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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Challenges in Monte Carlo Event Generator Software for High-Luminosity LHC

Abstract We review the main software and computing challenges for the Monte Carlo physics event generators used by the LHC experiments, in view of the High-Luminosity LHC (HL-LHC) physics programme. This paper has been prepared by the HEP Software Foundation (HSF) Physics Event Generator Working Group as an input to the LHCC review of HL-LHC computing, which has started in May 2020.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Deep Generative Models for Fast Photon Shower Simulation in ATLAS

The need for large-scale production of highly accurate simulated event samples for the extensive physics programme of the ATLAS experiment at the Large Hadron Collider motivates the development of new simulation techniques. Building on the recent success of deep learning algorithms, variational autoencoders and generative adversarial networks are investigated for modelling the response of the central region of the ATLAS electromagnetic calorimeter to photons of various energies. The properties of synthesised showers are compared with showers from a full detector simulation using GEANT4 . Both variational autoencoders and generative adversarial networks are capable of quickly simulating electromagnetic showers with correct total energies and stochasticity, though the modelling of some shower shape distributions requires more refinement. This feasibility study demonstrates the potential of using such algorithms for ATLAS fast calorimeter simulation in the future and shows a possible way to complement current simulation techniques.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Area-based composition predictions of materials fabricated using simultaneous wire-powder-directed energy deposition

Functionally graded materials are an emergent method for designing components with programmable site-specific material properties. These materials are typically fabricated using metal additive manufacturing tools by simultaneously feeding multiple wire and/or powder feedstocks at various rates to achieve spatial composition change. The wire-powder-directed energy deposition (WP-DED) technique is of particular interest for many functionally graded material applications by balancing the low raw materials cost of wire with the high resolution of powder. However, feeding wire and powder are inherently different processes since all extruded wire enters the melt pool, while much of the blown powder is scattered, which makes determining the composition of the build challenging. In this study, we devise a simple area-based measurement method for estimating the composition of WP-DED structures. WP-DED single beads are printed using 309L stainless steel wire and commercially pure Fe powder at five wire feed rates (0.5, 0.75, 1.00, 1.25, 1.50 mm/mm) and five powder feed rates (2, 4, 6, 8, 10 rpm). Characteristic defects including interface gaps and macrosegregation (lack of mixing) tendencies are examined. High powder feed rates (8, 10 rpm) result in interface gaps at all wire feed rates, but smooth deposition and complete mixing is achieved at low powder feed rates, particularly with lower wire feed rates as well. The area-based composition measurement method is within ±20% of energy dispersive x-ray spectroscopy measurements for all samples, showing its effectiveness as a rapid composition estimate for WP-DED materials development.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Gas pore correlations in laser powder bed fusion of Al6061

Additive manufacturing (AM) of metal materials based on powder bed fusion technology is widely used now in many industries. A known limitation of this type of manufacturing is the formation of gas pores in the bulk material. Here we present a combined X-ray imaging and mid-infrared pyrometry study of pore formation in side-by-side tracks of Al6061 for different processing conditions using both in-situ and post-processing analysis. By carefully quantifying the distributions and correlations of pore positions, we show that an existing pore in one track often catalyzes the formation of another pore in an adjacent track. In a raster scan strategy commonly used to construct bulk material, this phenomenon has the result of forming subsurface perforations, or lines of pores transverse to the scanning direction in a rastered patch. If controlled, this effect can be eliminated to improve the yield strength of the build, or exploited to create programmable failures for specific purposes.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Towards gradient multimaterial toolpath generation for direct ink writing with connected fermat spirals

This work describes advances towards a reproducible, parametrically defined algorithm for generating graded multimaterial toolpaths for direct ink writing. Expanding on the existing Fermat space-filling algorithm and coupling with image-driven processing techniques, we demonstrate the fabrication of multimaterial structures. Here, material composition is encoded within toolpaths by parsing hue values from a multi-colored image. By performing dynamic velocity compensation based on local curvature and Euclidean distance filtering, internal voids are mitigated while optimizing print fidelity. Here, the work opens new avenues for designing complex toolpaths with locally programmable composition.

3D Printing↗
DOE OSTI2025

Network of networks: Time series clustering of AmeriFlux sites

Environmental observation networks, such as AmeriFlux, are foundational for monitoring ecosystem response to climate change, management practices, and natural disturbances; however, their effectiveness depends on their representativeness for the regions or continents. We proposed an empirical, time series approach to quantify the similarity of ecosystem fluxes across AmeriFlux sites. We extracted the diel and seasonal characteristics (i.e., amplitudes, phases) from carbon dioxide, water vapor, energy, and momentum fluxes, which reflect the effects of climate, plant phenology, and ecophysiology on the observations, and explored the potential aggregations of AmeriFlux sites through hierarchical clustering. While net radiation and temperature showed latitudinal clustering as expected, flux variables revealed a more uneven clustering with many small (number of sites < 5), unique groups and a few large (> 100) to intermediate (15–70) groups, highlighting the significant ecological regulations of ecosystem fluxes. Many identified unique groups were from under-sampled ecoregions and biome types of the International Geosphere-Biosphere Programme (IGBP), with distinct flux dynamics compared to the rest of the network. At the finer spatial scale, local topography, disturbance, management, edaphic, and hydrological regimes further enlarge the difference in flux dynamics within the groups. Nonetheless, our clustering approach is a data-driven method to interpret the AmeriFlux network, informing future cross-site syntheses, upscaling, and model-data benchmarking research. Finally, we highlighted the unique and underrepresented sites in the AmeriFlux network, which were found mainly in Hawaii and Latin America, mountains, and at under-sampled IGBP types (e.g., urban, open water), motivating the incorporation of new/unregistered sites from these groups.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A framework for estimating the energy-saving potential of occupant behaviour improvement

Energy-related occupant behaviour in buildings has demonstrated considerable energy-saving potential. However, the current modelling method of occupant behaviour does not give sufficient considerations on the implementation difficulty of behaviour and provide a holistic map from survey data to various behaviour models. This article proposes a holistic survey-and-simulation-based framework for estimating the energy-saving potential of occupant behaviour improvement. In the framework, seven typical categories of occupant behaviour models are identified based on the survey results. According to the implementation difficulty, the models are integrated into four behaviour styles (baseline, wasteful, moderate and austere) to represent different levels of energy-saving consciousness of occupants. Based on a case study with a nationwide survey in Singapore, there are remarkable energy savings potential if occupant behaviour is improved; the building energy consumption can be reduced by up to 9.5% with the moderate behaviour improvement, and up to 21.0% with the aggressive behaviour improvement. The simulation results accord well with the measured results within a reasonable range of deviation. The framework can be applied to estimate the energy-saving potential of occupant behaviour improvement in a building with affordable cost, and the findings can inform a behaviour improvement programme with effective and efficient measures.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Advances in benchmarking and round robin testing for PEM water electrolysis: Reference protocol and hardware

While the number of publications in the PEM water electrolysis community increases each year, no common ground concerning reference hardware (test cells and test bench) and testing protocols has been yet established. This would, however, be necessary for the comparability of experimental results. First attempts for such reference hardware and procedures have been made in the framework of the Task 30 Electrolysis within the Technology Collaboration Programme on Advanced Fuel Cells (AFC TCP) of the International Energy Agency (IEA). Since then, improvements of both the test hardware (test cell and components) as well as the measurement protocol were identified, and a revised methodology and key results based on a comprehensive measurement series have been obtained. A detailed protocol for testing commercial reference components with a reference laboratory test cell developed in-house by Fraunhofer ISE is presented. For evaluation of the protocol and the hardware, it was tested at three different institutions at the same time. Impedance spectroscopic and polarization data was acquired and analyzed. The obtained differences in performance were calculated to give the community an expectation window to compare own data to. Finally, the importance of a thorough temperature control and the conditioning phase are demonstrated.

08 HYDROGEN↗
DOE OSTI2023

Experimental investigation of advanced turbine control strategies and load-mitigation measures with a model-scale floating offshore wind turbine system

To advance the control co-design of offshore wind energy systems, the authors perform basin-scale experiments with a fully instrumented and actuated floating offshore wind turbine model. The model consists of a 1:70 scale performance-matched model of the International Energy Agency Wind Technology Collaboration Programme 15-MW reference turbine atop the VolturnUS-S semisubmersible platform. The Reference OpenSource Controller provides real-time blade pitch and generator torque control. Here we aim to develop an open data set for the validation of numerical models in predicting the influence of turbine control and load-mitigation measures. For this purpose, we measure the effects of advanced turbine control features, including peak shaving and floating feedback as well as hull-based control using tuned mass dampers on the system. Overall, the results demonstrate measurable and consistent influences from the control and load-mitigation measures, thus confirming the usefulness as a validation data set. Peak shaving attenuates the response to wind turbulence at near-rated wind speed. Floating feedback reduces the load and platform pitch motion associated with the negative damping induced by blade pitch control. The tuned mass dampers also attenuate the system response near the targeted frequencies under suitable conditions. We also identify detrimental side effects of each load-mitigation measure.

17 WIND ENERGY↗
DOE OSTI2022

Low-power anisotropic molecular electronic memristors

A molecular electronic memristor, programmable resistive memory device, promises to revolutionize next-generation flexible data storage units, offering fast, dense and ultralow power solutions. Here we report anisotropic resistive switching in molecular κ-(BEDT-TTF) 2 Cu[N(CN) 2 ]Cl memristors, consisting of alternatively segregated bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) and Cu[N(CN) 2 ]Cl layers. Electron resistance switching behavior controlled by charge tunneling in molecular memristors show a low set voltage of 0.5 V (10 V/cm) with the ON/OFF ratio of 2.3×10 3 along a-axis and a high-level endurance of 1.25×10 4 cycles along all axes. Finally, the findings of such molecular electronic crystals promise for low-power data storage memristors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Experimental and numerical study of the effects of solution concentration and temperature on concrete under external sulfate attack

The work reports on an experimental programme, conducted to validate comprehensively our previously proposed coupled chemo-transport model for external sulfate attack on concrete. Specifically, the effects of the concentration of sulfate solution and temperature on the distribution of sulfate ions in concrete are experimentally investigated and used to demonstrate the accuracy of the modeling framework. Further, the profile of aluminate depletion and the leaching depth numerically are investigated. For all cases the model predictions are in good agreement with the experimental results, showing increases of the concentration of sulfate ions in concrete with higher concentrations of sulfate solution and higher temperatures. It is concluded that higher sulfate solution concentration and temperature enhance the processes involved in the external sulfate attack on concrete, namely diffusion of sulfate ions and their chemical reactions with concrete. It is found that these parameters affect the external sulfate attack predominantly via the chemical reaction process.

36 MATERIALS SCIENCE↗
DOE OSTI2025

MetaHeart: Metasurface enabled biometrics camouflage

Privacy-invading biometrics monitoring is becoming a prominent security threat as modern sensing systems move to higher operating frequencies (mmWave, sub-THz), increasing sensing resolution and accuracy. As such, developing systems that can protect or obfuscate biometrics from adversarial intrusion becomes pivotal to preserving user privacy. In this work, we develop and implement MetaHeart, a real-time biometrics misinformation system based on reflective, programmable metasurfaces and dynamic phase-front manipulation of radar inferences. MetaHeart’s key goal is to prevent the leakage of a legitimate user’s heartbeat biometrics by spoofing fake heartbeat signals at a malicious, radar-equipped, heart rate sensing intruder. Furthermore, we experimentally demonstrate MetaHeart’s ability to fake Alice’s presence when she is not there and to fool Trudy’s inferences even when Alice is present, achieving an overall accuracy above 98%. Finally, we conduct a robustness analysis to determine MetaHeart’s required spatial placement within the intruder’s monitoring area that would allow for effective spoofing.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

PET waste- and bio-derived imine vitrimers for shape-memory, intrinsic flame-retardant, and recyclable carbon fiber composites

Developing circular multifunctional vitrimers and carbon fiber–reinforced polymers (CFRPs) that are simultaneously recyclable, mechanically robust, and intrinsically flame retardant remains a major challenge. Here, in this study, we report multifunctional vitrimers and their carbon fiber–reinforced vitrimer (CFRV) composites, where the vitrimer design integrates closed-loop recyclability, enhanced interfacial adhesion, and intrinsic flame retardancy within a single materials platform. The vitrimer matrix is synthesized from post-consumer polyethylene terephthalate (PET) waste and a vanillin-derived phosphorus-containing crosslinker, forming an imine-based network. The resulting vitrimer resin exhibits high tensile strength, thermal healability, repeated reprocessability, programmable shape memory, and rapid chemical depolymerization under mild conditions. Amine-functionalized carbon fibers significantly improve fiber–matrix interfacial bonding, yielding CFRVs with tensile strengths up to 789 MPa and complete recovery of structurally intact fibers after chemical recycling. The phosphorus-rich aromatic network further imparts intrinsic flame retardancy, enabling self-extinguishing behavior without external additives. This work advances a materials design paradigm for next-generation multifunctional, sustainable vitrimers and CFRVs, while simultaneously addressing the recycling challenges associated with both plastic and CFRP waste.

Bio-derived crosslinker↗
DOE OSTI2022

Nanoparticles caged with DNA nanostructures

Nanoparticles (NPs) offer many benefits in biotechnology because of their small size and unique properties. Furthermore, many applications require precise positioning of the NPs or biological targeting molecules on their surfaces. DNA cages constructed from DNA tile, origami, or wireframe nanostructures offer a promising path forward because of their simplicity and programmability that can be used to generate complex, dynamic 2D and 3D geometries. Such materials can be used to pattern DNA on NP surfaces and organize NPs into specific supramolecular structures. DNA-caged NPs can be implemented in biosensing and drug delivery applications with cavities precisely designed to encapsulate-specific biomolecules. Ultimately, such approaches provide a springboard for future DNA robot designs that will enable controlled interactions with biological systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Coulombic friction in metamaterials to dissipate mechanical energy

Product designs from a wide range of industries such as aerospace, automotive, biomedical, and others can benefit from new metamaterials for mechanical energy dissipation. In this study, we explore a novel new class of metamaterials with unit cells that absorb energy via sliding Coulombic friction. Remarkably, even materials such as metals and ceramics, which typically have no intrinsic reversible energy dissipation, can be architected to provide dissipation akin to elastomers. The concept is demonstrated at different scales (centimeter to micrometer), with different materials (metal and polymer), and in different operating environments (high and low temperatures), all showing substantial dissipative improvements over conventional non-contacting lattice unit cells. Further, as with other ‘programmable’ metamaterials, the degree of Coulombic absorption can be tailored for a given application. Additionally, an analytic expression is derived to allow rapid first-order optimization. This new class of Coulombic friction energy absorbers can apply broadly to many industrial sectors such as transportation (e.g. monolithic shock absorbers), biomedical (e.g. prosthetics), athletic equipment (e.g. skis, bicycles, etc.), defense (e.g. vibration tolerant structures), and energy (e.g. survivable electrical grid components).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Growth-induced Donnan exclusion influences swelling kinetics in highly charged dynamic polymerization hydrogels

Polymeric gels crosslinked by DNA sequences can exploit DNA strand-displacement reactions to promote swelling through dynamic polymerization. The degree of swelling and the rate of swelling must be directly tunable to achieve the promise of programmable soft matter. Though the kinetics of the strand-displacement reaction provide insertion rates up to 10 4 /Molar/second as measured in bulk solution, DNA hydrogel swelling can take upwards of 30 h to complete. Computational modeling of the reaction-induced swelling of these gels with our recently-developed reactive electrochemomechanical theory (Zimmerman et al., 2024) suggests that their extraordinarily slow swelling is partly due to a scaling mismatch between the addition of charge and the addition of fluid volume, leading to a large transient increase in the fixed charge density. The significant increase in the gel’s fixed charge density, due to the binding of negatively charged DNA, sharply restricts the concentration of mobile hairpins through the phenomenon of Donnan charge exclusion, an effect commonly exploited in nanofiltration applications using polymeric membranes. The scaling problem is overcome when the mean additional swelling provided to the hydrogel by addition of a crosslink is above a critical value, thus the swelling outpaces the charge accumulation, leading the fixed charge density to drop and significantly accelerating the swelling process. This study shows that Donnan exclusion can explain the kinetics of DNA hydrogel swelling, and studies ways to modulate the reaction speed by either modifying the salt concentration or increasing or decreasing the number of base pairs in each DNA sequence.

42 ENGINEERING↗
DOE OSTI2026

Extremized nonlinear and linearized responses in soft metamaterials enabled by gradient-based design and grayscale digital light processing

In this study, we develop a gradient-based design approach that exploits grayscale digital light processing (DLP) 3D printing for extremizing the nonlinear and linearized response of soft metamaterials — materials that harness engineered geometric instabilities to undergo large and programmable changes in configuration. Grayscale DLP approaches modulate local mechanical properties at the pixel scale by tuning the light intensity within a single grayscale image, unlocking an exceptionally large design space. To effectively navigate this space, we develop smooth mappings between local light intensity values and global quantities of interest that characterize the behavior of soft metamaterials. Enabling these smooth mappings are robust and differentiable nonlinear finite element simulations powered by a trust region solver. A PDE-constrained optimization problem is then solved to invert these mappings and produce light intensity distributions that endow the printed part with varying stiffness and flexibility in distinctive regions. It is shown that optimizing the distribution of soft and stiff phases throughout a metamaterial structure results in markedly different buckling and self-contact configurations to drive extremized nonlinear compression and linearized vibration responses. Optimized light intensity distributions are translated to grayscale images and directly used to print soft metamaterial samples, showing remarkable agreement between the buckling and self-contact response in simulated and measured deformed configurations.

Additive manufacturing↗
DOE OSTI2022

Evaluation of integrated daylighting and electric lighting design projects: Lessons learned from international case studies

This article presents and discusses the lessons learned from the monitoring of 25 integrated daylighting and electric lighting international case study projects. The case studies consist of real occupied buildings that have been monitored as part of the International Energy Agency (IEA) SHC Task 61/EBC Annex 77 Programme. The general goal of the case studies was to balance lighting energy use with occupants’ visual and non-visual requirements. This was achieved using innovative solutions for daylighting and electric lighting with advanced controls, but also implementing simple and out-of-the-box strategies. The findings suggest that energy demands for lighting can significantly be reduced by combining sensible daylight provision, efficient lighting sources, and advances in controls. Yet, the effective achievement of project goals requires adequate monitoring, fine-tuning, and verification. The findings also suggest that the adoption of “integrative” lighting – that is, lighting systems that address both visual and non-visual responses – is getting increasingly popular. Catering to non-visual requirements will likely drive further innovation in lighting technology. Currently, there is limited investment available for developing daylighting systems for integrative lighting, and the current related electric strategies often come at the risk of energy rebound effects. Overall, providing daylighting and understanding user requirements are fundamental steps towards achieving quality projects, with potential benefits beyond saving energy.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗