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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Role of turbulent separatrix tangle in the improvement of the integrated pedestal and heat exhaust issue for stationary-operation tokamak fusion reactors

Abstract The magnetic separatrix surface is designed to provide the final and critical confinement to the hot stationary-operation core plasma in modern tokamak reactors in the absence of an external magnetic perturbation (MP) or transient magneto-hydrodynamic perturbation, while diverting the exhaust heat to divertor plates. All the stationary operational boundary plasma studies and reactor designs have been performed under this assumption. However, there has been a long-standing suspicion that a stationary-operation tokamak plasma even without external MPs or edge localized modes (ELMs) activities may not have a stable closed separatrix surface, especially near the magnetic X-point. Here, the first gyrokinetic numerical observation is reported that the divertor separatrix surface, due to homoclinic tangles caused by intrinsic electromagnetic turbulence, is not a stable closed surface in a stationary operation phase even without MPs or ELMs. Unlike the MP- or ELM-driven homoclinic tangles that could cause deleterious effects to core confinement or divertor plates, it is found that the micro-turbulence driven homoclinic tangles could connect the divertor plasma to the pedestal plasma in a constructive way by broadening the divertor heat-exhaust footprint and weakening the pedestal slope to the ELM-safe direction. Micro-turbulent homoclinic tangles can open a new research direction in understanding and controlling these two most troublesome and non-locally connected edge-plasma issues in a tokamak fusion reactor.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Coupled surface plasmon–phonon polariton nanocavity arrays for enhanced mid-infrared absorption

Abstract Resonant optical cavities are essential components in mid-infrared applications. However, typical film-type cavities require multilayer stacks with a micron-thick spacer due to mid-infrared wavelengths, and their performance is limited by narrow frequency tunability and angular sensitivity. We propose and experimentally demonstrate the subwavelength-scale (≈ λ 0 /150) resonant nanocavity arrays that enhance the absorption spectrum of the device in the mid-infrared (10–12 microns) via excitation of coupled surface plasmon–phonon polaritons. The proposed metal–insulator–polar dielectric (gold–silicon–silicon carbide) structure supports a guided mode of the coupled surface polaritons in the lateral direction while vertically confining the mid-infrared wave within the 80 nm thick dielectric spacer. In particular, the subwavelength-scale (≈ λ 0 /10) gratings are imposed to form Fabry–Pérot cavity arrays displaying angle-insensitive and frequency-tunable absorption of up to 80% of the optical power in the mid-infrared. Our work should benefit diverse mid-infrared applications and novel designs of polariton-based photonic devices.

42 ENGINEERING↗
DOE OSTI2025

Efficient Mn 2+ Doping in Non-Stoichiometric Cesium Lead Bromide Perovskite Quantum Dots

Doping magnetic transition metal ions (e.g., Mn 2+ ) into colloidal quantum dots endows novel optical and magnetic properties to the host materials. CsPbBr 3 quantum dots (QDs) are emerging light-emitting materials with high structural and chemical flexibility in the visible spectral regime. However, efficiently doping Mn 2+ ions in CsPbBr 3 QDs remains challenging, especially when size confinement and ensemble uniformity are needed for understanding the underexplored exciton-dopant exchange interaction. Here, we introduce a doping mechanism based on electrostatic surface Mn 2+ adsorption that enables efficient Mn 2+ incorporation in strongly confined CsPbBr 3 QDs. The resultant QDs are found to have a Cs-deficient stoichiometry compared to their undoped counterparts. A redox reaction-based purification method was developed to remove Mn 2+ cations that are tightly adsorbed on the surface to determine the concentration of lattice-incorporated Mn 2+ . Our synthesis enables a Mn 2+ doping/alloying concentration of up to ∼44% with a Mn 2+ photoluminescence efficiency exceeding 90%. This allows for the determination of the intrinsic exciton-to-dopant energy transfer rate.

Hidayatova, Lamia [Univ. of Oklahoma, Norman, OK (↗
DOE OSTI2025

Entanglement, trace anomaly, and confinement in QCD

We formulate confinement in quantum chromodynamics (QCD) as an entropic surface phenomenon. Quark and gluon quantum information is localized on a transverse, entangling two-sphere of radius 𝑅 𝐸⁢𝐸 ; at this radius the QCD vacuum—partitioned by a hadron into interior and exterior regions—reaches its maximal entanglement entropy. Lattice-QCD determinations of the scalar (trace) gravitational form factors fix both 𝑅 𝐸⁢𝐸 and the transverse trace-anomaly density 𝜌 ℎ ⁡(𝑅 𝐸⁢𝐸 ), yielding a parameter-free slope 𝑐 ℎ = 8⁢𝜋 2 ⁢𝑅𝑆$^2_{𝐸⁢𝐸}$𝜌 ℎ ⁡(𝑅 𝐸⁢𝐸 ) and a mechanical entropy 𝑆 𝐸⁢𝐸 ⁡(𝑦) = 𝑐 ℎ ⁢𝑦 that grows linearly with rapidity 𝑦. The entropy gradient ∂ 𝑅 𝑆 𝐸⁢𝐸 changes sign at 𝑅 𝐸⁢𝐸 : it pushes colored degrees of freedom outward for 𝑟 <𝑅 𝐸⁢𝐸 and pulls them inward for 𝑟 >𝑅 𝐸⁢𝐸 , thereby localizing them on the codimension-2 entangling two-sphere Σ ⊥ = 𝑆$^2_{𝑅_{𝐸⁢𝐸}}$ (which, in the infinite-momentum frame (IMF), projects onto the transverse plane)—the “information wall.” This provides a high-energy (large-𝑦) entropic confinement diagnostic that complements—rather than replaces—Wilson’s area-law criterion, which probes long-distance dynamics near the rest frame (𝑦 → 0). Imposing unitarity on an entropic ansatz for the amplitude yields 𝜎⁡(𝑠) ∝ 𝑦 𝛿 . World data favor 𝛿 = 2 for elastic 𝑝⁡𝑝⁡($𝑝\bar{⁡𝑝}$) scattering and heavy-quark photoproduction, whereas 𝜙 photoproduction favors a softer 𝛿 = 0.387. All extracted cross sections remain well below the Froissart-Martin bound. These results provide a confinement criterion quantified directly from nonperturbative QCD inputs, unifying the trace anomaly, entanglement entropy, and high-energy scattering within a single quantitative framework.

Color confinement↗
DOE OSTI2023

Principal Challenges in Toroidal Magnetic Confinement Fusion Systems

Research efforts toward a practical and economical magnetically confined fusion power source have made steady progress over the years. Today, the principal approaches to confining a hot plasma of Deuterium and Tritium ions long enough for a significant frac/on to undergo thermonuclear burn employ toroidal geometries. Such geometries are attractive because charged particles are tightly bound around the field lines, undergoing locally helical orbits as they travel along those lines. In the core regions of the plasma, the field lines have no connection to the material surfaces making up the interior of the vacuum vessel, so that plasma confinement times can be long enough for significant thermonuclear burnup via fusion reactions to take place. For good confinement, the geometry of the field lines must be such that nested field lines (which lie on nested flux surfaces) twist around the toroidal axis (a quasi-circular line that approximately lies in the center of the confined plasma) at rates that vary based on their distance from that axis. The rotational transform (or field line pitch), iota/2π , is defined as the number of poloidal transits per single toroidal transit of a field line on a toroidal flux surface.

42 ENGINEERING↗
DOE OSTI2020

Electron beam injection from a hollow cathode plasma into a downstream reactive environment: Characterization of secondary plasma production and Si 3 N 4 and Si etching

A material etching system was developed by combining beam electron injection from a direct current (DC) hollow-cathode (HC) electron source with the downstream reactive environment of a remote CF 4 /O 2 low temperature plasma. The energy of the injected beam electrons is controlled using an acceleration electrode biased positively relative to the HC Argon discharge. For an acceleration voltage greater than the ionization potential of Ar, the extracted primary electrons can produce a secondary plasma in the process chamber. We characterized the properties of the secondary plasma by performing Langmuir probe measurements of the electron energy probability function (EEPF) 2.5 cm below the extraction ring. The data indicate the existence of two major groups of electrons, including electrons with a primary beam electron energy which varies as the acceleration voltage is varied, along with low energy electrons produced by ionization of the Ar gas atoms in the process chamber by the injected beam electrons. When combining the HC Ar beam electron with a remote CF 4 /O 2 electron cyclotron wave resonance (ECWR) plasma, the EEPF of both the low energy plasma electron and beam electron components decreases. Additionally, we studied surface etching of Si3N4 and poly-crystalline Si (poly-Si) thin films as a function of process parameters, including the acceleration voltage (0-70 V), discharge current of the HC discharge (1-2 A), pressure (2- 100 mTorr), source to substrate distance (2.5 to 5 cm), and feed gas composition (with or without CF 4 /O 2 ). The direction of the incident beam electrons was perpendicular to the surface. Si 3 N 4 and poly-crystalline silicon etching are seen and indicate an electronneutral synergy effect. No/little remote plasma spontaneous etching was observed for the conditions used in this study, and the etching is confined to the substrate area irradiated by the injected beam electrons. The electron etched Si 3 N 4 surface etching rate profile distribution is confined within a ~30 mm diameter circle, which is slightly broader than the area for which poly-Si etching is seen, and coincides closely with the spatial profile of beam electrons as determined by the Langmuir probe measurements. The magnitude of poly-Si etching rate is by a factor of two times smaller than the Si 3 N 4 etching rate. In this paper, we discuss possible explanations of the data and the role of surface charging.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Ultrafast Carrier and Lattice Dynamics in Plasmonic Nanocrystalline Copper Sulfide Films

Excited carrier dynamics in plasmonic nanostructures determines many important optical properties such as nonlinear optical response and photocatalytic activity. Here it is shown that mesoscopic plasmonic covellite nanocrystals with low free-carrier concentration exhibit a much faster carrier relaxation than in traditional plasmonic materials. A nonequilibrium hot-carrier population thermalizes within first 20 fs after photoexcitation. A decreased thermalization time in nanocrystals compared to a bulk covellite is consistent with the reduced Coulomb screening in ultrathin films. The subsequent relaxation of thermalized, equilibrium electron gas is faster than in traditional plasmonic metals due to the lower carrier concentration and agrees well with that in a bulk covellite showing no evidence of quantum confinement or hot-hole trapping at the surface states. The excitation of coherent optical phonon modes in a covellite is also demonstrated, revealing coherent lattice dynamics in plasmonic materials, which until now was mainly limited to dielectrics, semiconductors, and semimetals. These findings show advantages of this new mesoscopic plasmonic material for active control of optical processes.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Zero-biased and visible-blind UV photodetectors based on nitrogen-doped ultrananocrystalline diamond nanowires

Taking advantage of the superflat surface of ultrananocrystalline diamond (UNCD), highly precise UNCD nanowire (NW) arrays were fabricated to develop high-performance UV photodetectors. The large surface-to-volume ratio of a nanowire significantly increases the number of surface trap states, and the reduced dimensionality effectively confines the active area of the charge carrier and shortens the transit time, which results in an enhanced photoconductivity and response speed. Here, in this paper, the zero-biased UV photodetectors based on nitrogen-incorporated ultrananocrystalline diamond nanowire arrays have been demonstrated and characterized. The estimated responsivity was 2.0 A/W for 350 nm incident light when the device operated at room temperature. The UVA and UVB photocurrent signals from this visible blind photodetector were well defined with a rise and decay time of less than 1 s.

36 MATERIALS SCIENCE↗
DOE OSTI2023

magnetoARPES: Angle Resolved Photoemission Spectroscopy with magnetic field control

Angle-Resolved Photoemission Spectroscopy (ARPES) is a premier technique for understanding the electronic excitations in conductive, crystalline matter, in which the induced photocurrent is collected and dispersed in energy and angle of emission to reveal the energy- and momentum-dependent single particle spectral function A (k,ω). So far, ARPES in a magnetic field has been precluded due to the need to preserve the electron paths between the sample and detector. Here, in this paper we report progress towards “magnetoARPES”, a variant of ARPES that can be conducted in a magnetic field. It is achieved by applying a microscopic probe beam (≲10 μm) to a thinned sample mounted upon a special sample holder that generates magnetic field confined to a thin layer near the sample surface. In this geometry we could produce ARPES in magnetic fields up to around ±100 mT. The magnetic fields can be varied from purely in-plane to nearly purely out-of-plane, by scanning the probe beam across different parts of the device. We present experimental and simulated data for graphene to explore the aberrations induced by the magnetic field. These results demonstrate the viability of the magnetoARPES technique for exploring symmetry breaking effects in weak magnetic fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Ion Transport in Carbon Nanotube Porins with a pH-Switchable Entrance Gate

Molecular transport in nanofluidic channels often differs drastically from conventional bulk transport. Strong confinement in those channels amplifies the roles of surface transport, surface defects, and molecular gates. Here, in this study, we introduce a chemical functionality at the nanotube rim that acts as a pH-triggered molecular gate by forming a movable lid that blocks the pore entrance. We use ion and proton transport measurements to show that these sub-1 nm diameter fluorescent ultrashort carbon nanotube porins (FUNPs) modulate ion transport by switching between the “open” and “closed” conformations of this gate. Specifically, at neutral pH the channel lid is open, allowing unimpeded ion transport through the gate, whereas at acidic pH values the lid forms a “closed” conformation that blocks transport through the nanotube. We also report first-principles MD simulations that confirm this gating mechanism and reveal molecular details of the ion and proton transport processes in these functional nanopores.

Carbon nanotubes↗
DOE OSTI2021

A high temperature cell for investigating interfacial structure on the molecular scale in molten salt/alloy systems

In this work, we describe the design and development of an in situ neutron reflectometry cell for high temperature investigations of structural changes occurring at the interface between inorganic salts, in their molten state up to 800 °C, and corrosion resistant alloys or other surfaces. In the cell, a molten salt is confined by an annular ring of single crystal sapphire constrained between the sample substrate and a sapphire plate using two gold O-rings, enclosing a liquid salt volume of 20 ml, along with a dynamic cell volume to accommodate expansion of the liquid with heating. Further, as a test case for the cell, we report on an in situ neutron reflectometry measurement of the interface between a eutectic salt mixture of MgCl 2 –KCl (32:68 molar ratio) and a single crystal sapphire substrate at 450 °C, resulting in the formation of a 60 Å layer having a scattering length density of 1.72 × 10 –6 Å –2 . While the origin of this layer is uncertain, it is likely to have resulted from the salt reacting with an existing impurity layer on the sapphire substrate.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Investigation of Exciton Delocalization and Exciton Coherence in Chromophores and Acoustic Nanostructures

Quantum materials have a rich potential for providing transformative energy technologies ranging from new energy efficient computation paradigms to lossless energy transport across the national grid. The field of quantum materials, however, is still in its infancy with many quantum materials systems requiring cyrogenic temperatures to be viable. Few viable, room-temperature quantum materials systems have been identified; therefore, identifying additional such systems is vitally important. This state of the science combined with the low number of potential systems that exhibit room-temperature quantum character make this field of research fertile ground for EPSCoR states (states eligible for funding under the Established Program to Stimulate Competitive Research program) such as Idaho to compete on a national level. As a result, this project proposed and accomplished two main goals in advancing two room-temperature quantum materials systems: (1) advance the science for demonstrating room temperature exciton delocalization in two excitonic systems and (2) build capacity and expertise in developing and understanding quantum materials at both Boise State University and Idaho National Laboratory. The work at Boise State focused mainly on the use of nucleic acid self-assembled chromophore molecule networks that offer a much easier and mature approach to construct aggregates of chromophores that can be tailored to specific two-dimensional and three-dimensional geometries and allow exciton manipulation towards achieving room-temperature quantum computation. A second complementary effort performed at Boise State and INL focused on confining excitons on quantum length scales using coherent surface acoustic phonons

36 MATERIALS SCIENCE↗
DOE OSTI2022

Confinement-Driven Heterogeneous Benzene Crystallization in Silica Nanopores

Nanoconfinement alters the thermodynamics, dynamics, and kinetics of fluids hosted in nanoscale solid nanopores to an extent that depends on the characteristics of the confining space and the chemistry of the confined fluids. Confinement-induced alterations in the phase behavior of confined energetic fluids under high pressure or low temperature are highly relevant to subsurface and subsea phenomena such as fluid flow in porous media, hydrate formation and dissociation, and gas storage capacity. Although extensive efforts have been directed toward understanding the phase behavior of confined fluids, the role of solid-liquid interfaces in the phase transitions of organic liquids has not been resolved yet. Here, we explore the onset and growth of benzene crystallization confined in 6 nm sized SBA-15 silica nanopores in the temperature range 300-200 K using in situ extended range small-angle and wide-angle X-ray scattering (SAXS/WAXS) measurements and atomistic classical molecular dynamics (MD) simulations. The crystallization onset of confined benzene depresses to 265 K compared to the freezing point of bulk benzene ( ~278 K), followed by the continuous growth of the emerged crystals in the pore space with complete crystallization at 200 K. The orientation of the emerged benzene crystals is dominated by parallel (π-π stacking) and perpendicular (T-shape stacking) orientations along the cylindrical pore radius and pore length, respectively. The onset of benzene crystals occurs heterogeneously on the pore surface and grows continuously toward the pore center. Further, confined benzene undergoes a dynamical crossover from fragile to strong dynamics behavior, inferred from the rotational and translational diffusion. The insights provided by this study have significant implications for the phase transitions of confined organic liquids that are relevant to a wide range of applications in the biological, geological, environmental, and chemical fields.

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

Confined Room-Temperature Ferromagnetism in Kagome (Fe 3 Sn 2 /CoSn) Superlattices

We reveal the presence of robust ferromagnetism in topological kagome (Fe 3 Sn 2 /CoSn) ×n superlattices via polarized neutron reflectivity (PNR) and magnetization measurements. Using molecular beam epitaxy, we have synthesized superlattices of alternating ferromagnetic Fe 3 Sn 2 and paramagnetic CoSn layers, the interfacial integrity of which is confirmed using scanning transmission electron microscopy. Magnetization depth profiles, obtained by fitting the PNR data, confirm the presence of ferromagnetism in the confined Fe 3 Sn 2 layers at room temperature, with minimal thickness dependence down to 2 nm. A net magnetization is found in the near-surface region of CoSn, which we attribute to surface oxidation. Our results demonstrate that superlattice engineering is a means to confine ferromagnetism in kagome metals, enabling future studies of thickness-dependent anomalous Hall and Nernst effects as well as spin-dependent transport and tunneling in device structures.

kagome metals↗
DOE OSTI2025

Water under hydrophobic confinement: entropy and diffusion

The properties of liquid water are known to change drastically in confined geometries. A most interesting and intriguing phenomenon is that the diffusion of water is found to be strongly enhanced by the proximity of a hydrophobic confining wall relative to the bulk diffusion. We report a molecular dynamics simulation using a classical water model investigating the water diffusion near a non-interacting smooth confining wall, which is assumed to imitate a hydrophobic surface, revealing a pronounced diffusion enhancement within several water layers adjacent to the wall. We present evidence that the observed diffusion enhancement can be accounted for, with a quantitative accuracy, using the universal scaling law for liquid diffusion that relates the diffusion rate to the excess entropy. These results show that the scaling law, which has so far only been used for the description of the diffusion in simple liquids, can successfully describe the diffusion in water. It is shown that the law can be used for the analysis of water dynamics under nanoscale hydrophobic confinement, which is currently a subject of intense research activity.

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

Wettability of ultra-small pores of carbon electrodes by size-asymmetric ionic fluids

Recently, we studied the phase behavior of ionic fluids under confinement using the classical density functional theory within the framework of the restricted primitive model. Additionally, the theoretical results indicate that narrowing the pore size may lead to a drastic reduction in the electric double layer capacitance, while increasing the surface electrical potential would improve the ionic accessibility of micropores. In this work, we extend the theoretical investigation to systems containing size-asymmetric electrolytes that may exhibit a vapor-liquid like phase transition in the bulk phase. The effects of pore size and surface electric potential on the phase diagram and microscopic structures of the confined electrolytes were studied over a broad range of parameters. We found that decreasing the pore size or increasing the surface potential could destabilize the liquid phase in micropores, and capillary evaporation could occur regardless of the size asymmetry between cations and anions. Compared to that in a symmetric ionic system, the vapor-liquid phase separation is more likely to take place as the size asymmetry becomes more pronounced. The phase transition would alter the “accessibility” of ions to micropores and lead to coexisting micropores with different surface charge densities as identified by Monte Carlo simulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Identifying Northern Hemisphere Stratospheric and Surface Temperature Responses to the Mt. Pinatubo Eruption within E3SMv2-SPA

The Mt. Pinatubo eruption on 15 June 1991 is often associated with surface warming in the subsequent Northern Hemisphere winter. Employing E3SMv2 with prognostic aerosol modifications, we generated an ensemble of simulations initialized on 1 June 1991 to limit the intra-ensemble variability at the time of the eruption and a more traditional ensemble representing the full range of intra-ensemble variability. For each ensemble member we generated a paired counterfactual simulation with the Pinatub forcing removed allowing for isolation of the Pinatubo impact. In general, the limited variability ensemble has greater coherence in the Pinatubo impact across ensemble members which leads to more statistically robust signals compared to the full variability ensemble. Stratospheric warming patterns from Pinatubo were approximately zonally symmetric and confined between 30°S and 50°N. Isolating localized surface temperature impacts was more difficult, but the limited variability simulation did identify a preferential region of cooling between 20°S to 50°N.

54 ENVIRONMENTAL SCIENCES↗