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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

Circumventing thermodynamic limitations in converting carbon dioxide into carbon nanotubes via tandem catalysis

Carbon nanotubes (CNTs) are important materials for electronics and structural composites, but their production still relies on hydrocarbon-based chemical vapor deposition, an energy-intensive and fossil-dependent process, limited by rapid catalyst deactivation. Using CO2 as a carbon feedstock offers a sustainable route for CNT synthesis, yet direct CO2 conversion to CNTs is thermodynamically unfavorable and existing CO2-to-carbon pathways mainly yield amorphous or weakly graphitized solids. Here, we demonstrate a tandem electrochemical–thermochemical (EC-TC) strategy that overcomes these limitations. CO2 is first electrochemically reduced to a tunable mixture of C2H4 and CO, which is directly fed into a thermochemical reactor and converted into CNTs with controllable morphology and high CNT-to-metal mass ratios (~200) over NiFe catalysts at 750 °C. In situ synchrotron-based characterization and density functional theory calculations reveal that CO dissociation and C2H4 decomposition on NiFe alloys cooperatively promote CNT nucleation and sustained growth. This EC-TC strategy establishes a modular route for converting CO2 into value-added carbon nanomaterials.

03 NATURAL GAS↗
DOE OSTI2020

Optical subpicosecond nonvolatile switching and electron-phonon coupling in ferroelectric materials

Direct optical ferroelectric switching (FE switch) has the advantage of being ultrafast over the traditional FE switch, which relies on domain nucleation and growth. However, how to realize nonvolatility in such an optical FE switch poses a serious challenge. Time-dependent density-functional theory molecular dynamics study reveals that subpicosecond nonvolatile FE switches can be realized in GeTe and PbTiO 3 . Here, while optical tuning of the transition barrier and initiation of a directional atomic motion are crucial, the dephasing of the excited state holds the key for the realization of nonvolatility.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Understanding electronic peculiarities in tetragonal FeSe as local structural symmetry breaking

Traditional band theory of perfect crystalline solids often uses as input the structure deduced from diffraction experiments; when modeled by the minimal unit cell this often produces a spatially averaged model. The present study illustrates that this is not always a safe practice unless one examines if the intrinsic bonding mechanism is capable of benefiting from the formation of a distribution of lower symmetry local environments that differ from the macroscopically averaged structure. This can happen either due to positional or to magnetic symmetry breaking. By removing the constraint of a small crystallographic cell, the energy minimization in the density functional theory finds atomic and spin symmetry breaking, not evident in conventional diffraction experiments but being found by local probes such as atomic pair distribution function analysis. Here in this paper we report that large atomic and electronic anomalies in bulk tetragonal FeSe emerge from the existence of distributions of local positional and magnetic moment motifs. The found symmetry-broken motifs obtained by minimization of the internal energy represent what chemical bonding in the tetragonal phase prefers as intrinsic energy lowering (stabilizing) static distortions. This explains observations of band renormalization, predicts orbital order and enhanced nematicity, and provides unprecedented close agreement with spectral function measured by photoemission and local atomic environment revealed by the pair distribution function. While the symmetry-restricted strong correlation approach has been argued previously to be the exclusive theory needed for describing the main peculiarities of FeSe, we show here that the symmetry-broken mean-field approach addresses numerous aspects of the problem, provides intuitive insight into the electronic structure, and opens the door for large-scale mean-field calculations for similar d -electron quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Thickness dependence of magnetotransport properties of tungsten ditelluride

Here we investigate the electronic structure of tungsten ditelluride (WTe 2 ) flakes with different thicknesses in magnetotransport studies. The temperature-dependent resistance and magnetoresistance (MR) measurements both confirm the breaking of carrier balance induced by thickness reduction, which suppresses the “turn-on” behavior and large positive MR. The Shubnikov-de-Haas oscillation studies further confirm the thickness-dependent change of electronic structure of WTe 2 and reveal a possible temperature-sensitive electronic structure change. Finally, we report the thickness-dependent anisotropy of the Fermi surface, which reveals that multilayer WTe 2 is an electronic 3D material and the anisotropy decreases as thickness decreases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Breaking electron pairs in the pseudogap regime of SmTiO 3 − SrTiO 3 − SmTiO 3 quantum wells

The strongly correlated two-dimensional electron liquid within SmTiO 3 /SrTiO 3 /SmTiO 3 quantum well structures exhibits a pseudogap phase when the quantum well width is sufficiently narrow. Using low-temperature transport and optical experiments that drive the quantum-well system out of equilibrium, we find evidence of mobile, long-lived, negatively charged quasiparticles, consistent with the idea that the pseudogap phase arises from strongly bound electron pairs. As a result, these experimental results establish a connection between quantum confinement and enhanced electron pairing, which may provide a pathway to higher-temperature superconductors.

Correlated electronics↗
DOE OSTI2021

Rare Earth Engineering in R Mn 6 Sn 6 ( R = Gd–Tm, Lu) Topological Kagome Magnets

Exploration of the topological quantum materials with electron correlation is at the frontier of physics, as the strong interaction may give rise to new topological phases and transitions. Here we report that a family of kagome magnets RMn 6 Sn 6 manifest the quantum transport properties analogical to those in the quantum-limit Chern magnet TbMn 6 Sn 6 . The topological transport in the family, including quantum oscillations with nontrivial Berry phase and large anomalous Hall effect arising from Berry curvature field, points to the existence of Chern gapped Dirac fermions. Furthermore, our observation demonstrates a close relationship between rare-earth magnetism and topological electron structure, indicating the rare-earth elements can effectively engineer the Chern quantum phase in kagome magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Unified Approach to Polarons and Phonon-Induced Band Structure Renormalization

Ab initio calculations of the phonon-induced band structure renormalization are currently based on the perturbative Allen-Heine theory and its many-body generalizations. These approaches are unsuitable to describe materials where electrons form localized polarons. Here, we develop a self-consistent, many-body Green’s function theory of band structure renormalization that incorporates localization and self-trapping. Here, we show that the present approach reduces to the Allen-Heine theory in the weak-coupling limit, and to total energy calculations of self-trapped polarons in the strong-coupling limit. To demonstrate this methodology, we reproduce the path-integral results of Feynman and diagrammatic Monte Carlo calculations for the Fröhlich model at all couplings, and we calculate the zero point renormalization of the band gap of an ionic insulator including polaronic effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Ambipolar Transport in Polycrystalline GeSn Transistors for Complementary Metal-Oxide-Semiconductor Applications

Group-IV alloy GeSn is a promising material for electronic and optoelectronic applications due to its compatibility with both Si substrates and established Si fabrication processes. This study focuses on polycrystalline GeSn (10% Sn), which offers a cost-effective, large-area, and versatile alternative to epitaxial GeSn. We demonstrate ambipolar transport behavior in polycrystalline GeSn thin film transistors, achieving electron and hole field-effect mobilities reaching up to 0.05 cm 2 /Vs and 2.05 cm 2 /Vs, respectively. Through temperature-dependent analysis, we elucidate the underlying mechanism of this phenomenon, which we attribute to quantum tunneling between the Schottky barrier contact and the channel, as well as potential barriers between the grain boundaries of this polycrystalline film, thereby advancing the understanding of polycrystalline GeSn's electrical properties. Furthermore, this work highlights the potential of ambipolar transport as a technique to employ towards the development of GeSn complementary metal-oxide-semiconductor field-effect transistors, promising to simplify and reduce the cost of GeSn manufacturing processes for edge computing and sensing applications.

42 ENGINEERING↗
DOE OSTI2021

Cryogenic Considerations for Superconducting Magnet System Design for the Material Plasma Exposure eXperiment (MPEX)

The Material Plasma Exposure eXperiment (MPEX) has been proposed as a facility to address plasma material interaction knowledge gaps to qualify and develop materials and technologies that surround plasma environments for future fusion reactors. Utilizing different radio-frequency (rf) heating technologies, MPEX is a linear plasma device that will generate fusion reactor–like plasmas with energies and particle fluxes at the target materials with electron temperatures of 1 to 15 eV, electron densities of 10 20 to 10 21 m -3 , and ion fluxes greater than 10 24 m -2 s -1 . Starting with the MPEX requirements with respect to magnetic fields between 0.1 and 2.5 T and warm bores of either 0.65 m or 1.56 m, conceptual designs for a superconducting magnet system have been developed that utilize multiple NbTi windings distributed across seven cryostats to accommodate rf heating, water cooling, and vacuum systems needed for MPEX. While the cryogenic and magnet technologies relative to the field and space requirements are mature, the integration of these technologies across multiple cryostats presents several technical and logistical challenges. An analysis of the preferred refrigeration approach, modular recondensing liquid helium cryocoolers, was performed. Utilizing a design margin of a factor of two, this approach is feasible within the current design requirements for MPEX with some considerations related to its implementation within the thermal shields and the magnet subsystem geometries.

Duckworth, Robert↗
DOE OSTI2023

Self-Resonant Coil Design for High-frequency High-Power Inductive Wireless Power Transfer

In this paper, the design methodology of a high-frequency, high-power, long-distance inductive wireless power transfer (WPT) is presented. The airgap (d) of a traditional high-power (>1 kW) WPT is limited to a few hundred millimeters, which is almost 1/4th of the coil diameter, D; d ≤ D/4. In this paper, the power transfer distance is significantly increased (d ≥ 1.5D) by adopting a high-frequency magnetic design and GaN-based power electronics. The material and design of the coil and shield are investigated using FEA and tested experimentally. A high frequency 6.78 MHz wireless charging system was built to transfer 1 kW power over 3 m airgap.

Mohammad, Mostak↗
DOE OSTI2021

IN-SERVICE INSPECTION OF EXTENDED DRY STORAGE OF SPENT NUCLEAR FUEL, PART I: CRAWLER TECHNOLOGY DEVELOPMENT

This paper describes development and demonstration of remote crawling systems to support periodic examinations of interim dry storage system (DSS) canisters for spent nuclear fuel in the USA. Specifically, this work relates to robotic crawler developments for “canister” based DSS systems which form the majority population of DSSs, in the USA, for interim storage of spent nuclear fuel. Consideration of potential degradation of the welded stainless-steel canister in these systems is required for continued usage in the period of extended operation (PEO) beyond their initial licensed or certified terms. Challenges associated with performing the periodic examinations are associated with physical access to the canister surface which is constrained due to narrow annulus spaces between the canister and the overpack, tortuous entry pathways, and high temperatures and radiation doses that can be damaging to materials and electronics. Motivations for performing periodic examinations and developing robotic crawlers for performing those examinations remotely will be presented and several activities to demonstrate robotic crawlers for different DSS systems are summarized.

nondestructive examination (NDE), Dry Cask Storage↗
DOE OSTI2021

INSERVICE INSPECTION OF EXTENDED DRY STORAGE OF SPENT NUCLEAR FUEL, PART II: NDE/SENSOR TECHNOLOGY DEVELOPMENT AND CODIFICATION

This paper describes development and demonstration of nondestructive examination (NDE) technologies to support periodic examinations of interim dry cask storage system (DCSS) canisters for spent nuclear fuel in the USA to verify continued safe operation and that the canister confinement is intact and performing its intended safety function. Specifically, this work relates to NDE technology development for “canister” based DCSS systems which form the majority population of DCSSs, in the USA, for interim storage of spent nuclear fuel. Consideration of potential degradation of the welded stainless-steel canister in these systems is required for continued usage in the period of extended operation (PEO) beyond the initial license or certified term. Physical access to the canister surface is constrained due to narrow annulus spaces between the canister and the overpack, tortuous entry pathways, and high temperatures and radiation doses that can be damaging to materials and electronics related to inspections. Several activities to demonstrate NDE technologies for the inspections of different DCSS systems are summarized.

nondestructive examination (NDE), Dry Cask Storage↗
DOE OSTI2022

Rare earth elements from waste

Rare earth elements (REEs) are critical materials in electronics and clean technologies. With the diminishing of easily accessible minerals for mining, the REE recovery from waste is an alternative toward a circular economy. Present methods for REE recovery suffer from lengthy purifications, low extractability, and high wastewater streams. Here, we report an ultrafast electrothermal process (~3000°C, ~1 s) based on flash Joule heating (FJH) for activating wastes to improve REE extractability. FJH thermally degrades or reduces the hard-to-dissolve REE species to components with high thermodynamic solubility, leading to ~2× increase in leachability and high recovery yields using diluted acid (e.g., 0.1 M HCl). The activation strategy is feasible for various wastes including coal fly ash, bauxite residue, and electronic waste. The rapid FJH process is energy-efficient with a low electrical energy consumption of 600 kWh ton –1 . The potential for this route to be rapidly scaled is outlined.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Physics-assisted generative adversarial network for X-ray tomography

X-ray tomography is capable of imaging the interior of objects in three dimensions non-invasively, with applications in biomedical imaging, materials science, electronic inspection, and other fields. The reconstruction process can be an ill-conditioned inverse problem, requiring regularization to obtain satisfactory results. Recently, deep learning has been adopted for tomographic reconstruction. Unlike iterative algorithms which require a distribution that is known a priori , deep reconstruction networks can learn a prior distribution through sampling the training distributions. In this work, we develop a Physics-assisted Generative Adversarial Network (PGAN), a two-step algorithm for tomographic reconstruction. In contrast to previous efforts, our PGAN utilizes maximum-likelihood estimates derived from the measurements to regularize the reconstruction with both known physics and the learned prior. Compared with methods with less physics assisting in training, PGAN can reduce the photon requirement with limited projection angles to achieve a given error rate. The advantages of using a physics-assisted learned prior in X-ray tomography may further enable low-photon nanoscale imaging.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Probing electron-hole coherence in strongly driven 2D materials using high-harmonic generation

Under strong electromagnetic excitation, electron–hole (e-h) pairs may be generated in solids, which are subsequently driven to high energy and high momentum, producing high harmonics (HH) of the driving field. The HH efficiency depends on the degree of coherence between the driven electron and hole created by the laser field. Here, we disrupt this e-h coherence in an atomically thin semiconductor by photodoping via incoherent e-h pairs. We observe a strong, systematic harmonic order-dependent intensity reduction. This trend is explained by an exponential decay of the inter-band polarization, proportional to the sub-cycle excursion time of the e-h pair. Our study provides a platform to probe the importance of many-body effects, such as excitation density-dependent decoherence time for strongly driven electrons without the need of ultrashort laser pulses.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Degradation of CVD-Grown MoS2 Subjected to DC Electrical Stress

Devices containing transition metal dichalcogenides are being investigated for next generation electronics. Understanding material properties under typical use conditions is important for the longevity and effectiveness of these devices. In this study, CVD-grown MoS2 crystals with pre-existing defects from the growth process were subjected to DC-voltages of 10 V, 20 V, and 40 V for up to 96 h. The presence of pre-existing defects was found to lead to more extensive material damage that scales with voltage and time. SEM, AFM, Raman and photoluminescence imaging indicated regions of increased defect concentration post-electrical stress.

2D materials↗
DOE OSTI2021

SiPA | Simple Partnership Agreement for accelerating early-stage collaborations between startups and large corporations

The technologies required to advance society will come from research from a broad range of scientific disciplines including materials science, chemistry, physics, and biology where the innovation relies on a scientific breakthrough rather than a software or business model innovation. This science-based technology focus can be referred to as “hardtech,” although there is much crossover with the concept of “cleantech.” These new technology developments will have vast reach across most industrial sectors - energy, materials, manufacturing, electronics, life sciences, etc. - with great economic consequences. The majority of these scientific breakthroughs will be produced and developed by those companies best suited for high-risk, early-stage development work: startups.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗