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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Nanosecond Structural Dynamics during Electrical Melting of Charge Density Waves in 1⁢T-TaS 2

Electrical control of charge density waves has been of immense interest, as the strong underlying electron-lattice interactions potentially open new, efficient pathways for manipulating their ordering and, consequently, their electronic properties. However, the transition mechanisms are often unclear as electric field, current, carrier injection, heat, and strain can all contribute and play varying roles across length scales and timescales. Here, we provide insight on how electrical stimulation melts the room temperature charge density wave order in 1T-TaS 2 by visualizing the atomic and mesoscopic structural dynamics from quasistatic to nanosecond pulsed melting. Using a newly developed ultrafast electron microscope setup with electrical stimulation, we reveal the order and strain dynamics during voltage pulses as short as 20 ns. The order parameter dynamics across a range of pulse amplitudes and durations support a thermally driven mechanism even for fields as high as 19 kV cm -1 . In addition, time-resolved imaging reveals a heterogeneous, mesoscopic strain response across the flake, including MHz-scale acoustic resonances that emerge during sufficiently short pulsed excitation which may modulate the order. In conclusion, these results suggest that metallic charge density wave phases like studied here may be more robust to electronic switching pathways than insulating ones, motivating further investigations at higher fields and currents in this and other related systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Unzipping hBN with ultrashort mid-infrared pulses

Manipulating the nanostructure of materials is critical for numerous applications in electronics, magnetics, and photonics. However, conventional methods such as lithography and laser writing require cleanroom facilities or leave residue. We describe an approach to creating atomically sharp line defects in hexagonal boron nitride (hBN) at room temperature by direct optical phonon excitation with a mid-infrared pulsed laser from free space. We term this phenomenon “unzipping” to describe the rapid formation and growth of a crack tens of nanometers wide from a point within the laser-driven region. Formation of these features is attributed to the large atomic displacement and high local bond strain produced by strongly driving the crystal at a natural resonance. This process occurs only via coherent phonon excitation and is highly sensitive to the relative orientation of the crystal axes and the laser polarization. Its cleanliness, directionality, and sharpness enable applications such as polariton cavities, phonon-wave coupling, and in situ flake cleaving.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Improved optical standing-wave beam splitters for dilute Bose–Einstein condensates

Bose–Einstein condensate (BEC)-based atom interferometry exploits low temperatures and long coherence lengths to facilitate high-precision measurements. Progress in atom interferometry promises improvements in navigational devices like gyroscopes and accelerometers, as well as applications in fundamental physics such as accurate determination of physical constants. Previous work demonstrates that beam splitters and mirrors for coherent manipulation of dilute BEC momentum in atom interferometers can be implemented with sequences of non-resonant standing-wave light pulses. While previous work focuses on the optimization of the optical pulses’ amplitude and duration to produce high-order momentum states with high fidelity, we explore how varying the shape of the optical pulses affects optimal beam-splitter performance, as well as the effect of pulse shape on the sensitivity of optimized parameters in achieving high fidelity in high-momentum states. Here, in simulations of two-pulse beam splitters utilizing optimized square, triangle, and sinc-squared pulse shapes applied to dilute BECs, we, in some cases, reduce parameter sensitivity by an order of magnitude while maintaining fidelity.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Tunable Nanoscale Evolution and Topological Phase Transitions of a Polar Vortex Supercrystal

Here, understanding the phase transitions and domain evolutions of mesoscale topological structures in ferroic materials is critical to realizing their potential applications in next-generation high-performance storage devices. Here, the behaviors of a mesoscale supercrystal are studied with 3D nanoscale periodicity and rotational topology phases in a PbTiO 3 /SrTiO 3 (PTO/STO) superlattice under thermal and electrical stimuli using a combination of phase-field simulations and X-ray diffraction experiments. A phase diagram of temperature versus polar state is constructed, showing the formation of the supercrystal from a mixed vortex and α-twin state and a temperature-dependent erasing process of a supercrystal returning to a classical α-twin structure. Under an in-plane electric field bias at room temperature, the vortex topology of the supercrystal irreversibly transforms to a new type of stripe-like supercrystal. Under an out-of-plane electric field, the vortices inside the supercrystal undergo a topological phase transition to polar skyrmions. These results demonstrate the potential for the on-demand manipulation of polar topology and transformations in supercrystals using electric fields. The findings provide a theoretical understanding that may be utilized to guide the design and control of mesoscale polar structures and to explore novel polar structures in other systems and their topological nature.

P=phase-field simulations↗
DOE OSTI2023

Atomistic Origins of Reversible Noncatalytic Gas–Solid Interfacial Reactions

Noncatalytic gas-solid reactions are a large group of heterogeneous reactions that are usually assumed to occur irreversibly because of the strong driving force to favor the forward direction toward the product formation. Using the example of Ni oxidation into NiO with CO 2 , herein we demonstrate the existence of the reverse element that results in the NiO reduction from the countering effect of the gaseous product of CO. Using in-situ electron microscopy observations and atomistic modeling, we show that the oxidation process occurs via preferential CO 2 adsorption along step edges that results in step-flow growth of NiO layers, and the presence of Ni atoms on the flat NiO surface promotes the nucleation of NiO layers. Simultaneously, the NiO reduction happens via preferential step-edge adsorption of CO that leads to the receding motion of atomic steps, and the presence of Ni vacancies in the NiO surface facilitates the CO adsorption induced surface pitting. Based on the in-situ TEM observations, temperature and CO 2 pressure effect maps are constructed to illustrate the spatiotemporal dynamics of the competing NiO redox reactions. We report, these results demonstrate the rich gas-solid surface reaction dynamics induced by the co-existing forward and reverse reaction elements and have practical applicability in manipulating gas-solid reactions via controlling the gas environment or atomic structure of the solid surface to steer the reaction toward the desired direction.

25 ENERGY STORAGE↗
DOE OSTI2020

Alaskan carbon-climate feedbacks will be weaker than inferred from short-term experiments

Climate warming is occurring fastest at high latitudes. Based on short-term field experiments, this warming is projected to stimulate soil organic matter decomposition, and promote a positive feedback to climate change. We show here that the tightly coupled, nonlinear nature of high-latitude ecosystems implies that short-term (<10 year) warming experiments produce emergent ecosystem carbon stock temperature sensitivities inconsistent with emergent multi-decadal responses. We first demonstrate that a well-tested mechanistic ecosystem model accurately represents observed carbon cycle and active layer depth responses to short-term summer warming in four diverse Alaskan sites. We then show that short-term warming manipulations do not capture the non-linear, long-term dynamics of vegetation, and thereby soil organic matter, that occur in response to thermal, hydrological, and nutrient transformations belowground. Our results demonstrate significant spatial heterogeneity in multi-decadal Arctic carbon cycle trajectories and argue for more mechanistic models to improve predictive capabilities.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Controllable vortex shedding from dissipative exchange flows in ferromagnetic channels

Ferromagnetic channels subject to spin injection at one extremum sustain long-range coherent textures that carry spin currents known as dissipative exchange flows (DEFs). In the weak injection regime, spin currents carried by DEFs decay algebraically and extend through the length of the channel, a regime known as spin superfluidity. Similar to fluids, these structures are prone to phase slips that manifest as vortex-antivortex pairs. In this work, we numerically study vortex shedding from DEFs excited in a magnetic nanowire with a physical obstacle. Using micromagnetic simulations, we find regimes of laminar flow and vortex shedding as a function of obstacle position tunable by the spin injection sign and magnitude. Vortex-antivortex pairs translate forward (VF regime) or backward (VB regime) with respect to the detector's extremum, resulting in well-defined spectral features. Qualitatively similar results are obtained when temperature, anisotropy, and weak nonlocal dipole fields are included in the simulations. These results provide clear features associated with DEFs that may be detected experimentally in devices with nominally identical boundary conditions. Furthermore, our results suggest that obstacles can be considered as DEF control gates, opening an avenue to manipulate DEFs via physical defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

TARP Identifying Critical Thresholds for Acute Response of Plants and Ecosystems to Water Stress at Walker Branch Watershed, 2002-2005

This dataset contains data from a manipulative field study aimed at identifying critical thresholds for acute response of plants and ecosystems to water stress (TARP) that took place at Walker Branch Watershed in Oak Ridge, Tennessee from 2002-2005 (2002-06-20 to 2005-12-16). The study used understory tents for the removal of 100% of the growing-season throughfall and stem flow, to provide data on the impact of acute drought on mechanisms responsible for growth and mortality of deciduous forest canopy trees representative of common plant functional types (Liriodendron and Quercus). Through three years of manipulation (2003, 2004 and 2005; pretreatment measurements in 2002) various measures of tree response to surface moisture deficits were recorded including root and leaf traits, plant nonstructural carbohydrates status, hourly sapflow, basal area, and periodic observations of foliar photosynthesis and conductance. Additionally, environmental data such as air and soil temperature, soil water content, and soil matric potential were recorded. This dataset contains data 16 files in comma-separate (*.csv) format. Additional metadata are provided: 16 data dictionaries and a file-level metadata file in comma separate (*.csv) format and a user guide in PDF (*.pdf) format.

basal area↗
DOE OSTI2021

Manipulation of Exciton Dynamics in Single-Layer WSe 2 Using a Toroidal Dielectric Metasurface

Recent advances in emerging atomically thin transition metal dichalcogenide semiconductors with strong light–matter interactions and tunable optical properties provide novel approaches for realizing new material functionalities. Coupling two-dimensional semiconductors with all-dielectric resonant nanostructures represents an especially attractive opportunity for manipulating optical properties in both the near-field and far-field regimes. In this work, by integrating single-layer WSe 2 and titanium oxide (TiO 2 ) dielectric metasurfaces with toroidal resonances, we realized robust exciton emission enhancement over 1 order of magnitude at both room and low temperatures. Furthermore, we could control exciton dynamics and annihilation by using temperature to tailor the spectral overlap of excitonic and toroidal resonances, allowing us to selectively enhance the Purcell effect. Our results provide rich physical insight into the strong light–matter interactions in single-layer TMDs coupled with toroidal dielectric metasurfaces, with important implications for optoelectronics and photonics applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Driving magnetic domains at the nanoscale by interfacial strain-induced proximity

Here, we investigate the local nanoscale changes of the magnetic anisotropy of a Ni film subject to an inverse magnetostrictive effect by proximity to a V 2 O 3 layer. Using temperature-dependent photoemission electron microscopy (PEEM) combined with X-ray magnetic circular dichroism (XMCD), direct images of the Ni spin alignment across the first-order structural phase transition (SPT) of V 2 O 3 were obtained. We find an abrupt temperature-driven reorientation of the Ni magnetic domains across the SPT, which is associated with a large increase of the coercive field. Moreover, angular dependent ferromagnetic resonance (FMR) shows a remarkable change in the magnetic anisotropy of the Ni film across the SPT of V 2 O 3 . Micromagnetic simulations based on these results are in quantitative agreement with the PEEM data. Direct measurements of the lateral correlation length of the Ni domains from XMCD images show an increase of almost one order of magnitude at the SPT compared to room temperature, as well as a broad spatial distribution of the local transition temperatures, thus corroborating the phase coexistence of Ni anisotropies caused by the V 2 O 3 SPT. We show that the rearrangement of the Ni domains is due to strain induced by the oxide layers’ structural domains across the SPT. Our results illustrate the use of alternative hybrid systems to manipulate magnetic domains at the nanoscale, which allows for engineering of coercive fields for novel data storage architectures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A single amino acid change led to structural and functional differentiation of PvHd1 to control flowering in switchgrass

Abstract Switchgrass, a forage and bioenergy crop, occurs as two main ecotypes with different but overlapping ranges of adaptation. The two ecotypes differ in a range of characteristics, including flowering time. Flowering time determines the duration of vegetative development and therefore biomass accumulation, a key trait in bioenergy crops. No causal variants for flowering time differences between switchgrass ecotypes have, as yet, been identified. In this study, we mapped a robust flowering time quantitative trait locus (QTL) on chromosome 4K in a biparental F2 population and characterized the flowering-associated transcription factor gene PvHd1, an ortholog of CONSTANS in Arabidopsis and Heading date 1 in rice, as the underlying causal gene. Protein modeling predicted that a serine to glycine substitution at position 35 (p.S35G) in B-Box domain 1 greatly altered the global structure of the PvHd1 protein. The predicted variation in protein compactness was supported in vitro by a 4 °C shift in denaturation temperature. Overexpressing the PvHd1-p.35S allele in a late-flowering CONSTANS-null Arabidopsis mutant rescued earlier flowering, whereas PvHd1-p.35G had a reduced ability to promote flowering, demonstrating that the structural variation led to functional divergence. Our findings provide us with a tool to manipulate the timing of floral transition in switchgrass cultivars and, potentially, expand their cultivation range.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Exploring and Embracing Heterogeneity in Atomically Thin Energy Materials

Atomically thin semiconductors offer extraordinary opportunities for the manipulation of charge carriers, many-body optical excitations, quantum light emitters, and non-charge based quantum numbers. Confinement and reduced dielectric screening in these two-dimensional (2D) materials give rise to large characteristic energies so that many-body and quantum effects are important even at room temperature. Optical excitations in extended homogeneous areas have been investigated intensely, albeit mostly focusing on a limited set of materials, particularly transition metal dichalcogenides. Much less understood are light-matter interactions for other classes of 2D semiconductors, as well as effects that arise in heterogeneous materials, either near naturally occurring defects, impurities, edges and grain boundaries, or as a result of intentional interface formation in heterostructures. Addressing such systems experimentally involves significant challenges: Understanding the atomistic growth mechanisms of 2D semiconductors, so that novel systems with designed properties, specific ‘imperfections’, or controlled interfaces can be realized; and probing of local excitations at scales that match the relevant (micrometer to nanometer) length scales in heterogeneous materials. In this research project, we addressed these challenges by harnessing quantitative in-situ microscopy to study the growth of 2D and layered semiconductors and heterostructures, combined with local spectroscopic measurements of quasiparticles excited at the nanometer scale. An integral part of the research has been the development of novel experimental approaches, both for in-situ microscopy of synthesis and for nanometer-scale spectroscopy. In particular, advanced techniques were developed for cathodoluminescence in scanning transmission electron microscopy (STEM-CL) where a nanometer-focused electron beam is used to locally excite electron-hole pairs, excitons, as well as propagating hybrid light-matter modes such as exciton-polaritons. Experiments were guided and analyzed via computations of structure, chemistry, and excitation spectra. The particular materials focus has been on group IV chalcogenides, a family of less explored 2D/layered semiconductors whose diversity in crystal structure and properties promises access to novel materials architectures and the discovery of phenomena that can support emerging technology needs.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Understanding the speciation of molten iodide salts via spectro-electrochemistry

Iodine is a high yield fission product of concern for the environmental effects due to its high volatility and biological impacts to the human body. Iodine speciation in molten salts, specifically iodide salts, is not well understood due to its reactivity at higher temperature domains. UV-Vis spectroscopy indicates a change in the speciation of the molten iodide salts starting at 500oC based on the decomposition of the salt itself, forming I3- ions. This work investigated the spectral changes of I- ions in molten LiI-KI and LiI-KI-NiI2 while manipulating the salts electrochemically using an inert graphite electrode at 400oC.The Li+/Li(s) and the Ni2+/Ni(s) transitions were studied using cyclic voltammetry, chronoamperometry/chronopotentiometry to characterize the respective reduction-oxidation waves. As cyclic voltammetry was applied, the UV-Vis spectroscopy showed a change in the characteristic signal of molten LiI-KI, indicating a disproportionation reaction in the molten salt, leading to formation of I3- ions and I2 gas.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

Magnetic skyrmionic structures with variable topological charges in engineered Dzyaloshinskii-Moriya interaction systems

Magnetic skyrmionic structures, including magnetic skyrmions and antiskyrmions, are characterized by swirling spin textures with non-trivial topologies. They are featured with specific topological charges, Q , which are of crucial importance in determining their topological properties. Owing to the invariance of the chiral nature, it is generally believed that Q is conserved in a given magnetic skyrmionic structure and is hard to alter. Here, we experimentally realize the control of Q of magnetic skyrmionic structures at room temperature in a Dzyaloshinskii-Moriya interaction (DMI) platform with spatially alternating signs. Depending on how many times it crosses the interfaces between DMI regions with opposite signs, the magnetic skyrmionic structures possess different Q . Modifying the DMI energy landscape through chemisorbed oxygen, a magnetic topological transition is realized. This creation and manipulation of magnetic skyrmionic structures with controllable Q , in particular the DMI-stabilized thin-film antiskyrmions and high- Q skyrmionic structures, enables a new degree of freedom to control their dynamics via a novel DMI confinement effect. Our findings open up an unexplored avenue on various topological magnetic skyrmionic structures and their potential applications.

magnetic properties and materials↗
DOE OSTI2024

Manipulating chiral spin transport with ferroelectric polarization

A magnon is a collective excitation of the spin structure in a magnetic insulator and can transmit spin angular momentum with negligible dissipation. This quantum of a spin wave has always been manipulated through magnetic dipoles (that is, by breaking time-reversal symmetry). Here we report the experimental observation of chiral spin transport in multiferroic BiFeO 3 and its control by reversing the ferroelectric polarization (that is, by breaking spatial inversion symmetry). The ferroelectrically controlled magnons show up to 18% modulation at room temperature. The spin torque that the magnons in BiFeO 3 carry can be used to efficiently switch the magnetization of adjacent magnets, with a spin-torque efficiency comparable to the spin Hall effect in heavy metals. Utilizing such controllable magnon generation and transmission in BiFeO 3 , an all-oxide, energy-scalable logic is demonstrated composed of spin-orbit injection, detection and magnetoelectric control. In conclusion, our observations open a new chapter of multiferroic magnons and pave another path towards low-dissipation nanoelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Spontaneous Chirality Flipping in an Orthogonal Spin-Charge Ordered Topological Magnet

The asymmetric distribution of chiral objects with opposite chirality is of great fundamental interest ranging from molecular biology to particle physics. In quantum materials, chiral states can build on inversion-symmetry-breaking lattice structures or emerge from spontaneous magnetic ordering induced by competing interactions. Although the handedness of a chiral state can be changed through external fields, a spontaneous chirality flipping has yet to be discovered. We present experimental evidence of chirality flipping via changing temperature in a topological magnet EuAl 4 , which features orthogonal spin density waves (SDW) and charge density waves (CDW). Using circular dichroism of Bragg peaks in the resonant magnetic x-ray scattering, we find that the chirality of the helical SDW flips through a first-order phase transition with modified SDW wavelength. Intriguingly, we observe that the CDW couples strongly with the SDW and displays a rare commensurate-to-incommensurate transition at the chirality flipping temperature. Combining with first-principles calculations and angle-resolved photoemission spectroscopy, our results support a Fermi surface origin of the helical SDW with intertwined spin, charge, and lattice degrees of freedom in EuAl 4 . Our results reveal an unprecedented spontaneous chirality flipping and lay the groundwork for a new functional manipulation of chirality through momentum-dependent spin-charge-lattice interactions. Published by the American Physical Society 2024

3-dimensional systems↗
DOE OSTI2021

Tuning the room temperature ferromagnetism in Fe 5 GeTe 2 by arsenic substitution

In order to tune the magnetic properties of the cleavable high-Curie temperature ferromagnet Fe$_{5-x}$GeTe 2 , the effect of increasing the electron count through arsenic substitution has been investigated. Small additions of arsenic (2.5% and 5%) seemingly enhance ferromagnetic order in polycrystalline samples by quenching fluctuations on one of the three magnetic sublattices, whereas larger As concentrations decrease the ferromagnetic Curie temperature (T C ) and saturation magnetization. Furthermore, this work also describes the growth and characterization of Fe 4.8 AsTe 2 single crystals that are structurally analogous to Fe$_{5-x}$GeTe 2 but with some phase stability complications. Magnetization measurements reveal dominant antiferromagnetic behavior in Fe 4.8 AsTe 2 with a Néel temperature of $T_{\textrm{N}} \approx$ 42 K. A field-induced spin-flop below T N results in a switch from negative to positive magnetoresistance, with significant hysteresis causing butterfly-shaped resistance loops. In addition to reporting the properties of Fe 4.8 AsTe 2 , this work shows the importance of manipulating the individual magnetic sublattices in Fe$_{5-x}$GeTe 2 and motivates further efforts to control the magnetic properties in related materials by fine tuning of the Fermi energy or crystal chemistry.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Intrinsic and doping-enhanced superconductivity in monolayer 1 H − TaS 2 : Critical role of charge ordering and spin-orbit coupling

The interplay of superconductivity with charge density wave (CDW) in metallic transition-metal dichalcogenides has been widely debated, and viable strategies manipulating these quantum states in the two-dimensional (2D) limit remain unclear. Using the ab initio anisotropic Migdal-Eliashberg theory, we successfully explain the superconductivity observed in monolayer 1H-TaS 2 by simultaneously determining its precise CDW structure and treating the marked modification of electron-phonon interaction and critical temperature T c by spin-orbit coupling effects. With this paradigm, we further show that electron doping weakens the CDW order leading to increased T c up to 11 K, along with a single-gap to two-gap superconductivity transition due to the suppression of the CDW gap. By contrast, a low hole doping barely affects the CDW but still yields a significantly enhanced superconducting order, implying their good coexistence. Combined with the synergistic behavior of CDW and superconductivity, which cooperate upon TaS 2 thickness reduction causing an unusual rise of T c , our results unravel diversified interactions between the two collective orders in ultrathin TaS 2 , being competition, coexistence or cooperation depending on external stimuli, which provide key clues for controlling correlated states in devices based on 2D CDW superconductors.

36 MATERIALS SCIENCE↗