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At least 829 records · Page 46

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NASA NTRS1995

Cryogenic Design of the Liquid Helium Experiment "Critical Dynamics in Microgravity"

Although many well controlled experiments have been conducted to measure the static properties of systems near criticality, few experiments have explored the transport properties in systems driven far away from equilibrium as a phase transition occurs. The cryogenic design of an experiment to study the dynamic aspect of critical phenomena is reported here. Measurements of the thermal gradient across the superfluid (He II)Юormal fluid (He I) interface in helium under microgravity conditions will be performed as a heat flux holds the system away from equilibrium. New technologies are under development for this experiment, which is in the definition phase for a space shuttle flight.

superfluid↗

DOE OSTI2025

Designing a quantum-accurate machine-learning potential to enable large-scale simulations of deuterium under shock

Large-scale molecular dynamics of deuterium under shock can elucidate kinetic processes vital to the target design in inertial confinement fusion and high-energy-density experiments. However, modeling the complex evolution of this material from an insulating molecular state at ambient pressure to an ionized, atomic fluid under strong shock is beyond the capability of simple pair and even bond order potentials. We thus train a quantum-accurate and broadly transferable machine-learning interatomic potential for deuterium using the Chebyshev Interaction Model for Efficient Simulations framework. We show that due to an improved description of the molecular-to-atomic transition, our model is able to better reproduce the ab initio equation of state, radial distribution functions, and principal Hugoniot than bond order potentials. This represents an important step toward large-scale quantum-accurate and nonequilibrium simulations of complicated systems under dynamic changes including phase transitions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Classification of fragile topology enabled by matrix homotopy

Flat bands in twisted materials have attracted considerable attention due to the emergence of correlated phases that can be associated with the non-Wannier-representable nature of its single-particle states. Specifically, these bands can exhibit a class of topology that can be nullified by the addition of trivial bands, termed fragile topology, which has required an expansion of prior classification schemes. However, existing approaches for predicting fragile topology rely on momentum-space methods, e.g., Wilson loops, presenting a fundamental challenge for using fragile topology as a predictor of correlated phases in aperiodic systems, such as incommensurate twist angles in moiré materials. Here, we develop a ℤ 2 energy-resolved topological marker for classifying fragile phases using a system’s position-space description, enabling the direct classification of finite, disordered, and aperiodic materials. By translating the physical symmetries protecting the system’s fragile topological phase into matrix symmetries of the system’s Hamiltonian and position operators, we use matrix homotopy to construct our topological marker while simultaneously yielding a quantitative measure of topological robustness. We demonstrate our framework’s effectiveness in both a low-energy tight-binding model and a continuum photonic crystal model of 𝐶 2 ⁢𝒯-symmetric systems, and find that fragile topology can both persist under strong disorder and even exhibit disorder-induced reentrant phase transitions. Our photonic crystal results also demonstrate the robustness of fragile topology, and the applicability of our approach, to heterostructures lacking a bulk spectral gap. Overall, our framework serves as an efficient tool for elucidating fragile topology, offering guidance for the prediction and discovery of correlated phases in both crystalline and aperiodic materials.

Lee, Ki Young [Sandia National Laboratories (SNL-N↗

DOE OSTI2025

Raman Laser-Induced Structural Modification in CVD-Grown Monolayer MoS 2 for Multi-Purposed Nanofabrication

Molybdenum disulfide (MoS 2 ) has been extensively explored to be utilized as an electronic material in a variety of device applications. In particular, the tunability of MoS 2 enhances its electrical properties making it an intriguing candidate for field-effect transistors (FETs), while also extending beyond electrical properties to structural phase engineering. Laser-induced modifications, particularly with Raman lasers, offer a straightforward method to modulate materials via thermal processes with precise patterning control and energy-level flexibility. However, most studies on the modification of MoS 2 have focused on multilayered structures or have been conducted under low-power laser conditions, leaving the feasibility of structural modifications in monolayer MoS 2 elusive. In this study, we fundamentally elucidated the effects of high-power Raman laser irradiation on the surface of chemical vapor deposition (CVD)-grown monolayer MoS 2 under ambient conditions and uncovered the underlying mechanisms of laser-induced modifications by applying intense photon energy with highly interactive reactions. Our results revealed both etching and deposition phenomena in two discernible regions, and it can be demonstrated by intensity regimes based on the spatial distribution of laser irradiance within the laser-irradiated spot. Furthermore, phase transition was found to be inhibited due to the promoted oxidation and the deposition of hydrogenated amorphous carbon (a-C:H), and p-type doping was observed, likely occurring in the region beneath the a-C:H deposition as substitutional doping on the 2H phase of MoS 2 . To compare the thermal effects, MoS 2 modifications were further analyzed using simplified heat transfer estimations. In conclusion, these findings deepen our understanding of how Raman laser irradiation modifies MoS 2 under ambient conditions, providing guidelines for optimizing its modification processes.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Magnetism in the axion insulator candidate Eu 5 In 2 Sb 6

Eu 5 In 2 Sb 6 is a member of a family of orthorhombic nonsymmorphic rare-earth intermetallics that combines large localized magnetic moments and itinerant exchange with a low carrier density and perpendicular glide planes. This may result in special topological crystalline (wallpaper fermion) or axion insulating phases. Recent studies of Eu 5 In 2 Sb 6 single crystals have revealed colossal negative magnetoresistance and multiple magnetic phase transitions. Here, we clarify this ordering process using neutron scattering, resonant elastic x-ray scattering, muon spin-rotation, and magnetometry. The nonsymmorphic and multisite character of Eu 5 In 2 Sb 6 results in coplanar noncollinear magnetic structures with an Ising-like net magnetization along the a axis. A reordering transition, attributable to competing ferro- and antiferromagnetic couplings, manifests as the onset of a second commensurate Fourier component. In the absence of spatially resolved probes, the experimental evidence for this low-temperature state can be interpreted either as an unusual double- q structure or in a phase separation scenario. The net magnetization produces variable anisotropic hysteretic effects which also couple to charge transport. The implied potential for functional domain physics and topological transport suggests that this structural family may be a promising platform to implement concepts of topological antiferromagnetic spintronics. Published by the American Physical Society 2024

Rahn, M. C. (ORCID:0000000174038288)↗

DOE OSTI2025

Atomic-Scale Tracking of Topological Defect Motion and Incommensurate Charge Order Melting

Charge order pervades the phase diagrams of quantum materials where it competes with superconducting and magnetic phases, hosts electronic phase transitions and topological defects, and couples to the lattice generating intricate structural distortions. Incommensurate charge order is readily stabilized in manganese oxides, where it is associated with anomalous electronic and magnetic properties, but its nanoscale structural inhomogeneity complicates precise characterization and understanding of its relationship with competing phases. Leveraging atomic-resolution variable-temperature cryogenic scanning transmission electron microscopy, we characterize the thermal evolution of charge order as it transforms from its ground state in a model manganite system. We find that mobile networks of discommensurations and dislocations generate phase inhomogeneity and induce global incommensurability in an otherwise lattice-locked modulation. Driving the order to melt at high temperatures, the discommensuration density grows, and regions of order locally decouple from the lattice periodicity. Published by the American Physical Society 2025

Schnitzer, Noah (ORCID:0000000210421146)↗

NASA NTRS1989

Cosmic evolution of non-topological solitons, paper 1

Nontopological solitons are stable field configurations which may be formed in a primordial phase transition. Their cosmic evolution is studied, and the possibility that such objects could contribute significantly to the energy density of the Universe is examined. As the Universe cools, initially all but the largest lumps evaporate into free particles; those which survive may subsequently enter a brief accretion phase before they freeze out at a final size. Although the minimum critical charges which survive depend on particle masses and couplings, researchers develop an analysis which applies to a wide class of models. In most cases, solitons of moderate size survive the evaporation process only if there is a significant charge asymmetry or if they form at a temperature well below their binding energy per charge.

Frieman, Joshua A.↗

NASA NTRS2005

Sabatier Methanation Reactor for Space Exploration

The Sabatier Methanation Reactor technology is of vital importance to the success of the human and robotic exploration program. In order to achieve an affordable program, the logistics supply to support the mission must be minimized to the fullest extent possible. One area of potential reduction with high return on investment is the closure of life support loops, particularly oxygen and water. The Sabatier system accomplishes this by utilizing hydrogen and carbon dioxide, waste products from the life support system, to produce water and methane. The recovered water is then recycled back into the life support system to provide oxygen; while the methane can be used for propulsion, or can be broken down further to recover the hydrogen. This technology is applicable not only to transit phases of exploration, but surface habitats as well as in-situ propellant production. The Sabatier Reactor system has been developed for ground based demonstration experiments extensively over the past 30 years. Over the past three years, NASA has funded development of the Sabatier Carbon Dioxide Reduction Assembly (CRA) for use on the ISS. Currently this system is at TRL 5 and it is expected that the system will be flown on the ISS as a flight experiment, The purpose of the flight experiment is to integrate the Sabatier CRA into a synchronized system with the oxygen generation system and the carbon dioxide concentrator. The flight experiment will verify the integration of the different systems working together plus it will verify the capability of the system to operate, and effectively separate its products in a micro-gravity environment. Subsequent to design validation, the flight experiment can remain onboard the ISS providing valuable water to offset logistics re-supply requirements. Some of the challenges facing the development of the Sabatier system include handling vibration induced particulates, microgravity phase separation and containment of hazardous gases. Plans for adequately addressing these issues will be presented. The Sabatier carbon dioxide reduction process will greatly benefit any of the extended duration human exploration missions because of the tremendous savings of consumables realized. Any of these mission scenarios, be they transit or surface based, must consider closing the life support loops in order to make the mission achievable, let alone affordable. Carbon dioxide reduction technology will be necessary for future outpost habitats, and the technology needs to be proven viable in a space application. The Sabatier methanation reaction is also a desirable method for producing propellant from the Mars atmosphere. The common system could be designed to accept carbon dioxide from an indoor air revitalization loop concentrator, or from an outdoor atmosphere compressor. Carbon dioxide reduction validation is but one step in the spiral development of the in-situ propellant production system desired for future planetary exploration.

Murdoch, Karen↗

DOE OSTI2026

Small Co-doping induced magnetic and electrical transitions in single crystal CaF⁢e 0.95 ⁢C⁢o 0.05 ⁢O 3

CaFe⁢O 3 and CaF⁢e 0.95 ⁢C⁢o 0.05 ⁢O 3 single crystals were grown by combing floating-zone method with high oxygen pressure treatment. Both crystals show charge disproportionation of Fe (F⁡e 4+ → F⁡e 3+ + F⁡e 5+ ) accompanied by a metal-to-insulator transition as well as a crystal structural transformation from Pbnm to 𝑃⁢2 1 /𝑛. However, the slight introduction of Co significantly suppresses the critical temperature of charge disproportionation from 290 K in CaFe⁢O 3 to 260 K in CaF⁢e 0.95 ⁢C⁢o 0.05 ⁢O 3 . Different from the single antiferromagnetic phase transition as observed in the polycrystalline CaFe⁢O 3 , two sequential antiferromagnetic transitions are found to occur in these two single crystals with the Néel temperatures around 119 and 112 K for CaFe⁢O 3 crystal and 109 and 98 K for CaF⁢e 0.95 ⁢C⁢o 0.05 ⁢O 3 crystal, respectively. Neutron diffraction illustrates the formation of a spiral antiferromagnetic structure. Moreover, as the temperature further decreases to 65 K, a third magnetic transition accompanied by a second electrical transition is observed in the slightly Co-doped CaF⁢e 0.95 ⁢C⁢o 0.05 ⁢O 3 crystal. In conclusion, first-principles calculations suggest that the introduction of a moderate amount of Co and the peculiar spiral spin texture play an important role in the presence of such new magnetic and electrical transitions.

Xia, Hailiang [Chinese Academy of Sciences (CAS), ↗

DOE OSTI2025

Tailoring the Reaction Heterogeneity for Robust Li‐Rich Cathodes

The practical application of Li-rich Mn-based layered oxides (LLO) cathode is hindered by severe capacity and voltage degradation resulting from severe oxygen release and irreversible phase transition. In this work, the reaction heterogeneity, which describes the spatially resolved electrochemical divergence within individual cathode particles, is engineered through compositional gradient design to couple Li + transport kinetics and the anion redox activity between particle interiors and surfaces. It is revealed that Co/Mn concentration gradient within particles creates heterogeneous phase content distribution and structural ordering, inducing surface-bulk reaction heterogeneity that significantly impacts the overall electrochemical performance. Specifically, Li 2 MnO 3 -poor and Co-enriched surface effectively mitigates the oxygen loss and enhances electrochemical reaction kinetics, benefited from the reduced surface redox reactivity and induced highly ordered intra-layered cationic arrangement. Meanwhile, the Li 2 MnO 3 -enriched core with slight Li/Ni intermixing provides high reversible capacity and strong mechanical stability. Consequently, the greatly enhanced anion redox reversibility, Li + diffusion dynamics, and structure stability endow LLO with exceptional electrochemical properties, showing a capacity retention of 86.0% and a reduced voltage decay of 0.518 mV per cycle after 500 cycles at 1 C. This work provides a valuable strategy to tailor the redox chemistry and achieve robust LLO.

25 ENERGY STORAGE↗

DOE OSTI2024

The Role of Interfacial Interactions and Oxygen Vacancies in Tuning Magnetic Anisotropy in LaCrO 3 /LaMnO 3 Heterostructures

The interplay of lattice, electronic, and spin degrees of freedom at epitaxial complex oxide interfaces provides a route to tune their magnetic ground states. Unraveling the competing contributions is critical for tuning their functional properties. The relationship between magnetic ordering and magnetic anisotropy and the lattice symmetry, oxygen content, and film thickness in compressively strained LaMnO 3 (LMO)/LaCrO 3 (LCO) superlattices is investigated. Mn–O–Cr antiferromagnetic superexchange interactions across the heterointerface result in a net ferrimagnetic magnetic structure. Bulk magnetometry measurements reveal isotropic in-plane magnetism for as-grown oxygen-deficient thin samples due to equal fractions of orthorhombic a+a-c-, and a-a+c- twin domains. As the superlattice thickness is increased, in-plane magnetic anisotropy emerges as the fraction of the a+a-c- domain increases. On annealing in oxygen, the suppression of oxygen vacancies results in a contraction of the lattice volume, and an orthorhombic to rhombohedral transition leads to isotropic magnetism independent of the film thickness. The complex interactions are investigated using high-resolution synchrotron diffraction and X-ray absorption spectroscopy. These results highlight the role of the evolution of structural domains with film thickness, interfacial spin interactions, and oxygen-vacancy-induced structural phase transitions in tuning the magnetic properties of complex oxide heterostructures.

36 MATERIALS SCIENCE↗

NASA NTRS1993

Hard turbulent thermal convection and thermal evolution of the mantle

Hard turbulent convection is investigated using laboratory experiments and numerical simulations. In Newtonian mantle convection, the appearance of disconnected plumes marks the transition from soft to hard turbulence. For non-Newtonian rheology, the transition to hard turbulence takes place at much lower Nusselt numbers than it does for Newtonian rheology. This has important ramifications for the mantle. Large curvatures are developed in the trajectories of non-Newtonian plumes in the hard turbulent regime, in contrast to the trajectories of Newtonian plumes. When phase transitions are considered, mantle convection tends to become more layered with increasing Rayleigh numbers. The manner of mantle convection might have changed with time from a layered to a more whole mantle type of flow. Superplume events could have been caused by catastrophic overturns associated with strong gravitational instabilities in the transition zone.

Yuen, D. A.↗

NASA NTRS2009

Solar Wind Ablation of Terrestrial Planet Atmospheres

Internal plasma sources usually arise in planetary magnetospheres as a product of stellar ablation processes. With the ignition of a new star and the onset of its ultraviolet and stellar wind emissions, much of the volatiles in the stellar system undergo a phase transition from gas to plasma. Condensation and accretion into a disk is replaced by radiation and stellar wind ablation of volatile materials from the system- Planets or smaller bodies that harbor intrinsic magnetic fields develop an apparent shield against direct stellar wind impact, but UV radiation still ionizes their gas phases, and the resulting internal plasmas serve to conduct currents to and from the central body along reconnected magnetic field linkages. Photoionization and thermalization of electrons warms the ionospheric topside, enhancing Jeans' escape of super-thermal particles, with ambipolar diffusion and acceleration. Moreover, observations and simulations of auroral processes at Earth indicate that solar wind energy dissipation is concentrated by the geomagnetic field by a factor of 10-100, enhancing heavy species plasma and gas escape from gravity, and providing more current carrying capacity. Thus internal plasmas enable coupling with the plasma, neutral gas and by extension, the entire body. The stellar wind is locally loaded and slowed to develop the required power. The internal source plasma is accelerated and heated, inflating the magnetosphere as it seeks escape, and is ultimately blown away in the stellar wind. Bodies with little sensible atmosphere may still produce an exosphere of sputtered matter when exposed to direct solar wind impact. Bodies with a magnetosphere and internal sources of plasma interact more strongly with the stellar wind owing to the magnetic linkage between the two created by reconnection.

Moore, Thomas Earle↗

NASA NTRS2021

Semiconductor to Metal Transition in the Solids/Melts of Te and Pseudo-Binary of Hg1-xCdxTe for x = 0, 0.1 and 0.2

This paper reports the experimentally measured thermal and electrical conductivities from which the Lorenz numbers as functions of temperature were derived for the solids and melts of elemental Te and samples of Hg1-xCdxTe of x = 0, 0.1 and 0.2. The structural changes in the vicinity of the solid-liquid phase transition of elemental Te and various Hg1-xCdxTe solid solutions were assessed by closely examining these experimental properties and the derived Lorenz numbers. The values of Lorenz numbers for the solids of these samples were higher than the value of L0, i.e., the Lorenz number for the free electron gas derived by Sommerfeld, implying the characteristics of non-degenerate semiconductor. With the increasing value of x, or the larger bandgap, the materials become more non-degenerate with larger deviation from L0. As the solids started to melt, the measured values of Lorenz number for all samples started to decrease and eventually reached and maintained at values close to L0 at higher temperatures. The trend of the Lorenz number indicates that the transition from non-degenerate semiconductor of the solid samples to metal or degenerate semiconductor when the samples temperature reached above their liquidus temperatures.

thermal conductivity↗

DOE OSTI2025

Fluorogenic Biosensing with Tunable Polydiacetylene Vesicles

Polydiacetylenes (PDAs) are conjugated polymers that are well known for their colorimetric transition from blue to red with the application of energetic stimulus. Sensing platforms based on polymerized diacetylene surfactant vesicles and other structures have been widely demonstrated for various colorimetric biosensing applications. Although less studied and utilized, the transition also results in a change from a non-fluorescent to a highly fluorescent state, making polydiacetylenes useful for both colorimetric and fluorogenic sensing applications. Here, we focus on the characterization and optimization of polydiacetylene vesicles to tune their sensitivity for fluorogenic sensing applications. Particularly, we look at how the structure of the diacetylene (DA) hydrocarbon tail and headgroup affect the self-assembled vesicle size and stability, polymerization kinetics, and the fluorogenic, blue to red phase transition. Longer DA acyl tails generally resulted in smaller and more stable vesicles. The polymerization kinetics and the blue to red transition were a function of both the DA acyl tail length and structure of the headgroup. Decreasing the acyl tail length generally led to vesicles that were more sensitive to energetic stimuli. Headgroup modifications had different effects depending on the structure of the headgroup. Ethanolamine headgroups resulted in vesicles with potentially increased stimuli responsivity. The lower energy stimulus to induce the chromatic transition was attributed to an increase in headgroup hydrogen bonding and polymer backbone strain. Boronic-acid headgroup functionalization led to vesicles that were generally unstable, only weakly polymerized, and unable to fully transform to the red phase due to strong polar, aromatic headgroup interactions. This work presents the design of PDA vesicles in the context of biosensing platforms and includes a discussion of the past, present, and future of PDA biosensing.

Chemistry↗

DOE OSTI2024

Local probe of bulk and edge states in a fractional Chern insulator

The fractional quantum Hall effect is a key example of topological quantum many-body phenomena, arising from the interplay between strong electron correlation, topological order and time-reversal symmetry breaking. Recently, a lattice analogue of the fractional quantum Hall effect at zero magnetic field has been observed, confirming the existence of a zero-field fractional Chern insulator (FCI). Despite this, the bulk–edge correspondence—a hallmark of a FCI featuring an insulating bulk with conductive edges—has not been directly observed. In fact, this correspondence has not been visualized in any system for fractional states owing to experimental challenges. Here we report the imaging of FCI edge states in twisted MoTe 2 (t-MoTe 2 ) using microwave impedance microscopy. By tuning the carrier density, we observe the system evolving between metallic and FCI states, the latter of which exhibits insulating bulk and conductive edges, as expected from the bulk–boundary correspondence. Further analysis suggests the composite nature of the FCI edge states. We also observe the evolution of edge states across the topological phase transition as a function of interlayer electric field and reveal exciting prospects of neighbouring domains with different fractional orders. Furthermore, these findings pave the way for research into topologically protected one-dimensional interfaces between various anyonic states at zero magnetic field, such as gapped one-dimensional symmetry-protected phases with non-zero topological entanglement entropy, Halperin–Laughlin interfaces and the creation of non-abelian anyons.

Imaging techniques↗

DOE OSTI2026

Chiral superconductivity from a parent Chern band and its non-Abelian generalization

Here, we propose a minimal model starting from a parent Chern band with quartic dispersion that can describe the spin-valley polarized electrons in rhombohedral tetralayer graphene. The interplay between repulsive and attractive interactions on top of that parent Chern band is studied. We conduct standard self-consistent mean-field calculations, and find a rich phase diagram that consists of metal, quantum anomalous Hall crystal, chiral topological superconductor, as well as trivial gapped Bose-Einstein condensate. In particular, there exists a topological phase transition from the chiral superconductor to the Bose-Einstein condensate at zero temperature. Motivated by the recent experimental and theoretical studies of composite Fermi liquid in rhombohedral stacked multilayer graphene, we further generalize the physical electron model to its composite fermion counterpart based on a field theory analysis. The chiral superconductor phase of the composite fermion becomes the non-abelian Moore-Read quantum Hall phase. We argue that a chiral (pseudo-)spin liquid phase can emerge in the vicinity of this Moore-Read quantum Hall phase. Our work suggests rhombohedral multilayer graphene as a potential platform for rich correlated topological phases.

Wang, Yan-Qi [University of Maryland, College Park↗

NASA NTRS1982

Diffraction studies of the high pressure phases of GaAs and GaP

High pressure structural phase transitions of GaAs and GaP have been studied by energy dispersive X-ray diffraction with the radiation from the Cornell High Energy Synchrotron Source. GaAs began to transform at 172 + or - 7 kbar to an orthorhombic structure possibly belonging to space group Fmmm. GaP transformed to a tetragonal beta-Sn type phase at 215 + or - 8 kbar. Although pressure transmitting media were used to minimize shear stresses in the specimens, the high pressure diffraction results were interpreted as showing evidence for planar defects in the specimens.

Baublitz, M., Jr.↗