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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Interfacial Assembly and Jamming of Soft Nanoparticle Surfactants into Colloidosomes and Structured Liquids

Nanoparticle surfactant (NPS) offers a powerful strategy to generate all-liquid constructs that integrate the inherent properties of the NPs into 3D architectures. In this report using the co-assembly of fluorescent polymeric nanoparticles and amine-functionalized polyhedral oligomeric silsesquioxane, the assembly and jamming behavior of a new type of NPS at the oil-water interface is uncovered. Unlike "solid" inorganic nanoparticles, "soft" polymeric nanoparticles can reorganize when jammed, leading to a relaxation and deformation of the interfacial assemblies, for example, the 3D printed sugar-coated haw stick-like liquid tubules. With NPS serving as emulsifiers, stable Pickering emulsions are prepared that can be converted into robust colloidosomes with pH responsiveness, showing numerous potential applications for encapsulation and controlled release.

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

Analysis of RF Sheath-Driven Tungsten Erosion at RF Antenna in the WEST Tokamak

This study applies the newly developed STRIPE (Simulated Transport of RF Impurity Production and Emission) framework to analyze tungsten (W) erosion at RF antenna structures in the WEST tokamak. STRIPE integrates SolEdge3x for edge plasma backgrounds, COMSOL for 3D RF sheath potentials, RustBCA for sputtering yields, and GITR for impurity transport and ion energy–angle distributions. Building on prior work by Kumar et al. (2025) Nuclear Fusion, 65, 076039, which validated STRIPE for WEST ICRH discharge #57877, the present study provides a spatially resolved assessment of gross W erosion at both Q2 antenna limiters under ohmic and ICRH conditions. Simulations using 2D SolEdge3x profiles in COMSOL capture rectified sheath potentials exceeding 300 V, leading to strong upper-limiter localization. Both poloidal and toroidal asymmetries are observed and attributed to RF sheath effects, with modeled erosion patterns deviating from experiment—highlighting sensitivity to sheath geometry and plasma resolution. Erosion is driven primarily by high-charge-state oxygen ions (O6+–O8+), while D+ plays a negligible role. Assuming a plasma composition of 1% oxygen and 98% deuterium, STRIPE predicts a 30-fold increase in gross W erosion from ohmic to ICRH phases, consistent with a >25-fold rise in W-I (400.9 nm) brightness. Quantitative agreement is within 5% in the ohmic phase and 30% under ICRH, demonstrating predictive capability. Importantly, the study shows that the magnitude of ICRH-driven W erosion depends strongly on the concentration of light impurities (O, B, N, C), which drive sputtering through high charge states. Cleaner plasma conditions with reduced impurity content are therefore expected to substantially mitigate antenna W sources in WEST and other toroidal fusion devices. These findings establish STRIPE as a predictive framework for RF-induced plasma–material interactions and support its application to reactor-scale antenna design.

Kumar, Atul [ORNL] (ORCID:0000000277475210)↗
DOE OSTI2026

Robust Containment Queries over Collections of Trimmed NURBS Surfaces via Generalized Winding Numbers

Here, we propose a containment query that is robust to the watertightness of regions bound by trimmed NURBS surfaces, as this property is difficult to guarantee for in-the-wild CAD models. Containment is determined through the generalized winding number (GWN), a mathematical construction that is indifferent to the arrangement of surfaces in the shape. Applying contemporary techniques for the 3D GWN to trimmed NURBS surfaces requires some form of geometric discretization, introducing computational inefficiency to the algorithm and even risking containment misclassifications near the surface. In contrast, our proposed method leverages properties of the 3D solid angle to solve the relevant surface integral using a boundary formulation with rapidly converging adaptive quadrature. Batches of queries are further accelerated by memoizing (i.e., caching and reusing) quadrature node positions and tangents as they are evaluated. We demonstrate that our GWN method is robust to complex trimming geometry in a CAD model, and is accurate up to arbitrary precision at arbitrary distances from the surface. The derived containment query is therefore robust to model non-watertightness while respecting all curved features of the input shape.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Integrated freeform optical couplers

Reflecting light beams off of microscale three-dimensional (3D) freeform surfaces can yield highly efficient coupling into and out of optical waveguides, optical fibers, and photonic chips. The structure of the 3D freeform reflective surface determines the shape of the reflected beam. This allows freeform reflectors to control the mode profile, rotation angle, and divergence angle of light beams. Control of beam shape enables mode matching between source output mode and target input mode, which results in low-loss optical coupling. An inventive freeform reflective surface can direct light beams in plane or out of plane via specular reflection or total internal reflection. A photonic integrated circuit with this type of freeform optical coupler can operate with a bandwidth range of at least 400 nm, potentially encompassing all visible or telecommunications wavelengths, and can be volume manufactured in photonic chips.

Yu, Shaoliang↗
DOE OSTI2023

Three-dimensional atomic structure and local chemical order of medium- and high-entropy nanoalloys

Medium- and high-entropy alloys (M/HEAs) mix several principal elements with near-equiatomic composition and represent a model-shift strategy for designing previously unknown materials in metallurgy, catalysis and other fields. One of the core hypotheses of M/HEAs is lattice distortion, which has been investigated by different numerical and experimental techniques. However, determining the three-dimensional (3D) lattice distortion in M/HEAs remains a challenge. Moreover, the presumed random elemental mixing in M/HEAs has been questioned by X-ray and neutron studies, atomistic simulations, energy dispersive spectroscopy and electron diffraction, which suggest the existence of local chemical order in M/HEAs. However, direct experimental observation of the 3D local chemical order has been difficult because energy dispersive spectroscopy integrates the composition of atomic columns along the zone axes and diffuse electron reflections may originate from planar defects instead of local chemical order. Here, in this work, we determine the 3D atomic positions of M/HEA nanoparticles using atomic electron tomography and quantitatively characterize the local lattice distortion, strain tensor, twin boundaries, dislocation cores and chemical short-range order (CSRO). We find that the high-entropy alloys have larger local lattice distortion and more heterogeneous strain than the medium-entropy alloys and that strain is correlated to CSRO. We also observe CSRO-mediated twinning in the medium-entropy alloys, that is, twinning occurs in energetically unfavoured CSRO regions but not in energetically favoured CSRO ones, which represents, to our knowledge, the first experimental observation of correlating local chemical order with structural defects in any material. We expect that this work will not only expand our fundamental understanding of this important class of materials but also provide the foundation for tailoring M/HEA properties through engineering lattice distortion and local chemical order.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Artificial intelligence velocimetry and microaneurysm-on-a-chip for three-dimensional analysis of blood flow in physiology and disease

Significance Microfluidics is an important in vitro platform to gain insights into mechanics of blood flow and mechanisms of pathophysiology of human diseases. Extraction of 3D fields in microfluidics with dense cell suspensions remains a formidable challenge. We present artificial-intelligence velocimetry (AIV) as a general platform to determine 3D flow fields and a microaneurysm-on-a-chip to simulate blood flow in microaneurysms in patients with diabetic retinopathy. AIV is built on physics-informed neural networks that integrate seamlessly 2D images from microfluidic experiments or in vivo observations with physical laws to estimate full 3D velocity and stress fields. AIV could be integrated into imaging technologies to automatically infer key hemodynamic metrics from in vivo and in vitro biomedical images.

42 ENGINEERING↗
DOE OSTI2024

Leveraging generative AI for urban digital twins: a scoping review on the autonomous generation of urban data, scenarios, designs, and 3D city models for smart city advancement

The digital transformation of modern cities by integrating advanced information, communication, and computing technologies has marked the epoch of data-driven smart city applications for efficient and sustainable urban management. Despite their effectiveness, these applications often rely on massive amounts of high-dimensional and multi-domain data for monitoring and characterizing different urban sub-systems, presenting challenges in application areas that are limited by data quality and availability, as well as costly efforts for generating urban scenarios and design alternatives. As an emerging research area in deep learning, Generative Artificial Intelligence (GenAI) models have demonstrated their unique values in content generation. This paper aims to explore the innovative integration of GenAI techniques and urban digital twins to address challenges in the planning and management of built environments with focuses on various urban sub-systems, such as transportation, energy, water, and building and infrastructure. The survey starts with the introduction of cutting-edge generative AI models, such as the Generative Adversarial Networks (GAN), Variational Autoencoders (VAEs), Generative Pre-trained Transformer (GPT), followed by a scoping review of the existing urban science applications that leverage the intelligent and autonomous capability of these techniques to facilitate the research, operations, and management of critical urban subsystems, as well as the holistic planning and design of the built environment. Based on the review, we discuss potential opportunities and technical strategies that integrate GenAI models into the next-generation urban digital twins for more intelligent, scalable, and automated smart city development and management.

3D city modeling↗
DOE OSTI2026

Three-Dimensional Grid Visualization for Planning Activities: A Dubai Case Study

National Laboratory of the Rockies (NLR), in collaboration with the Dubai Electricity and Water Authority (DEWA) and Infra-X, has undertaken the Energy Visualization Analysis Project. The aim of this project is to enhance analytical and 3D visualization capabilities for distribution network planning and renewable energy integration. As modern grid continues to evolve with large-scale solar PV deployment and emerging distributed energy resources (DERs), the ability to effectively analyze, visualize, and communicate complex grid behaviors has become increasingly critical. The project focuses on developing empirical use cases based on real distribution feeder data and engineering workflows, ensuring the outcomes are directly aligned with operational environment. Through time-series power flow simulations and nodal hosting capacity analysis, the study quantifies the impacts of high PV penetration on voltage and thermal limits within representative 11 kV feeders. These analyses identify specific nodes and conditions where DER integration challenges arise. Furthermore, a Battery Energy Storage System (BESS) optimization algorithm was applied to determine the optimal size and placement of storage systems that can mitigate network constraints and enhance hosting capacity. The comparative results between base-case and BESS-augmented scenarios clearly demonstrate improvements in network stability and load management efficiency. In parallel, the NLR team developed an immersive 3D visualization framework, enabling interactive exploration of grid simulations using commodity head-mounted display (HMD) systems. This framework transforms conventional 2D simulation data into spatially intuitive visual environments - allowing engineers to analyze feeder conditions, PV hosting potential, and BESS effects in real time. This report represents the first foundational phase in establishing a visualization-driven analytical ecosystem. It provides a methodological foundation for data integration, visualization architecture, and simulation-based decision support, paving the way for large-scale adoption of immersive visualization across DEWA's Smart Grid Initiative, R&D activities, and future network resilience studies.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Battery anode design: From 1D nanostructure to 3D nanoarchitecture – Enabling next-generation energy storage technology

Recently, many studies have reported the efficacy of 1D silicon nanostructures as anode materials (mostly nanowires) due to their large surface to volume ratio which could be an advantage in terms of charging kinetics. Anode design is a crucial factor for the further development of lithium-ion battery (LIB) technology, especially in terms of achieving the high charging rate performance, as typically needed in electric vehicles (EV). 3D nanostructures have been identified as the key to dramatically enhanced charging rate of LIB, in addition to the change of materials (from carbon-based anode to silicon-based). However, existing fabrication methodologies for 3D nanostructures are inherently expensive – using advanced lithography techniques or other nanopatterning methodologies, as well as using additive manufacturing approaches. Electrospinning (as an integrated additive manufacturing methodology) may be used to produce low-cost 3D-printed fiber structures. Here, in the present study, we demonstrate the groundwork in this field of research in the past 3–4 years, which would allow the extension of this special additive manufacturing approach to reach nanoscale 3D-printed fiber structures more economically and with scalability for manufacturing. This would pave the way to achieve the order of magnitude increase in battery charging rate as needed to realize the vision of the electrification of mobility/transportation.

25 ENERGY STORAGE↗
DOE OSTI2023

Grid Resilient, Self-Powered, Fuel Flexible, High Efficiency Heating System (Final Report)

The Grid Independent High Efficiency System (GIHES) delivers a heating system that operates free from the power grid and provides ultra-low emissions and high efficiency heating for residential and commercial buildings. The project demonstrated two weeks of continuous grid independent operation of a storage water heater equipped with a powered damper. The Thermoelectric Generator (TEG) integrated GIHES technology revolutionizes heating systems to provide grid resilient hot water production, while delivering significant value to the end user by eliminating impacts of power interruption and enhancing comfort, convenience and productivity. The system maximizes the thermal-to-electric conversion efficiency by optimizing location and orientation of the TEGs and durability while lowering system costs. The TEGs generate enough power to charge a battery and run the storage water heater unit with a powered damper uninterrupted by providing the required parasitic electrical power for start-up, shutdown and during idling. Several TEGs were analytically and experimentally evaluated based on the size, surface area and the power being generated before designing and fabricating a complete multi-TEG assembly for integration with the water heater. The GIHES technology can be extended to boilers, furnaces and tankless water heaters and integrated with heat pump to further increase the overall equipment efficiency. The technology has the potential to reduce the amount of dispatch power and peak power plant operation. An advanced burner was designed, developed and 3D printed for fuel flexible operation. The burner was designed to enable tighter integration with TEGs for potentially higher TEG output, should this be necessary. A bench-scale test rig to perform testing of a 200,000 Btu/h burner and capable of handling up to 10% H2 (by volume) was setup at GTI’s laboratory with appropriate safety and controls to ensure smooth and safe operation. Testing of the 3D burner showed < 5 ppm NOx emissions can be achieved for the entire firing range and with different levels of hydrogen blends with natural gas. The burner will enable a more integrated TEG-burner module design for improved system performance, should this be required in the future. Techno-economic analysis (TEA) of the TEG integrated with the water heaters was performed. The testing data and the power output were used to develop the TEA. The analysis for the storage unit with damper showed that the TEG integrated system costs $95. This is much lower than a one-time charge needed to wire and install dedicated power. Discussions with TEG manufacturers and OEM’s will provide more detailed information and methods to further lower these costs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Signal-to-noise improvement through neural network contour deformations for 3D $SU(2)$ lattice gauge theory

Complex contour deformations of the path integral have been demonstrated to significantly improve the signal-to-noise ratio of observables in previous studies of two-dimensional gauge theories with open boundary conditions. In this work, new developments based on gauge fixing and a neural network definition of the deformation are introduced, which enable an effective application to theories in higher dimensions and with generic boundary conditions. Improvements of the signal-to-noise ratio by up to three orders of magnitude for Wilson loop measurements are shown in $SU(2)$ lattice gauge theory in three spacetime dimensions.

Detmold, William↗
DOE OSTI2020

Glass 3D Printing of Microfluidic Pressure Sensor Interrogated by Fiber-Optic Refractometry

This letter reports a novel fused silica microfluidic device with pressure sensing capability that is fabricated by integrated additive and subtractive manufacturing (IASM) method. The sensor consists of a capillary and a 3D printed glass reservoir, where the reservoir volume change under pressure manifests liquid level deviation inside the capillary, thus realizing the conversion between small pressure change into large liquid level variation. Thanks to the design flexibility of this unique IASM method, the proposed microfluidic device is fabricated with liquid-in-glass thermometer configuration, where the reservoir is sealed following a novel 3D printing assisted glass bonding process. And liquid level is interrogated by a fiber-optic sensor based on multimode interference (MMI) effect. This proposed microfluidic device is attractive for chemical and biomedical sensing because it is flexible in design, and maintains good chemical and mechanical stability, and adjustable sensitivity and range.

42 ENGINEERING↗
DOE OSTI2023

Natural Fracture Pattern Development Using 3D Coupled Numerical Model: Mechanics and Diagenesis

In the earth's crust, while tectonic processes can mechanically create natural fractures, cementation can simultaneously grow on the surfaces of the fractures. This crystallization can affect the growth of the fractures. To more accurately address the modeling of natural fracture development, both mechanical deformation and chemical diagenesis should be carried out in an integrated manner. Here, we achieve this with a three-dimensional (3D) simulator that couples mechanical and chemical processes for natural fracture pattern development in layer confined situations. Tectonic loading over geologic time is mimicked by displacement driven boundary conditions in a 3D displacement discontinuity method (DDM) scheme. Quartz diagenesis competes with mechanical fracture opening, resulting in three different cementation conditions - open, bridging or fully infilled – which define fracture element stiffness that is used as feedback within the 3D-DDM code during propagation. An important milestone of this work is that this coupled structural diagenetic model can reproduce power-law aperture population statistics which cannot be generated using mechanics alone. More accurately estimated mechanical fracture apertures and their cementation condition is a critical step toward better permeability estimation and fluid path analysis for subsurface reservoirs.

58 GEOSCIENCES↗
DOE OSTI2021

Revealing meso-structure dynamics in additive manufacturing of energy storage via operando coherent X-ray scattering

3D printing is an emerging technology for the fabrication of energy storage devices, offering advantages over traditional manufacturing methods. However, optimization and design of such devices requires an understanding of the meso-structure formation during the 3D printing process. This study utilizes operando coherent X-ray scattering, X-ray Photon Correlation Spectroscopy (XPCS), to study the spatiotemporally-resolved far-from-equilibrium dynamics during direct ink writing 3D printing. Here, Lithium Titanate (LTO) based ink is prepared and rheologically tested for its shear-thinning properties. Two-time intensity-intensity functions are calculated to be used in subsequent quantitative analysis, which allows for an overall characterization of the dynamics, description of an initial fast decorrelation and identification of sudden rearrangements of subdomains of the sample. The results show the dynamics to be anisotropic, spatiotemporally heterogenous and marked by distinct rearrangement events, all of which impact the electrochemical performance of energy storage devices. The studied 3D printing ink is used to fabricate electrodes which are then electrochemically tested, showing good performance in cycling and retaining structural integrity. This work furthers the understanding of the far-from-equilibrium material dynamics during 3D printing, giving quantitative characterization of this process, and highlights aspects of structure formation relevant to the electrochemical performance of the resultant energy storage device.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Integrated ELM and divertor power flux control using RMPs with low input torque in EAST in support of the ITER research plan

Experiments have been carried out at the EAST tokamak to study ITER-relevant scenario integration issues, related to edge localized mode (ELM) control in H-mode plasmas by the application of three-dimensional (3D) resonant magnetic perturbations (RMPs), which have a large impact on the execution of the ITER research plan. The EAST experiments have successfully demonstrated ELM suppression at normalized torque inputs similar to ITER. The application of RMP fields with high toroidal mode number (n = 4) reduces the impact of ELM control on energy and particle confinement compared to those use lower n (n = 1, 2) RMPs. Injection of successive pellets is found to be effective in increasing the plasma density in ELM-suppressed H-modes and reducing the divertor power without triggering large ELMs at EAST. Access to high recycling and radiative divertor conditions while maintaining ELM suppression has been demonstrated in EAST by the use of gas fuelling and neon impurity seeding. Both approaches have been found to be effective in reducing power fluxes to the divertor strike points in near-separatrix lobes for both n = 2 and n = 4 RMPs. Furthermore, reduction of power fluxes in off-separatrix lobes is only effective for n = 4 RMP application, which is consistent with magnetic topology modelling (including plasma response) results showing a shallow penetration into the confined plasma region of field lines connected to these lobes compared to n = 2. The EAST results support the use of high n 3D fields for ELM suppression in ITER high Q DT scenarios since they provide optimum integration features regarding energy and particle confinement, pellet fuelling, radiative divertor operation while eliminating ELM transient power loads and being compatible with low torque input.

pellet fuelling↗
DOE OSTI2026

Spatiotemporal 4D Whole-cell Modeling of a Minimal Autotroph Reveals Central Carbon Metabolism Regulated Locally by Protein Megacomplexes via Post-translational Modifications under Light Disturbance

Photosynthetic microorganisms rely on multiple pathways in central carbon metabolism to adapt to fluctuating light and energy availability across diel cycles. Mechanistic insight into the regulatory dynamics of this adaptation requires integrating processes spanning disparate timescales, from rapid redox-dependent post-translational modifications (PTMs) to slower changes in protein expression and metabolic pathway usage. To address this complexity beyond genome-based inference and traditional modeling, we develop a whole-cell four-dimensional (3D + time) model of the marine cyanobacterium Prochlorococcus marinus MED4 that explicitly represents the spatial organization of enzymatic and molecular processes in central carbon metabolism under light perturbation. We employ a perturbation-based research design to experimentally generate time-series, multi-omics measurements that provide molecular descriptors and cryo-ET derived 3D segmented volumes as constraints for this dynamic 4D framework. The integration of experiments and modeling across defined light regimes enables quantitative validation of system-level responses and forecasting under distinct light disturbances. We test the hypothesis that light-dependent redox PTMs regulating the structural assembly of a protein megacomplex, the “dark complex,” modulate metabolic flux at a conserved regulatory node of the Calvin–Benson cycle (CBC) in cyanobacteria. Our model shows that subcellular spatial organization buffers rapid light-induced changes in thylakoid reaction rates, which are followed by redox-PTM-mediated sequestration or release of CBC enzymes in the dark complex, ultimately impacting carbon fixation dynamics within carboxysomes. Comparison with an equivalently parameterized well-mixed stochastic model demonstrates that post-translational regulation not only buffers transcriptional noise and diffusion-driven fluctuations but also stabilizes phenotypic outcomes, underscoring the importance of spatial heterogeneity in phenotypic robustness. This ability to probe adaptive, spatiotemporally resolved mechanisms in photosynthetic machinery and central carbon metabolism addresses a critical gap in genotype-to-phenotype inference and expands modeling and design capabilities for understudied or genetically intractable autotrophs such as P. marinus MED4.

Johnson, Connah G.↗
DOE OSTI2021

A predictive modeling tool for damage analysis and design of hydrogen storage composite pressure vessels

In this study, a predictive modeling tool is developed for damage analysis and design of hydrogen (H 2 ) storage composite pressure vessels. It integrates micromechanics of matrix cracking into a continuum damage mechanics (CDM) description for damage evolution, and three-dimensional (3D) finite element (FE) modeling of the vessel structural response. At the scale of the composite layer (mesoscale), the temperature-dependent stiffness reduction law in terms of the damage variable for transverse matrix cracking is computed using an Eshelby-Mori-Tanaka approach for the initial composite thermoelastic properties and a self-consistent model for the stiffness reduction as a function of the damage variable. While transverse matrix cracking obeying a damage evolution relation can progressively evolve from an initiation to a saturation state, fiber failure is predicted by a micromechanical fiber rupture criterion that accounts for the fiber strength and matrix stress. The implementation of this integrated multiscale modeling model into a 3D FE formulation enables damage analysis and design of H 2 storage composite pressure vessels. The developed tool is illustrated through 3D damage analyses of a cryogenically compressed H 2 storage vessel model subjected to thermomechanical loadings to investigate effects of the helical layer fiber orientation and loading scenario on damage development, vessel integrity and burst pressure.

08 HYDROGEN↗
DOE OSTI2024

First Demonstration of Vertical 2T-nC FeRAM Hybrid Cell and its Scalability for High-Density 3D Ferroelectric Capacitor Memory

In this article, we perform a comprehensive experimental and modeling study into the scaling of vertical 2T-nC ferroelectric random-access memory (FeRAM) hybrid cell to demonstrate a high performance and high-density 3D capacitor memory. We demonstrate: i) first time successful integration of the vertical 2T-3C FeRAM cell by stacking the vertical metal-ferroelectricmetal (MFM) stack on top of Si CMOS transistors; ii) successful experimental operation of the memory cell, including the quasi-nondestructive read out (QNRO) of the polarization without write back after 106 read cycles; iii) the write bit line (WBL) heavily screens the coupling between neighboring strings, making it a minor concern; V ) aggressive stacking of the WBLs, i.e., number of MFMs in a string, could facilitate the self-boosting during write operation due to ferroelectric linear capacitance (CFE), which allows self-boosted inhibition for Vw/2 scheme and worsens the Vw/3 scheme as disturb increases to intolerable 2Vw/3; v) aggressive horizontal scaling significantly increases the read disturb to cells on neighboring planes due to capacitance between two WBLs (Cz).

42 ENGINEERING↗