338±64 MPa based on two samples. The failures occurred in the gauge section. The 2018 results for electron-irradiated Be indicated a slight decrease in ductility and strength for the one electron-irradiated sample that failed in the gauge section.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

A comparison of template vs. direct model fitting for redshift-space distortions in BOSS

The growth of large-scale structure, as revealed in the anisotropic of clustering of galaxies in the low redshift Universe at z < 2, provides a stringent test of our cosmological model. The strongest current constraints come from the BOSS and eBOSS surveys, with uncertainties on σ 8 , the amplitude of clustering on an 8 h –1 Mpc scale, of less than 10 per cent. A number of different approaches have been taken to fitting this signal, leading to discrepancies of up to 1σ in the measurements of the amplitude of fluctuations at late times. We compare in some detail two of the leading approaches, one based on fitting a template cosmology whose amplitude and length scales are allowed to float with one based on varying the underlying parameters of a cosmological model directly, when fitting to the BOSS DR12 data. Holding the input data, scale cuts, window functions and modeling framework fixed we are able to isolate the cause of the differences and discuss the implications for future surveys.

redshift surveys↗
DOE OSTI2021

Inception Based Deep Convolutional Neural Network for Remaining Useful Life Estimation of Turbofan Engines

Accurate estimation of the remaining useful life (RUL) is a key component of condition based maintenance (CBM) and prognosis and health management (PHM). Data-based models for the estimation of RUL are of particular interest because expert knowledge of systems is not always available and physical modeling is often not feasible. In this paper, a deep convolutional neural network (CNN) architecture is investigated for its ability to estimate the RUL of turbofan engines. The input to the model is a window of time series data collected from the engine under test. Inputting raw sensor data allows features to be learned instead of manually determined. To incorporate the ability to detect features of differing lengths, inception modules are used in the neural network architecture. The model is trained and tested using the new Commercial Modular Aero-Propulsion System Simulation (N-CMAPSS) data set and high prognosis accuracy was achieved. The developed model was used in the 2021 PHM Society Data Challenge and received second place, further validating its ability to accurately estimate RUL.

DeVol, Nathaniel↗