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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Long‐Term Large‐Scale Atmospheric Forcing Data From Three‐Dimensional Constrained Variational Analysis for the ARM SGP Site

Here, this study presents a long‐term three‐dimensional large‐scale forcing data set (VARANAL3D) derived from the three‐dimensional constrained variational analysis (3DCVA) method at the Atmospheric Radiation Measurement (ARM) program Southern Great Plains (SGP) site from 2004 to 2018. Building on the same input data sets as the conventional continuous forcing data set (VARANAL), VARANAL3D maintains overall consistency in domain‐averaged fields while introducing spatial variability, offering critical insights into the influence of mesoscale synoptic systems on cloud‐related processes. Evaluations are conducted across four cloud and precipitation regimes: Clear‐sky, Shallow‐clouds, Afternoon‐precipitation, and Nocturnal‐precipitation, presenting high consistency of the domain‐mean forcing data sets while emphasizing the role of subdomain forcing variability particularly in precipitating regimes. Single column model (SCM) simulations demonstrate that subdomain VARANAL3D forcing improves cloud and precipitation representation, with the ensemble outperforming domain‐mean forcing in three cloudy and precipitating regimes. Overall, these results highlight VARANAL3D's value for investigating the impacts of spatial variability of large‐scale forcing on atmospheric processes. The VARANAL3D data set provides new opportunities for evaluating model physics, advancing the development of scale‐aware parameterizations and deepening our understanding of cloud and precipitation dynamics.

Environmental sciences↗
DOE OSTI2025

(NH 3 (CH 2 ) 7 NH 3 ) 2 Sn 3 I 10 , a Vacancy-Ordered Three-Dimensional Tin(II) Perovskite-Derived Semiconductor

Ordering vacancies in hybrid Sn(II) halide semiconductors provides a strategy for preventing uncontrolled oxidation and formation of mobile holes. In this study, we report the structure and optical and electronic properties of (NH 3 (CH 2 ) 7 NH 3 ) 2 Sn 3 I 10 , a vacancy-ordered perovskite derivative with three-dimensional inorganic connectivity. The crystal structure resembles that of a Dion–Jacobson layered perovskite derivative, but with [SnI 5 ] square pyramids bridging the layers. UV–vis diffuse reflectance spectroscopy reveals a sharp onset of light absorption at 1.86(1) eV with the photoluminescence emission maximum at 1.90(1) eV. However, the maximum excitation occurs from 3.42 to 3.81 eV (325 to 370 nm), revealing a significant Stokes shift of 1.3 eV. The electronic properties determined from dark and time-resolved microwave conductivity measurements reveal a minimum carrier mobility of 4.3 × 10 –2 cm 2 V –1 s –1 and a maximum carrier density of 5.96 × 10 16 cm –3 , a uniquely low value for a hybrid Sn(II) halide semiconductor. The transport behavior in combination with first-principles calculations of the electronic band structure and dielectric permittivity suggest polaron-mediated electronic transport, yet the photogenerated carriers have a fast and fluence-dependent nonradiative recombination rate, suggestive of localized “defect-like” states at the band edge. The observed photoluminescence is most consistent with single-ion-like behavior of an asymmetric Sn(II) environment. Together, these results suggest that defect ordering presents a strategy for the reduction of mobile charge carriers at equilibrium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Offset-aligned three-dimensional integrated circuit

A three-dimensional integrated circuit includes a first die structure having a first geometry. The first die structure includes a first region that operates with a first power density and a second region that operates with a second power density. The first power density is less than the second power density. The three-dimensional integrated circuit includes a second die structure having a second geometry. A stacked portion of the second die structure is aligned with the first region. The three-dimensional integrated circuit includes an additional die structure stacked with the first die structure and the second die structure. The additional die structure has the first geometry or the second geometry.

Wilkerson, Brett P.↗
DOE OSTI2024

Theoretical design and performance of three-dimensional, pillared FeS 2 cathodes

Three-dimensional (3D) electrode design can provide improved capacities and rate capabilities over conventional two-dimensional electrodes by enhancing electrical and ionic transport. Here, expanding upon our previous modeling efforts for conversion chemistry lithium-ion batteries, we develop a pseudo-four-dimensional (P4D) approach that is subsequently used to investigate the design of a pillared FeS 2 electrode. The model considers transport in three dimensions with an additional “fourth” dimension corresponding to the solid-state lithium transport within the active material particles. Additionally, we allow for expansion of the active material during the conversion reaction to understand how internal stresses impact the electrochemical performance of the cell. By optimizing the model with respect to areal capacity, we are able to predict areal capacities up to 16.8 mAh/cm 2 for an areal current density of 1.78 mA/cm 2 and a 103% improvement for the three-dimensional electrodes over planar electrodes of equal volume. Despite the promising results, our simulations suggest that 3D design may be difficult for conversion cathode materials due to the large internal stresses that arise during conversion. Nevertheless, the model is robust and adaptable to other materials that may be more suitable for 3D electrodes due to a lesser change in volume during discharge.

Conversion cathode materials↗
DOE OSTI2024

Dimensionality crossover to a two-dimensional vestigial nematic state from a three-dimensional antiferromagnet in a honeycomb van der Waals magnet

The effects of fluctuations and disorder, which are substantially enhanced in reduced dimensional-ities, can play a crucial role in producing nontrivial phases of matter such as vestigial orders char-acterized by a composite order parameter. However, fluctuation-driven magnetic phases in low dimensions have remained relatively unexplored. Here we demonstrate a phase transition from the zigzag antiferromagnetic order in the three-dimensional bulk to a Z 3 vestigial Potts-nematicity in two-dimensional few-layer samples of van der Waals magnet NiPS 3 . Our spin relaxometry and op-tical spectroscopy measurements reveal that the spin fluctuations are enhanced over the gigahertz to terahertz range as the layer number of NiPS 3 reduces. Monte Carlo simulations corroborate the experimental finding of 3-fold rotational symmetry breaking, but show that translational symmetry is restored in thin layers of NiPS 3 . Furthermore, our results show that strong quantum fluctuations can stabilize an unconventional magnetic phase after destroying a more conventional one.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Construction of Porous Tetrazine-Functionalized Networks: From Two- to Three-Dimensional Counterparts with Tunable Properties

Porous organic networks (PONs) linked by aza-fused rings are extensively studied and demonstrated wide applications in diverse fields. It is a long-term attractive and challenging subject to explore novel PONs functionalized by unexplored aza-fused moieties. Herein, a series of tetrazine-linked PONs (Tz-PONs) were constructed from two-dimensional to three-dimensional counterparts with tunable properties. The reaction pathway composed of the amidrazone intermediates formation using multiply substituted aromatic nitrile monomers was catalyzed by zinc salts with Lewis super acidity in the presence of hydrazine, and the subsequent tetrazine formation was assisted by sodium nitrite solution. Textural property of the as-constructed scaffolds could be tuned by the acidity of the zinc salts, as well as the organic solvents. As an initial assessment, those Tz-PONs displayed different photo absorption behavior, which may influence the corresponding photocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Design and Control of Three-Dimensional Topological Magnetic Fields Using Interwoven Helical Nanostructures

Three-dimensional (3D) magnetic nanostructures are an emerging platform capable of creating complex topological magnetic fields. The control of localized nanoscale magnetic fields is seen to be of importance for diverse areas from bioapplications such as drug delivery, to particle trapping and controlling Majorana Fermions for quantum computing. Three-dimensional geometric confinement and proximity can create tailor-made spin textures not possible in two dimensions. The control of magnetization afforded here can allow the formation of unique stray field textures. Here, we report the creation of reconfigurable 3D topological magnetic field textures induced by an interwoven 3D nanostructure and applied field protocol. These field textures emerge due to distinct DWs formed in this structure and lead to the creation of an antivortex field, a hexapole cusp and a 3D skyrmion field tube of mixed chirality. In conclusion, our results therefore show a key step toward the design and control of topological magnetic fields on the nanoscale.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Development of electro-optical quantum transducers based on three-dimensional superconducting cavities

Quantum transducers enable the conversion of quantum information and signals between different physical platforms. Based on the pioneering works in three-dimensional superconducting cavity technology developed at Fermilab, we are advancing the development of three-dimensional microwave-optical transducers and exploring their applications in quantum information processing and sensing. We present our progress in the design, fabrication, and characterization of three-dimensional microwave cavities integrated with bulk lithium niobate resonators. The material characterization using three-dimensional cavities based on a resonant-type method allows for understanding of complex permittivity and loss mechanism of electro-optic materials at cryogenic temperatures. We also evaluate the potential of the high-efficiency quantum transducers in enhancing the performance of quantum sensors for applications such as dark matter detection, compared to conventional homodyne detection approaches. This manuscript has been authored by Fermi Research Alliance, LLC under Contract No. DE-AC0207CH11359 with the U.S. Department of Energy, Office of Science, Office of High Energy Physics. This work is funded by the DOE's Early Career Research Program. This research used resources of the U.S. Department of Energy, Office of Science, National Quantum Information Science Research Centers, Superconducting Quantum Materials and Systems Center (SQMS) under Contract No. DE-AC02-07CH11359.

Zorzetti, Silvia↗
DOE OSTI2024

Modeling of Macroscopic Dynamics in Three-Dimensional Plasma Configurations (Final Technical Report)

A numerical simulation-based study to investigate the stability properties of inherently three-dimensional plasma magnetic configurations is presented. These configurations, called stellarators and heliotrons, use external helical coils to provide the twisting magnetic field that is required to confine ionized plasma particles. In contrast to the tokamak configuration, which nominally has the property of axisymmetry, electrical current does not need to be induced in stellarator and heliotron plasma. Experiments have shown that these three-dimensional configurations are remarkably robust to macroscopic instability, even when driven to relatively high levels of plasma pressure. Our understanding of how the plasma is able to withstand macroscopic instability will be enhanced by the work proposed here. The effort will generalize existing numerical modeling capability, and it will apply the new capability to model macroscopic dynamics in these three-dimensional configurations. The development work has been applied to the NIMROD simulation code (https://nimrodteam.org) that was originally based on axisymmetric problem domains. It has been generalized to accommodate the three-dimensional shaping of the plasma volume in stellarators and heliotrons. Its use of equilibrium data has also been generalized, and the implementation allows different numerical representation of the magnetic field. Analysis has been performed to inform the selection of numerical methods, and a method to accelerate the iterative solution of the necessary algebraic systems has been developed and implemented. Verification of the new NIMSTELL code on benchmark problems has also been an important part of the effort.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Additive manufacturing of hierarchical three- dimensional micro-architected aerogels

Disclosed here is a method for making a three-dimensional micro-architected aerogel, comprising: (a) curing a reaction mixture comprising a co-sol-gel material (e.g., graphene oxide (GO)) and at least one catalyst to obtain a crosslinked co-sol-gel (e.g., GO hydrogel); (b) providing a photoresin comprising a solvent, a photoinitiator, a crosslinkable polymer precursor, and a dispersion of the crosslinked co-sol-gel (e.g., GO hydrogel); (c) curing the photoresin using projection microstereolithography layer-by-layer to produce a wet gel having a pre-designed three-dimensional structure; (d) drying the wet gel to produce a dry gel; and (e) pyrolyzing the dry gel to produce a three-dimensional micro-architected aerogel (e.g., graphene aerogel). Also disclosed is a photoresin for projection microstereolithography, comprising a solvent, a photoinitiator, a crosslinkable polymer precursor, and a dispersion of a crosslinked co-sol-gel.

Worsley, Marcus A.↗
DOE OSTI2023

Predicting microstructurally sensitive fatigue‐crack path in WE43 magnesium using high‐fidelity numerical modeling and three‐dimensional experimental characterization

Abstract Microstructurally small fatigue‐crack growth in polycrystalline materials is highly three‐dimensional due to sensitivity to local microstructural features (e.g., grains). One requirement for modeling microstructurally sensitive crack propagation is establishing the criteria that govern crack evolution, including crack deflection. Here, a high‐fidelity finite‐element modeling framework is used to assess the performance and validity of various crack‐growth criteria, including slip‐based metrics (e.g., fatigue‐indicator parameters), as potential criteria for predicting three‐dimensional crack paths in polycrystalline materials. The modeling framework represents cracks as geometrically explicit discontinuities and involves voxel‐based remeshing, mesh‐gradation control, and a crystal‐plasticity constitutive model. The predictions are compared to experimental measurements of WE43 magnesium samples subject to fatigue loading, for which three‐dimensional grain structures and fatigue‐crack surfaces were measured post‐mortem using near‐field high‐energy x‐ray diffraction microscopy and x‐ray computed tomography. Findings from this work are expected to improve the predictive capabilities of simulations involving microstructurally small fatigue‐crack growth in polycrystalline materials.

Engineering↗
DOE OSTI2026

Three-Dimensional Settling Dynamics of Environmental Microplastics

Resolving the three-dimensional settling dynamics of microplastic (MP) particles is essential for developing comprehensive models of MP transport in rivers-both vertically within the water column and laterally across the channel. While previous research has largely examined one-dimensional vertical settling velocities, little is known about the lateral drifting, settling paths, and horizontal velocities of MPs. To address this, we investigated the full three-dimensional settling behavior of environmental MPs collected from rivers and ocean water, as well as from estuarine and ocean sediment. Geometric properties of 127 environmental MPs were quantified by a dynamic particle image analyzer, and their settling trajectories were recorded and reconstructed via a multicamera tracking algorithm. This enabled quantification of a particle's horizontal drift, tortuosity, amplitude and settling pattern, as well as vertical and horizontal velocities. Results showed that spherical MPs settled with minimal lateral displacement, whereas elongated particles, such as rod- and blade-shaped MPs, displayed pronounced lateral movements, reaching up to 65 times their equivalent diameter and averaging more than twice that of spheres. These dynamics suggest that elongated MPs may have a greater probability for wider lateral dispersion in rivers, increasing their likelihood for interactions with riverbanks and channel boundaries compared to more spherical shaped MPs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Linkage Transformations in a Three-Dimensional Covalent Organic Framework for High-Capacity Adsorption of Perfluoroalkyl Substances

Despite their many advantages, covalent organic frameworks (COFs) built from three-dimensional monomers are synthetically difficult to functionalize. Herein, we provide a new synthetic approach to the functionalization of a three-dimensional covalent organic framework (COF-300) by using a series of solid-state linkage transformations. By reducing the imine linkages of the framework to amine linkages, we produced a more hydrolytically stable material and liberated a nucleophilic amino group, poised for further functionalization. We then treated the amine-linked COF with diverse electrophiles to generate a library of functionalized materials, which we tested for their ability to adsorb perfluoroalkyl substances (PFAS) from water. The framework functionalized with dimethylammonium groups, COF-300-dimethyl, adsorbed more than 250 mg of perfluorooctanoic acid (PFOA) per 1 g of COF, which represents an approximately 14,500-fold improvement over that of COF-300 and underscores the importance of electrostatic interactions to PFAS adsorption performance. In conclusion, this work provides a conceptually new approach to the design and synthesis of functional three-dimensional COFs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Real-time observation of toroidal current redistributions induced by three-dimensional MHD phenomena triggering vertical displacement events in tokamak plasmas

Three-dimensional MHD instabilities, including edge-localized modes (ELMs) and internal reconnection events (IREs), have been observed to precipitate loss of vertical stability in tokamak plasmas, resulting in vertical displacement events (VDEs). This vertical destabilization can occur due to toroidal current redistributions and/or shape changes resulting from these phenomena. Using a recently introduced method for rapidly reconstructing the two-dimensional toroidal plasma current density profile in real-time, results are presented that demonstrate the specific current distribution changes that occur during ELMs (on KSTAR) and IREs (on MAST-U) that lead to loss of vertical control. The method most efficiently reconstructs the toroidal current density profile by doing so on a basis of principal components of historical profiles. These principal components isolate dominant current profile dynamics, improving interpretability, increasing speed, and reducing dimensionality of the profile computation. On KSTAR, this computation is executed in the real-time plasma control system at a rate of 10 kHz (limited by available CPU cycle times), allowing the current profile evolution to be assessed at several times over the course of each ELM event. Further, by incorporating the reconstructions into a novel vertical stability metric, the contribution of specific current profile dynamics to the loss of vertical stability can be assessed in real-time for VDE avoidance and improved understanding of the causal relationship between three-dimensional MHD phenomena and VDEs. The success of this method in approximating toroidal current density profiles from kinetic equilibrium reconstructions is also presented ($R^2=0.990$), along with its capability to produce other equilibrium quantities of interest in real-time at high time resolution.

edge-localized modes↗
DOE OSTI2026

Parametric amplification of spin-motion coupling in three-dimensional trapped-ion crystals

Three-dimensional (3D) crystals offer a route to scaling up trapped-ion systems for quantum sensing and quantum simulation applications; however, engineering coherent spin-motion couplings and effective spin-spin interactions in large crystals poses technical challenges associated with decoherence and prolonged timescales to generate appreciable entanglement. Here, we explore the possibility of speeding up these interactions in 3D crystals via parametric amplification. For this purpose, we derive a general Hamiltonian for the parametric amplification of spin-motion coupling that is broadly applicable to normal modes with motion transverse to or along the spatial extent of the crystal. Unlike in lower-dimensional crystals, we find that the ability to faithfully (uniformly) amplify the spin-spin interactions in 3D crystals depends on the physical implementation of the spin-motion coupling. We consider the light-shift gate, and the so-called phase-insensitive and phase-sensitive Mølmer-Sørensen (MS) gates, and we find that only the phase-sensitive MS gate can be faithfully amplified in general 3D crystals. We discuss a situation where nonuniform amplification can be advantageous. We also reconsider the effect of counter-rotating terms on parametric amplification and find that they are not as detrimental as previous studies suggest.

Optical parametric oscillators & amplifiers↗
DOE OSTI2026

Three-dimensional high-content imaging of unstained soft tissue with subcellular resolution using a laboratory-based X-ray microscope

With increasing interest in studying biological systems across spatial scales—from centimeters down to nanometers—histology continues to be the gold standard for tissue imaging at cellular resolution, providing an essential bridge between macroscopic and nanoscopic analysis. However, its inherently destructive and two-dimensional nature limits its ability to capture the full three-dimensional complexity of tissue architecture. Here, we show that phase-contrast X-ray microscopy can enable three-dimensional virtual histology with subcellular resolution. This technique provides direct quantification of electron density without restrictive assumptions, allowing for direct characterization of cellular nuclei in a standard laboratory setting. By combining high spatial resolution and soft tissue contrast, with automated segmentation of cell nuclei, we demonstrated virtual Hematoxylin and Eosin (H&E) staining using machine learning-based style transfer, yielding volumetric datasets compatible with existing histopathological analysis tools. Furthermore, by integrating electron density and the sensitivity to nanometric features of the dark field contrast channel, we achieve stain-free, high-content imaging capable of distinguishing nuclei and extracellular matrix.

3D virtual histology↗
DOE OSTI2024

Three-dimensional ion transport networks and current collectors for electrochemical cells

Provided herein are three-dimensional ion transport networks and current collectors for electrodes of electrochemical cells. Exemplary electrodes include interconnected layers and channels including an electrolyte to facilitate ion transport. Exemplary electrodes also include three dimensional current collectors, such as current collectors having electronically conducting rods, electronically conducting layers or a combination thereof.

Roumi, Farshid↗