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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Thermal power plant upgrade via a rotating detonation combustor and retrofitted turbine with optimized endwalls

Over the past decade, pressure gain combustion research has promised over 10 percentage-points of increase in power plant thermal efficiency. Alas, to realize such potential gain, one must effectively couple the turbine with the detonation combustor, whose exhaust conditions differ substantially from current state of the art gas turbines. This paper presents a modeling approach that enables a superior thermodynamic cycle with a rotating detonation combustor and a retrofitted gas turbine by including a diffuser downstream of the combustor and by contouring the turbine endwall, while preserving the airfoil geometry. We propose a multi-step optimization strategy, parametrizing the endwall geometry with a few control points, without altering the airfoil geometry, and with the stage turbine efficiency as objective function. In a first step the turbine performance is assessed with steady inlet conditions by solving the steady three-dimensional Reynolds-Averaged Navier-Stokes equations. In a second step, the inlet conditions are unsteady, as predicted from a detonation combustor and a diffuser, and three-dimensional full unsteady simulations are performed with an unsteady Reynolds-Averaged Navier-Stokes solver. By altering the vane endwall, the steady optimization yielded an efficiency increase of 12% relative to the baseline, while the unsteady optimization resulted in 21% increase compared to the datum turbine. Finally, a full engine analysis demonstrated the superiority of pressure gain combustion which included a realistic thermodynamic cycle of the combustor, the diffuser and the optimized turbine components.

42 ENGINEERING↗
DOE OSTI2022

Structure of the thermal boundary layer in turbulent channel flows at transcritical conditions

Enhanced fluctuations, steep gradients, and intensified heat transfer are characteristics of wall-bounded turbulence at transcritical conditions. Although such conditions are prevalent in numerous technical applications, the structure of the thermal boundary layer under realistic density gradients and heating conditions remains poorly understood. Specifically, statistical descriptions of the temperature field in such flows are provided inconsistently using existing models. To address this issue, direct numerical simulations are performed by considering fully developed transcritical turbulent channel flow at pressure and temperature conditions that cause density changes of a factor of up to $O(20)$ between the hot and cold walls. As a consequence of the proximity of the Widom line to the hot wall, significant asymmetries are observed when comparing regions near the cold wall and near the hot wall. Previous transformations that attempt to collapse the near-wall mean temperature profiles among different cases to a single curve are examined. By addressing model deficiencies of these transformations, a formulation for an improved mean temperature transformation is proposed, with appropriate considerations for real fluid effects that involve strong variations in thermodynamic quantities. Our proposed transformation is shown to perform well in collapsing the slope of the logarithmic region to a single universal value with reduced uncertainty. Coupled with a predictive framework to estimate the non-universal shift parameter of the logarithmic region using a priori information, our transformation provides an analytic profile to model the near-wall mean temperature. These results thus provide a framework to guide the development of models for wall-bounded transcritical turbulence.

42 ENGINEERING↗
DOE OSTI2024

Proceedings of the 2024 Advancing Chemical Safety and Security Education Symposium at the 27th IUPAC International Conference on Chemistry Education

The inaugural Advancing Chemical Safety and Security Education symposium was held at the 27th IUPAC International Conference on Chemistry Education (ICCE2024). Speakers showcased innovative strategies for seamlessly integrating security concepts into established safety programs, addressing specific needs of diverse academic institutions, and evaluating the effectiveness of different pedagogical approaches. Here, this proceedings publication encapsulates insights from 11 oral presentations, 12 poster presentations, and panel discussions including key recommendations for future advancements in educating chemical safety and security education for academic and industry audiences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Structural and Optical Response of Polymer-Stabilized Blue Phase Liquid Crystal Films to Volatile Organic Compounds

Engineering useful mechanical properties into stimuli-responsive soft materials without compromising their responsiveness is, in many cases, an unresolved challenge. For example, polymer networks formed within blue-phase liquid crystals (BPs) have been shown to form mechanically robust films, but the impact of polymer networks on the response of these soft materials to chemical stimuli has not been explored. In this work, we report on the response of polymer-stabilized BPs (PSBPs) to volatile organic compounds (VOCs, using toluene as a model compound) and compare the response to BPs without polymer stabilization and to polymerized nematic and cholesteric phases. We find that PSBPs generate an optical response to toluene vapor (change in reflection intensity under crossed polars) that is sixfold greater in sensitivity than the polymerized nematic or cholesteric phases and with a limit of detection (140 ± 10 ppm at 25 °C) that is relevant to the measurement of permissible exposure limits for humans. Additionally, when compared to BPs that have not been polymerized, PSBPs respond to a broader range of toluene vapor concentrations (5000 vs <1000 ppm) over a wider temperature interval (25–45 vs 45–53 °C). We place these experimental observations into the context of a simple thermodynamic model to explore how the PSBP response reflects the effect of toluene on competing contributions of double-twisted LC cylinders, disclinations, and polymer network to the free energy that controls the PSBP lattice spacing. Overall, we conclude that the mechanical and thermal stability of PSBPs, when combined with their optical responsiveness to toluene, make this class of self-supporting LCs a promising one as the basis of passive and compact (e.g., wearable) sensors for VOCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Polyacrylonitrile Composites of Ag–Al–Si–O Aerogels and Xerogels as Iodine and Iodide Sorbents

Mechanically robust engineered sorbents were constructed by embedding Ag-loaded aerogels or xerogels in a polyacrylonitrile (PAN) matrix at 30 or 50 mass% loadings of gel in PAN. Here, the process for making the base gels as well as the composite materials is described herein, a technology that is very flexible for making hybrid sorbents using various inorganic or organic active sorbents. The PAN-gel composite materials were evaluated for iodine uptake in the form of gaseous iodine [I 2(g) ] at room temperature and at 150°C as well as iodide (I – ) at room temperature from simulated liquid nuclear wastes. The composites show high I 2(g) uptake and high I – uptake (= 93 mass%) in simulated liquid secondary waste spiked with 5 mg L -1 I – . These results demonstrate the utility of such a composite form for iodine removal from contaminated gas and liquid streams.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Intercalation-Engineered Out-of-Plane Polarized van der Waals Ferromagnetic Superlattice with Room-Temperature Néel-Type Skyrmions

Superlattices (SLs) based on two-dimensional (2D) van der Waals (vdW) materials, abbreviated as 2D-SLs, have garnered significant attention due to their customizable properties. 2D-SLs can be engineered by mechanical stacking or chemical intercalation to achieve diverse forms of symmetry breaking, resulting in exotic phenomena like the quantum anomalous Hall effect and topological magnetism. Hitherto, broken symmetries in 2D-SLs have been widely produced within lateral planes or three dimensions. However, symmetry breaking along the vertical direction, specifically as an out-of-plane one-dimensional (1D) polarized superlattice, has not yet been achieved. Here, in this paper, we report a so far unseen out-of-plane 1D polarized vdW ferromagnetic superlattice achieved through an approach of two-step intercalation and de-embedding of chromium (Cr)-based 2D vdW magnets. The off-centering polarization of both intrinsic and intercalated Cr atoms in this (1 × 1 × 2) superstructure breaks the mirror symmetry vertically, yielding a Dzyaloshinskii–Moriya interaction (DMI). This results in high-density Néel-type magnetic skyrmions over a broad temperature range. Notably, sub-100 nm Néel-type skyrmions at room temperature (RT) can be achieved by tuning the Cr intercalation ratio, marking the first binary compound RT Néel-type skyrmionic vdW magnet. Our work expands the 2D-SL family with a class of out-of-plane 1D polarized ferromagnetic superlattice with tunable topological magnetism.

1D polarized superlattice↗
DOE OSTI2021

Soft elasticity optimises dissipation in 3D-printed liquid crystal elastomers

Soft-elasticity in monodomain liquid crystal elastomers (LCEs) is promising for impact-absorbing applications where strain energy is ideally absorbed at constant stress. Conventionally, compressive and impact studies on LCEs have not been performed given the notorious difficulty synthesizing sufficiently large monodomain devices. Here, we use direct-ink writing 3D printing to fabricate bulk (>cm 3 ) monodomain LCE devices and study their compressive soft-elasticity over 8 decades of strain rate. At quasi-static rates, the monodomain soft-elastic LCE dissipated 45% of strain energy while comparator materials dissipated less than 20%. At strain rates up to 3000 s –1 , our soft-elastic monodomain LCE consistently performed closest to an ideal-impact absorber. Drop testing reveals soft-elasticity as a likely mechanism for effectively reducing the severity of impacts – with soft elastic LCEs offering a Gadd Severity Index 40% lower than a comparable isotropic elastomer. Lastly, we demonstrate tailoring deformation and buckling behavior in monodomain LCEs via the printed director orientation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Controlling process instability for defect lean metal additive manufacturing

The process instabilities intrinsic to the localized laser-powder bed interaction cause the formation of various defects in laser powder bed fusion (LPBF) additive manufacturing process. Particularly, the stochastic formation of large spatters leads to unpredictable defects in the as-printed parts. Here we report the elimination of large spatters through controlling laser-powder bed interaction instabilities by using nanoparticles. The elimination of large spatters results in 3D printing of defect lean sample with good consistency and enhanced properties. We reveal that two mechanisms work synergistically to eliminate all types of large spatters: (1) nanoparticle-enabled control of molten pool fluctuation eliminates the liquid breakup induced large spatters; (2) nanoparticle-enabled control of the liquid droplet coalescence eliminates liquid droplet colliding induced large spatters. The nanoparticle-enabled simultaneous stabilization of molten pool fluctuation and prevention of liquid droplet coalescence discovered here provide a potential way to achieve defect lean metal additive manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The interplay between vapour, liquid, and solid phases in laser powder bed fusion

The capability of producing complex, high performance metal parts on demand has established laser powder bed fusion (LPBF) as a promising additive manufacturing technology, yet deeper understanding of the laser-material interaction is crucial to exploit the potential of the process. By simultaneous in-situ synchrotron x-ray and schlieren imaging, we probe directly the interconnected fluid dynamics of the vapour jet formed by the laser and the depression it produces in the melt pool. The combined imaging shows the formation of a stable plume over stable surface depressions, which becomes chaotic following transition to a full keyhole. We quantify process instability across several parameter sets by analysing keyhole and plume morphologies, and identify a previously unreported threshold of the energy input required for stable line scans. The effect of the powder layer and its impact on process stability is explored. These high-speed visualisations of the fluid mechanics governing LPBF enable us to identify unfavourable process dynamics associated with unwanted porosity, aiding the design of process windows at higher power and speed, and providing the potential for in-process monitoring of process stability.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ultra-strong tungsten refractory high-entropy alloy via stepwise controllable coherent nanoprecipitations

High-performance refractory alloys with ultrahigh strength and ductility are in demand for a wide range of critical applications, such as plasma-facing components. However, it remains challenging to increase the strength of these alloys without seriously compromising their tensile ductility. Here, we put forward a strategy to “defeat” this trade-off in tungsten refractory high-entropy alloys by stepwise controllable coherent nanoprecipitations (SCCPs). The coherent interfaces of SCCPs facilitate the dislocation transmission and relieve the stress concentrations that can lead to premature crack initiation. As a consequence, our alloy displays an ultrahigh strength of 2.15 GPa with a tensile ductility of 15% at ambient temperature, with a high yield strength of 1.05 GPa at 800 °C. The SCCPs design concept may afford a means to develop a wide range of ultrahigh-strength metallic materials by providing a pathway for alloy design.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Anomalous temperature dependence of elastic limit in metallic glasses

Abstract Understanding the atomistic mechanisms of inelastic deformation in metallic glasses (MGs) remains challenging due to their amorphous structure, where local carriers of plasticity cannot be easily defined. Using molecular dynamics (MD) simulations, we analyzed the onset of inelastic deformation in CuZr MGs, specifically the temperature dependence of the elastic limit, in terms of localized shear transformation (ST) events. We find that although the ST events initiate at lower strain with increasing temperature, the elastic limit increases with temperature in certain temperature ranges. We explain this anomalous behavior through the framework of an energy-strain landscape (ESL) constructed from high-throughput strain-dependent energy barrier calculations for the ST events identified in the MD simulations. The ESL reveals that the anomalous behavior is caused by the transition of ST events from irreversible to reversible with increasing temperature. An analytical formulation is developed to predict this transition and the temperature dependence of the elastic limit.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A strong fracture-resistant high-entropy alloy with nano-bridged honeycomb microstructure intrinsically toughened by 3D-printing

Strengthening materials via conventional “top-down” processes generally involves restricting dislocation movement by precipitation or grain refinement, which invariably restricts the movement of dislocations away from, or towards, a crack tip, thereby severely compromising their fracture resistance. In the present study, a high-entropy alloy Al0.5CrCoFeNi is produced by the laser powder-bed fusion process, a “bottom-up” additive manufacturing process similar to how nature builds structures, with the microstructure resembling a nano-bridged honeycomb structure consisting of a face-centered cubic (fcc) matrix and an interwoven hexagonal net of an ordered body-centered cubic B2 phase. While the B2 phase, combined with high-dislocation density and solid-solution strengthening, provides strength to the material, the nano-bridges of dislocations connecting the fcc cells, i.e., the channels between the B2 phase on the cell boundaries, provide highways for dislocation movement away from the crack tip. Consequently, the nature-inspired microstructure imparts the material with an excellent combination of strength and toughness.

36 MATERIALS SCIENCE↗