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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Dual Purpose – Heating & Cooling – Thermal Battery for Flexible and Energy-Efficient Heat Pump Systems

The integration of heat pumps with thermal energy storage (HP-TES) systems is gaining attention as a viable solution for managing peak building demand driven by immense cooling and heating loads. With growing reliance on renewable energy sources, thermal energy storage offers an excellent opportunity to mitigate mismatches in thermal load between energy supply and demand. The use of phase-change material (PCM) TES is especially promising, as PCMs offer significant latent energy storage capacity with smaller temperature glides in smaller volumes compared to other TES technologies. However, challenges arise because current HP-TES architectures can load-shift only cooling or heating, not both, requiring two systems and thus doubling cost, weight, and footprint. Furthermore, current research efforts lack specific tools and techniques to advance integrated systems from concept design to end-user application, focusing on only discharge performance. To address these challenges, this research proposes a dual-mode (heating and cooling) integrated HP-TES system that uses room-temperature PCM-TES as a high-temperature heat source in heating mode and a low-temperature heat sink in cooling mode, thereby reducing temperature lifts and compressor power. Design criteria for PCM-TES heat exchangers were developed, balancing thermal-hydraulic performance with practical constraints such as available building space and weight requirements along with PCM selection considerations such as shipping conditions, moisture exposure, and number of available cycles. A detailed transient model for HP-TES systems was developed to enable rapid annual performance assessments in any US climate zone.

42 ENGINEERING↗
DOE OSTI2020

Charge carrier dynamics in two-dimensional hybrid perovskites: Dion–Jacobson vs. Ruddlesden–Popper phases

Two-dimensional (2D) halide perovskites are promising materials for environmentally stable next-generation optoelectronic device applications. Besides the widely investigated Ruddlesden–Popper (RP) phases, Dion–Jacobson (DJ) phases are attracting considerable attention due to their rapid emergence as efficient solar cell materials. However, there is very little atomistic understanding of the charge carrier dynamics under ambient conditions for these DJ-phases, limiting the possibilities to tune their optoelectronic performances through compositional engineering routes. In this study, by combining nonadiabatic molecular dynamics with time-domain density functional theory methods at room temperature, we compare the dominant non-radiative carrier recombination and dephasing processes in RP and DJ monolayered lead halide perovskites. Our systematic study demonstrates that performance-limiting nonradiative carrier recombination processes greatly depends on the electron–phonon interactions induced by structural fluctuations and instantaneous charge localization in these materials. The stiffer interlayer packing due to the presence of single spacer dications, which separates the lead iodide slabs, reduces the thermal fluctuations in the DJ-phase to a greater extent than that in the RP-phase 2D-perovskites. Specific electronic coupling between the closely spaced lead iodide layers enhances the delocalization of band-edge charge densities in DJ-phase systems. Compared to the RP-phase, reduced inelastic electron–phonon scattering in DJ-phase perovskites significantly limits intrinsic non-radiative recombination processes. The consequent enhancement in the photogenerated charge carrier lifetime makes DJ-phase perovskites potentially suitable for various optoelectronic devices. The computational insights gained from this study allow us to outline a set of robust design principles for DJ-phase perovskites to strategically tune their optoelectronic properties.

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

Ferroelectric phase-transition frustration near a tricritical composition point

Phase transition describes a mutational behavior of matter states at a critical transition temperature or external field. Despite the phase-transition orders are well sorted by classic thermodynamic theory, ambiguous situations interposed between the first- and second-order transitions were exposed one after another. Here, we report discovery of phase-transition frustration near a tricritical composition point in ferroelectric Pb(Zr 1-x Ti x )O 3 . Our multi-scale transmission electron microscopy characterization reveals a number of geometrically frustrated microstructure features such as self-assembled hierarchical domain structure, degeneracy of mesoscale domain tetragonality and decoupled polarization-strain relationship. Associated with deviation from the classic mean-field theory, dielectric critical exponent anomalies and temperature dependent birefringence data unveil that the frustrated transition order stems from intricate competition of short-range polar orders and their decoupling to long-range lattice deformation. With supports from effective Hamiltonian Monte Carlo simulations, our findings point out a potentially universal mechanism to comprehend the abnormal critical phenomena occurring in phase-transition materials.

42 ENGINEERING↗
DOE OSTI2022

Entropically engineered formation of fivefold and icosahedral twinned clusters of colloidal shapes

Fivefold and icosahedral symmetries induced by multiply twinned crystal structures have been studied extensively for their role in influencing the shape of synthetic nanoparticles, and solution chemistry or geometric confinement are widely considered to be essential. Here we report the purely entropy-driven formation of fivefold and icosahedral twinned clusters of particles in molecular simulation without geometric confinement or chemistry. Hard truncated tetrahedra self-assemble into cubic or hexagonal diamond colloidal crystals depending on the amount of edge and vertex truncation. By engineering particle shape to achieve a negligible entropy difference between the two diamond phases, we show that the formation of the multiply twinned clusters is easily induced. The twinned clusters are entropically stabilized within a dense fluid by a strong fluid-crystal interfacial tension arising from strong entropic bonding. Our findings provide a strategy for engineering twinning behavior in colloidal systems with and without explicit bonding elements between particles.

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

Defect behavior and radiation tolerance of MAB phases (MoAlB and Fe2AlB2) with comparison to MAX phases

MAB phases are a new class of layered ternary materials that have already shown a number of outstanding properties. Here, we investigate defect evolution and radiation tolerance of two MAB phases, MoAlB and Fe 2 AlB 2 , using a combination of experimental characterization and first-principles calculations. We find that Fe 2 AlB 2 is more tolerant to radiation-induced amorphization than MoAlB, both at 150 °C and at 300 °C. The results can be explained by the fact that the Mo Frenkel pair is unstable in MoAlB and as a result, irradiated MoAlB is expected to have a significant concentration of Mo Al antisites, which are difficult to anneal even at 300 °C. We find that the tolerance to radiation-induced amorphization of MAB phases is lower than in MAX phases, but it is comparable to that of SiC. However, MAB phases do not show radiation-induced cracking which is observed in MAX phases under the same irradiation conditions. This research suggests that MAB phases might be a promising class of materials for applications that involve radiation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A simulation-based parametric study of CLOU chemical looping reactor performance

Chemical looping with oxygen uncoupling (CLOU) is a variant on chemical looping combustion in which the oxygen carrier releases gaseous O 2 in the fuel reactor, making it well-suited for solid fuels, since the released gaseous O 2 readily reacts with solid char. This work presents several computational fluid dynamic (CFD) simulations of copper-based CLOU in a dual fluidized bed system, each with different operating conditions. The modeling predicted that coal particle sizes as large as 1000 μm did not significantly affect performance. Increased oxygen carrier copper loading resulted in an excess of gaseous oxygen in the product gas stream. Decreasing the oxygen carrier bed mass as well as reducing the air reactor fluidizing velocity did not supply enough oxygen to the fuel reactor to complete combustion of the coal. This generated a failure state in which the temperature continued to decrease in the fuel reactor from the lack of combustion, which in turn reduced the O 2 equilibrium partial pressure, further lowering the amount of combustion possible. Sufficient O 2 can be maintained in the fuel reactor by ensuring a high enough air reactor velocity and a large enough supply of oxygen carrier inventory to handle the chosen coal feed rate.

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

Experimental investigation of fuel temperature effects on transient needle motion and injection velocity of solenoid type diesel injector

Real driving emission (RDE) test conducted in sub-zero temperature conditions has been acting as a severe emission regulation over the existing test methods for diesel engines. In order to cope with this tightened regulation, many studies have been conducted to interpret the factors causing the deteriorated diesel engine combustion in cold operation conditions. The deteriorated fuel injection performance has been regarded as one of the key contributing factors but the governing mechanisms are not thoroughly understood so far. This study aims to provide a comprehensive understanding of the effects of fuel temperature including sub-zero conditions on fuel injection performance by measuring the transient needle motion and injection velocity of a diesel injector using synchrotron X-ray imaging techniques. Here, the factors causing the deteriorated injector performance and their contributions are discussed thoroughly based on the results. The results showed that the injection duration was shortened as the fuel temperature decreased as a result of decreased needle opening speed and increased needle closing speed. The increase of fuel viscosity and bulk modulus was discussed as the main factors associated with these results. The total injection mass was reduced by lowering the fuel temperature not only by the shortened injection duration but also by the decreased injection velocity. These factors exerted near equivalent contribution to the reduced injection mass at low fuel temperatures.

42 ENGINEERING↗
DOE OSTI2021

SiOC coatings on yttria stabilized zirconia microspheres using a fluidized bed coating process

In this study, defect-free SiOC coatings were prepared on yttria stabilized zirconia (YSZ) microspheres by a fluidized bed coating process. Effects of the rheological properties of the coating solution on the coating process were elucidated. An impact regime diagram was constructed, which demonstrated that the coating mechanisms were collision/impact. During the fluidized bed coating, longer spouted time resulted in wider dispersion, longer residence time, and more circulatory motion of particles; the fluid distributed more uniformly throughout the column, as demonstrated in our Multiphase Flow with Interface eXchange (MFiX) simulations. Two-step pyrolysis in Ar achieved complete coating layers, which were comprised of SiOC, SiO 2 , SiC, and graphite. The two stage mass loss during the pyrolysis corresponded to simultaneous reactions due to depolymerization and hydrocarbon loss from 400 to 600°C. Carbon cluster size in the pyrolyzed samples was calculated to be 25 ± 2 Å. In conclusion, this work provides a new method for producing SiOC coatings on micron spheres, with nuclear TRISO fuel particles as the application.

42 ENGINEERING↗
DOE OSTI2026

Reacting CO 2 with Light Alkanes to Value-Added Products

Catalytic conversion of anthropogenic carbon dioxide (CO 2 ) into value-added products is a promising strategy to mitigate global carbon emissions. Concurrently, the shale gas revolution has provided an abundant supply of light alkanes (methane, ethane, propane, and butane), presenting a unique opportunity to employ these underutilized hydrocarbons as an effective, low-cost hydrogen source for CO 2 reduction. In this Perspective, we summarize past efforts, current state, and future opportunities for reacting CO 2 with light alkanes to generate a diverse range of value-added products. Compared with direct alkane conversion, the introduction of CO 2 fundamentally alters reaction thermodynamics and kinetics, enabling selective C–H and C–C bond activation while suppressing catalyst deactivation from coke formation. Building on decades of research in dry reforming and CO 2 -assisted dehydrogenation, recent advances in catalyst design have enabled CO 2 -assisted dehydrogenation processes that approach chemical equilibrium for the selective production of olefins and syngas. Importantly, advances in catalyst design and reactor engineering have further expanded the product scope beyond gas-phase (syngas and olefins) to include liquid-phase (oxygenates and aromatics), and solid-phase products (carbon nanomaterials). We highlight key catalyst design principles for controlling reaction pathways and discuss major challenges and opportunities in developing selective and versatile platforms for the simultaneous upgrading of CO 2 and light alkanes.

CO2↗
DOE OSTI2026

Collection of fluorescence from an ion using trap-integrated photonics

Spontaneously emitted photons are entangled with the electronic and nuclear degrees of freedom of the emitting atom, so interference and measurement of these photons can entangle separate matter-based quantum systems as a resource for quantum information processing. Since confinement in a single-mode facilitates the photon interference needed for generating entanglement, the dipole emission patterns relevant in spontaneous emission present a mode-matching challenge. Current demonstrations rely on bulk photon-collection and manipulation optics that suffer from large component size and system-to-system variability—factors that impede scaling to the large numbers of entangled pairs needed for quantum information processing. To address these limitations, we demonstrate a collection method that enables passive phase stability, straightforward photonic manipulation, and intrinsic reproducibility. Specifically, we engineer a waveguide-integrated grating to couple photons emitted from a trapped ion into a single optical mode within a microfabricated ion-trap chip. Using the integrated collection optic, we characterize the collection efficiency, image the ion, and detect the ion’s quantum state. The integrated optic covers 2.18% of the solid angle and collects 1.97 ± 0.3% of the spontaneously emitted light incident on the grating for a total collection efficiency of 0.043% into a single-mode waveguide. This proof-of-principle demonstration lays the foundation for leveraging the inherent stability and reproducibility of integrated photonics to create, manipulate, and measure multipartite quantum states in arrays of quantum emitters.

Optical physics↗
DOE OSTI2024

Hydrodynamic fluctuations near a Hopf bifurcation: Stochastic onset of vortex shedding behind a circular cylinder

Here, we investigate hydrodynamic fluctuations in the flow past a circular cylinder near the critical Reynolds number Re c for the onset of vortex shedding. Starting from the fluctuating Navier-Stokes equations, we perform a perturbation expansion around Re c to derive analytical expressions for the statistics of the fluctuating lift force. Molecular-level simulations using the direct simulation Monte Carlo method support the theoretical predictions of the lift power spectrum and amplitude distribution. Notably, we have been able to collect sufficient statistics at distances Re ⁡/ Re c – 1 = O ⁡(10 –3 ) from the instability that confirm the appearance of non-Gaussian fluctuations, and we observe that they are associated with intermittent vortex shedding. These results emphasize how unavoidable thermal-noise-induced fluctuations become dramatically amplified in the vicinity of oscillatory flow instabilities and that their onset is fundamentally stochastic.

42 ENGINEERING↗
DOE OSTI2025

Single-crystalline orthorhombic GdAlGe as a rare-earth magnetic Dirac nodal-line metal

Crystal engineering is a method for discovering new quantum materials and phases, which may be achieved using external pressure or strain. Chemical pressure is unique in that it generates internal pressure perpetually to the lattice. As an example, GdAlSi from the rare-earth (𝑅) 𝑅⁢Al⁢𝑋 (𝑋=Si or Ge) family of Weyl semimetals is considered. Replacing Si with the larger isovalent element Ge creates sufficiently large chemical pressure to induce a structural transition from the tetragonal structure of GdAlSi, compatible with a Weyl semimetallic state, to an orthorhombic phase in GdAlGe, resulting in an inversion-symmetry-protected nodal-line metal. We find that GdAlGe hosts an antiferromagnetic ground state with two successive orderings, at 𝑇 N ⁢1=35K and 𝑇 N ⁢2=30K. In-plane isothermal magnetization shows a magnetic field induced metamagnetic transition at 6.2 T for 2 K. Furthermore, electron-hole compensation gives rise to a large magnetoresistance of ∼100% at 2 K and 14 T. Angle-resolved photoemission spectroscopy measurements and density functional theory calculations reveal a Dirac-like linear band dispersion over an exceptionally large energy range of ∼1.5eV with a high Fermi velocity of ∼10 6 m/s, a rare feature not observed in any magnetic topological materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

TEAMER: Pitching Foil Crossflow Turbine Efficiency Data

This dataset documents the efficiency testing of a pitching foil crossflow turbine, conducted at the University of New Hampshire's (UNH) Chase Ocean Engineering Laboratory tow tank facility. The tests explored various pitch phases and amplitudes, ranging from 0 to 18 degrees, across different flow speeds and turbine RPMs. Specifically, testing was performed at pitch amplitudes of 0,3,6,9,12,15 and 18 degrees. The results indicate that turbine efficiency improves with increased pitch amplitude, reaching optimal performance at 12 degrees. Modifications were made to the test frame by UNH to enhance the stiffness of the support structure. The testing specifically mapped the efficiency of a single quadrant of the Ocean Renewable Power Company (ORPC) Autonomous Turbine Generator Unit (ATGU), covering the full range of allowable pitching amplitudes and phases. The dataset provides both raw and processed data, including drag and torque measurements, and contains Python scripts used for data processing and visualization. This research was supported by funding from TEAMER RFTS 1 (Request for Technical Support).

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Fighting the climate crisis with caloric heat pumping: Innovations to enable widespread adoption

Caloric heat pumping is a cross-cutting thermal energy technology that can cover a wide range of applications and temperatures, from millikelvins to hundreds of kelvins, with a working medium that has zero global warming potential. The technology promises cost savings and high efficiency, having 60% Carnot efficiency demonstrated to date. The Energy Earthshots™ Initiative, launched by the U.S. Department of Energy, aims to fight the climate crisis and overcome technological barriers to a decarbonized economy. The initiative focuses on the development of energy solutions that increase efficiency, reduce greenhouse gas emissions, and ensure affordability. Three out of eight Energy Earthshots™ look for alternative thermal energy technologies for extensive temperature ranges, from hydrogen liquefaction to metal-treating temperatures. Caloric heat pumping can fulfill all these requirements; however, at the current stage, caloric systems have limited presence in real-world applications. Further, this perspective discusses key efforts to address barriers hindering the widespread adoption of caloric technology. We focus on essential breakthroughs in and effective approaches to material discovery and draw a path to high-power-density, grid-interactive caloric systems to support achieving the ambitious net-zero carbon economy goal.

42 ENGINEERING↗
DOE OSTI2020

Unprecedented non-hysteretic superelasticity of [001]-oriented NiCoFeGa single crystals

Superelasticity associated with the martensitic transformation has found a broad range of engineering applications. However, the intrinsic hysteresis and temperature sensitivity of the first-order phase transformation significantly hinder the usage of smart metallic components in many critical areas. In this paper, we report a large superelasticity up to 15.2% strain in [001]-oriented NiCoFeGa single crystals, exhibiting non-hysteretic mechanical responses, a small temperature dependence and high-energy-storage capability and cyclic stability over a wide temperature and composition range. In situ synchrotron X-ray diffraction measurements show that the superelasticity is correlated with a stress-induced continuous variation of lattice parameter accompanied by structural fluctuation. Neutron diffraction and electron microscopy observations reveal an unprecedented microstructure consisting of atomic-level entanglement of ordered and disordered crystal structures, which can be manipulated to tune the superelasticity. The discovery of the large elasticity related to the entangled structure paves the way for exploiting elastic strain engineering and development of related functional materials. NiCoFeGa single crystals exhibit large non-hysteretic superelasticity over broad temperature and composition ranges. It is attributed to the continuous phase transition with applied stress, which is related to the fluctuation of entangled ordered and disordered crystal structures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Dynamically tunable second-harmonic generation using hybrid nanostructures incorporating phase-change chalcogenides

Nonlinear metasurfaces with high conversion efficiencies have been vastly investigated. However, strong dynamic tunability of such devices is limited in conventional passive plasmonic and dielectric material platforms. Germanium antimony telluride (GST) is a promising phase-change chalcogenide for the reconfiguration of metamaterials due to strong nonvolatile changes of the real and imaginary parts of the refraction index through amorphous-crystalline phase change. The orderly structured GST has an even higher potential in tunable second-harmonic generation (SHG) with a non-centrosymmetric crystal structure at the crystalline phase, while the amorphous phase of GST does not exhibit bulk second-order nonlinearity. Here, we experimentally demonstrate SHG switches by actively controlling the crystalline phase of GST for a GST-based hybrid metasurface featuring a gap-surface plasmon resonance, and a quarter-wave asymmetric Fabry–Perot (F–P) cavity incorporating GST. We obtain SHG switches with modulation depths as high as ~ 20 dB for the wavelengths at the on-state resonance. We also demonstrate the feasibility of multi-level SHG modulation by leveraging three controlled GST phases, i.e., amorphous, semi-crystalline, and crystalline, for the gap-surface plasmon hybrid device, which features stronger light–matter interaction and has higher resonant SHG efficiencies than the asymmetric F–P cavity device at respective GST phases. This research reveals that GST-based dynamic SHG switches can be potentially employed in practical applications, such as microscopy, optical communication, and photonic computing in the nonlinear regime.

42 ENGINEERING↗
DOE OSTI2024

Synthesis, Processing, and Use of Isotopically Enriched Epitaxial Oxide Thin Films

Isotopic engineering has emerged as a key approach to study the nucleation, diffusion, phase transitions, and reactions of materials at an atomic level. It aims to uncover mass transport pathways, kinetics, and operational and failure mechanisms of functional materials and devices. Understanding these phenomena leads to deeper insights into important physical processes, such as the transport of ions in energy conversion and storage devices and the role of active sites and supports during heterogeneous catalytic reactions. Likewise, isotopic engineering is being pursued as a means of modifying functionality to enable future technological applications. In this Account, we summarize our recent work employing isotope labeling (e.g., 18 O 2 and 57 Fe) during thin film synthesis and postgrowth processing to reveal growth mechanisms, defect chemistry, and elemental diffusion under working and extreme conditions. Isotope-resolved analysis techniques with nanometer-scale spatial resolution, such as time-of-flight secondary ion mass spectrometry and atom probe tomography, facilitate the accurate quantification of isotopic placement and concentration in our well-defined heterostructures with precisely positioned, isotope-enriched layers. By measuring the nanometer-scale redistribution between natural abundance and isotopically enriched oxygen layers during the deposition of Fe 2 O 3 and Cr 2 O 3 by molecular beam epitaxy, we identified intermixing processes driven by surface adatoms occurring both at the film growth surface and within the first few layers below the surface. Further insights into synthesis mechanisms were gained by studying the tungsten oxide thin films grown by evaporating WO 3 powder in the presence of background 18 O 2 , revealing minimal incorporation of background oxygen during the film formation process. Thermal and radiation-enhanced diffusion in epitaxial Fe and Cr oxides were precisely tracked using 18 O and 57 Fe tracer layers incorporated into model epitaxial oxide thin films. This approach has allowed us to access thermal diffusion behavior at lower temperatures than previously measured, revealing a potential changeover in diffusion mechanism. Understanding radiation-enhanced diffusion in model oxides that represent the surface layers on the structural components of nuclear reactors informs our understanding of their corrosion behavior under irradiation. Isotopic labeling can also provide unique insights into the surface exchange reactions and defect chemistry of electrocatalysts. For instance, tracking the change in 18 O concentration at the surface of an epitaxial LaNiO 3 thin film after the electrocatalytic oxygen evolution reaction revealed the participation of lattice oxygen, confirming a hypothesis that had been proposed previously. Lastly, we highlight a new direction wherein we perform in situ processing studies utilizing isotopic tracers in conjunction with model epitaxial thin films within the atom probe tomography instrument. Additionally, this Account illustrates the great potential of isotopic engineering to enable fundamental mechanistic insights into physical processes and engineer functional properties in epitaxial films, heterostructures, and superlattices.

36 MATERIALS SCIENCE↗