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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Confocal Raman Microscopy for Measuring In Situ Temperature-Dependent Structural Changes in Poly(Ethylene Oxide) Thin Films

Crystallization from the melt is a critical process governing the properties of semi-crystalline polymeric materials. While structural analyses of melting and crystallization transitions in bulk polymers have been widely reported, in contrast, those in thin polymer films on solid supports have been underexplored. Herein, in situ Raman microscopy and self-modeling curve resolution (SMCR) analysis are applied to investigate the temperature-dependent structural changes in poly(ethylene oxide) (PEO) films during melting and crystallization phase transitions. By resolving complex overlapping sets of spectra, SMCR analysis reveals that the thermal transitions of 50 µm thick PEO films comprise two structural phases: an ordered crystalline phase and a disordered amorphous phase. The ordered structure of the crystalline PEO film entirely disappears as the polymer is heated; conversely, the disordered structure of the amorphous PEO film reverts to the ordered structure as the polymer is cooled. Broadening of the Raman bands was observed in PEO films above the melting temperature (67 °C), while sharpening of bands was observed below the crystallization temperature (45 °C). The temperatures at which these spectral changes occurred were in good agreement with differential scanning calorimetry (DSC) measurements, especially during the melting transition. The results illustrate that in situ Raman microscopy coupled with SMCR analysis is a powerful approach for unraveling complex structural changes in thin polymer films during melting and crystallization processes. Furthermore, we show that confocal Raman microscopy opens opportunities to apply the methodology to interrogate the structural features of PEO or other surface-supported polymer films as thin as 2 µm, a thickness regime beyond the reach of conventional thermal analysis techniques.

Koh, Miharu [Department of Chemistry, University o↗
NASA NTRS1987

Measurement of the effect of manufacturing deviations on natural laminar flow for a single engine general aviation airplane

Renewed interest in natural laminar flow (NLF) had rekindled designer concern that manufacuring deviations may destroy the effectiveness of NLF for an operational aircraft. Experiments are summarized that attemtped to measure total drag changes associated with three different wing surface conditions on an aircraft typical of current general aviation high performance singles. The speed power technique was first used in an attempt to quantify the changes in total drag. Predicted and measured boundary layer transition locations for three different wing surface conditions were also compared, using two different forms of flow visualization. The three flight test phases included: assessment of an unpainted airframe, flight tests of the same aircraft after painstakingly filling and sanding the wings to design contours, and similar measurement after this aricraft was painted. In each flight phase, transition locations were monitored using with sublimating chemicals or pigmented oil. Two-dimensional drag coefficients were estimated using the Eppler-Somers code and measured with a wake rake in a method very similar to Jones' pitot traverse method. The net change in two-dimensional drag coefficient was approximately 20 counts between the unpainted aircraft and the hand-smoothed aircraft for typical cruise flight conditions.

Source record↗
NASA NTRS1995

Structural Stability and gamma-Transitions

In this work, we review some new discoveries and physical interpretations that concern the secular and dynamical instabilities and the associated structural changes in rotating, self-gravitating, incompressible fluids. For such fluids, we have been able to examine in depth and to understand physically a variety of classic results. Here we discuss the structural stability and the lambda-transitions of astrophysical fluids. We conclude with a summary of all the different types of lambda-transitions found in the course of our investigation and with a discussion of the implications of our results for superfluids, catastrophes, thermodynamical phase transitions, and the breaking of symmetry and topology.

Christodoulou, Dimitris M.↗
NASA NTRS2014

Locating Noctiluca Miliaris in the Arabian Sea: An Optical Proxy Approach

Coincident with shifting monsoon weather patterns over India, the phytoplankter Noctiluca miliaris has recently been observed to be dominating phytoplankton blooms in the northeastern Arabian Sea during the winter monsoons. Identifying the exact environmental and/or ecological conditions that favor this species has been hampered by the lack of concurrent environmental and biological observations on time and space scales relevant to ecologic and physiologic processes. We present a bio-optical proxy for N. miliaris measured on highly resolved depth scales coincident with hydrographic observations with the goal to identify conducive hydrographic conditions for the bloom. The proxy is derived from multichannel excitation chlorophyll a fluorescence and is validated with microscopy, pigment composition, and spectral absorption. Phytoplankton populations dominated by either diatoms or other dinoflagellates were additionally discerned. N. miliaris populations in full bloom were identified offshore in low-nutrient and low-N : P ratio surface waters within a narrow temperature and salinity range. These populations transitioned to high-biomass diatom-dominated coastal upwelling populations. A week later, the N. miliaris blooms were observed in declining phase, transitioning to very-low-biomass populations of non-N. miliaris dinoflagellates. There were no clear hydrographic conditions uniquely associated with the N. miliaris populations, although N. miliaris was not found in the upwelling or extremely oligotrophic waters. Taxonomic transitions were not discernible in the spatial structure of the bloom as identified by the ocean color Chl imagery, indicating that in situ observations may be necessary to resolve community structure, particularly for populations below the surface.

Arabian Sea↗
DOE OSTI2024

Exploring the impact of Cr-doping on the crystallographic and magnetic structure of Mn 5 Si 3 antiferromagnetic alloy

Here, the role of Cr-doping on the structural and magnetic ground states of Mn 5 Si 3 alloy has been investigated through temperature-dependent neutron powder diffraction (NPD) and X-ray absorption fine structure (XAFS) techniques. All the Cr-doped alloys of nominal composition Mn 5-x Cr x Si 3 (for x = 0.05, 0.1, and 0.2) undergo two first-order magneto-structural phase transitions from hexagonal (space group: P6 3 /mcm) paramagnetic → orthorhombic (space group: Ccmm) collinear antiferromagnetic → orthorhombic (space group: Cc2m) non-collinear antiferromagnetic phase on cooling from room temperature. NPD studies at different constant temperatures indicate that both anti ferromagnetic phases are commensurate in nature and can be represented by q = (0,1,0) magnetic propagation vector for all the Cr-doped alloys. Such doping at the Mn-site results in a significant modification of the non-collinear antiferromagnetic structure (both moment size and orientation) and hence affects the unusual magnetic properties, like inverted hysteresis loop, thermomagnetic irreversibility, etc. The XAFS measurements were performed to interpret the local environment of doped Cr atoms in detail, which is critical for a microscopic understanding of the unusual properties of this class of Cr-doped Mn 5 Si 3 alloys. The analysis confirms the elemental state of Cr in the doped alloys and indicates a high degree of preservation of local crystallographic structure with varying Cr concentration and sample temperature. Doping induces intriguing changes in XAFS patterns, elucidated through different types of scattering mechanisms associated with the central absorbing Cr atom.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

On the penetration of the 660 km phase change by mantle downflows

We present a simple analytic model of the interaction of cold convective downwelling currents with an endothermic phase change. The model describes the ponding and lateral spreading of downflows along the phase transition interface. A simple comparison of the vertical forces on the ponding material provides a necessary condition for a downflow to penetrate the phase boundary. This condition is fundamentally dependent on the geometry of the downflow. For planar downwellings, the model predicts a minimum ponding time before the structure can penetrate the phase boundary. For columnar (axisymmetric) downflows, there is no minimum time of spreading required before penetration can proceed. The model thus provides an explanation for the observation that in numerical models of three-dimensional convection with an endothermic phase change, cylindrical downflows penetrate the phase interface while planar ones do not. Since descending slabs in the Earth's mantle display a wide spectrum of geometries between planar and cylindrical (given various trench curvatures, as well as intersections of two or more subduction zones), this phenomenon may explain, in part, why some slabs appear to extend into the lower mantle while others are deflected at the 660 km discontinuity.

Bercovici, David↗
DOE OSTI2025

Magnetic order and physical properties of the kagome metal UNb 6 ⁢Sn 6

The 𝑅⁢𝑀 6 ⁢𝑋 6 family of materials (𝑅 = rare-earth, 𝑀 = transition metal, 𝑋 = Ga, Si, Ge, Sn) produces an array of emergent phenomena, such as charge density waves, intrinsic Hall effects, and complex magnetic order, due to its kagome net of transition metal atoms, its local-moment magnetic anisotropies, and its extensive chemical tunability. Here, in this study, we report UNb 6⁢ Sn 6 , a new “166” material containing both an actinide and a 4⁢𝑑 transition metal, along with its nonmagnetic analog ThNb6⁢Sn6, to investigate the properties of a 5⁢𝑓−4⁢𝑑 electron 166 system. UNb 6 ⁢Sn 6 crystallizes in the hexagonal 𝑃⁢6/𝑚⁢𝑚⁢𝑚 space group with a small degree of disorder due to shifts in the size of the CoSn-like cages along the 𝑐 axis. Upon cooling at zero magnetic field, the material undergoes two magnetic phase transitions at 𝑇 2 = 46K and 𝑇 N = 43K. The low-temperature, zero-field phase is an antiferromagnet with ordered uranium moments and a k = (0,0,1/2) propagation vector determined by neutron diffraction. Remarkably, with a magnetic field applied along the 𝑐 axis, five additional magnetic transitions occur, evidenced by magnetization and resistivity data, before the moment saturates at 2.62 𝜇 B /U at 2 K and ≥ 13.6T. In two magnetic phase regions, the Hall resistivity of UNb 6⁢ Sn 6 significantly deviates from the magnetization, suggesting that the phases have a large Berry curvature or a change in the Fermi surface. The unknown magnetic ordering of the field-dependent phases of UNb 6⁢ Sn 6 demonstrates the complexity of the 5⁢𝑓−4⁢𝑑 166 system and encourages further study of its properties.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Regional-scale flows in mountainous terrain. Part 1: A numerical and observational comparison

This study uses observed data and a numerical simulation to examine the generation of thermally driven flows across the Colorado mountain barrier on meso-beta to meso-alpha scales. The observations were collected from remote surface observing systems at exposed mountaintop locations throughout the state of Colorado, over the summers of 1984-88, as part of the Rocky Mountain Peaks Experiment (ROMPEX). The data show the development of a recurrent circulation system across the Colorado mountain barrier, operating on a diurnal timescale. From the observations, the basic structure of the flow system appears as a daytime inflow toward the highest terrain, and a nocturnal outflow away from it. However, when examined in detail, the flow system exhibits more unusual behavior, especially west of the barrier crest. Here, winds in the early evening are occasionally observed to onset abruptly from an easterly direction, generally counter to the upper-level winds. Observations from ROMPEX for 26 August 1985 are used to provide comparison data for a numerical simulation with the Regional Atmospheric Modeling System (RAMS). This three-dimensional case study experiment is initialized with data from the National Meteorological Center and incorporates two-way interactive grid nesting. From the observed data and case study simulation, four distinct phases of the regional-scale circulation system have been identified. In the development phase, a deep mountain-plains solenoid is generated through terrain heating along the Front Range. This circulation system transforms in the late afternoon transition phase into a westward-propagating density current (WPDC). The third phase, called the 'density-current propagation phase,' occurs as the WPDC moves westward across the mountains, leaving in its wake strong southeasterly flow at the mountaintop level. This current appears to be the cause of the peculiar easterly component winds found in the ROMPEX mountaintop observations along the western slope. In the final late-night adjustment phase, the WPDC dissipates near the western edge of the Colorado mountains and steady southerly flow evolves over the high mountain terrain. This southerly flow is the steady response to the differential heating that develops between the low-lying plains and the intermountain region.

Bossert, James E.↗
DOE OSTI2025

Atomic dynamics in 𝑀⁢Cr⁢𝑋 2 (𝑀=Ag, Cu; 𝑋 = S, Se) across magnetic and superionic transitions

Here, a systematic study of atomic dynamics and thermal properties of the family of layered chalcogenide compounds 𝑀⁢Cr⁢𝑋 2 (𝑀= Ag, Cu; 𝑋 = S, Se) was performed, including neutron and x-ray scattering, thermal characterization, and first-principles simulations. In all compounds, we observe a breakdown of specific phonon modes across the superionic phase transition, for phonons whose eigenvectors exhibit large contributions of mobile ions. In particular, the nondispersive portions of transverse acoustic (TA) branches at short-wavelengths and the low-energy optical phonons with large contributions from Ag + or Cu + become severely damped in the superionic phase. However, well-defined quasiparticles persist in the superionic state for long-wavelength TA phonons. In the case of AgCrS 2 , the coupling of lattice dynamics with its antiferromagnetic transition was also investigated. The magnetic ordering couples with the monoclinic–rhombohedral structural transition, and the Cr 3+ spin arrangement strongly affects the phonon dispersions. We qualitatively reproduce the magnetic and nuclear components of the INS measurement for antiferromagnetic AgCrS 2 by combining models of spin-waves and spin-polarized first-principles phonon simulations. Quasielastic magnetic fluctuations persist in the paramagnetic phase up to high temperature, but are clearly distinguished from the nuclear component through their momentum dependence. Finally, we report measurements of the thermal properties of the selenide compounds and find good agreement with our DFT simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Non-equilibrium critical scaling and universality in a quantum simulator

Universality and scaling laws are hallmarks of equilibrium phase transitions and critical phenomena. However, extending these concepts to non-equilibrium systems is an outstanding challenge. Despite recent progress in the study of dynamical phases, the universality classes and scaling laws for non-equilibrium phenomena are far less understood than those in equilibrium. In this work, using a trapped-ion quantum simulator with single-spin resolution, we investigate the non-equilibrium nature of critical fluctuations following a quantum quench to the critical point. We probe the scaling of spin fluctuations after a series of quenches to the critical Hamiltonian of a long-range Ising model. With systems of up to 50 spins, we show that the amplitude and timescale of the post-quench fluctuations scale with system size with distinct universal critical exponents, depending on the quench protocol. While a generic quench can lead to thermal critical behavior, we find that a second quench from one critical state to another (i.e. a double quench) results in a new universal non-equilibrium behavior, identified by a set of critical exponents distinct from their equilibrium counterparts. Our results demonstrate the ability of quantum simulators to explore universal scaling beyond equilibrium.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Spinodal enhancement of fluctuations in nucleus-nucleus collisions

Subensemble Acceptance Method (SAM) [1, 2] is an essential link between measured event-by-event fluctuations and their grand canonical theoretical predictions such as lattice QCD. The method allows quantifying the global conservation law effects in fluctuations. In its basic formulation, SAM requires a sufficiently large system such as created in central nucleus-nucleus collisions and sufficient space-momentum correlations. Directly in the spinodal region of the First Order Phase Transition (FOPT) different approximations should be used that account for finite size effects. Thus, we present the generalization of SAM applicable in both the pure phases, metastable and unstable regions of the phase diagram [3]. Obtained analytic formulas indicate the enhancement of fluctuations due to crossing the spinodal region of FOPT and are tested using molecular dynamics simulations. A rather good agreement is observed. Using transport model calculations with interaction potential we show that the spinodal enhancement of fluctuations survives till the later stages of collision via the memory effect [4]. However, at low collision energies the space-momentum correlation is not strong enough for this signal to be transferred to second and third order cumulants measured in momentum subspace. This result agrees well with recent HADES data on proton number fluctuations at $\sqrt{S_{NN}}$ = 2.4 GeV which are found to be consistent with the binomial momentum space acceptance [5].

Poberezhnyuk, Roman↗
DOE OSTI2025

Competing Electronic Ground States in the Heavy-Fermion Superconductor CeRh 2 As 2

CeRh 2 ⁢As 2 is rare among superconductors, in that the magnetic field tunes it between two distinct superconducting phases. Combined with a lack of local inversion symmetry and an upper critical field exceeding the Pauli paramagnetic limit, this excitingly suggests triplet multicomponent superconductivity. Preceding the superconducting onset, 𝑓-electron correlations cause long-range order, attributed both to local antiferromagnetism and itinerant (quadrupole) density waves. A magnetic field provides a significant perturbation of the 𝑓 electrons and may reveal the nature of the many-body correlations. Therefore, we report comprehensive magnetization and magnetotransport studies on microstructured devices in fields of up to 73 T. Applied along the 𝑐 axis, the field causes a low-temperature change of majority (hole) carrier density at 𝜇 0⁢ 𝐻 ≈ 2⁢4 T. By contrast, in-plane fields produce a cascade of phase transitions; the field-induced in-plane conductivity anisotropy and lack of accompanying magnetic features, plus the closed-dome nature of the overall phase boundary is consistent with a hierarchy of field-induced density-wave states.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Collinear antiferromagnetic order in a quasi-two-dimensional triangular lattice compound DyNiAl 4 Ge 2

The two-dimensional magnetic triangular lattice, with rare-earth local moments coupled through long-range interactions and hosting strong spin-orbit coupling, serves as an ideal platform for exploring novel quantum phenomena. Here, we report the physical properties of DyNiAl 4 Ge 2 single crystals through comprehensive structural, magnetic, heat capacity, electrical transport, and neutron powder diffraction measurements. DyNiAl 4 Ge 2 crystallizes in a trigonal lattice with the space group $R\bar{3}m$, where Dy atoms form two-dimensional triangular lattice layers within the 𝑎𝑏 plane and stack along the 𝑐 axis. Magnetic susceptibility measurement reveals a magnetic phase transition at 𝑇 𝑁 = 9.0 K, further confirmed by the 𝜆-shaped peak in the heat capacity curve. The obtained temperature-magnetic field phase diagram is relatively simple compared to other isostructural compounds, suggesting the absence of magnetic frustration. This is further evidenced by neutron powder diffraction, which shows a collinear antiferromagnetic ground state with a propagation vector 𝒌 = (0, 0, 1.5), implying the absence of magnetic frustration in DyNiAl 4 Ge 2 . In this magnetic structure, Dy moments are aligned ferromagnetically within each triangular layer and arranged antiferromagnetically between adjacent layers along the 𝑐 axis. In conclusion, our results establish DyNiAl 4 Ge 2 as a model system for understanding the interplay between RKKY interaction and geometrical frustration in this family of compounds.

Wu, HengHeng [Chinese Academy of Sciences (CAS), S↗
NASA NTRS1975

Our national energy future - The role of remote sensing

An overview of problems and opportunities in remote sensing of resources. The need for independence from foreign and precarious energy sources, availability of fossil fuel materials for other purposes (petrochemicals, fertilizer), environmental conservation, and new energy sources are singled out as the main topics. Phases of response include: (1) crisis, with reduced use of petroleum and tapping of on-shore and off-shore resources combined; (2) a transition phase involving a shift from petroleum to coal and oil shale; and (3) exploitation of renewable (inexhaustible and clean) energy. Opportunities for remote sensing in fuel production and energy conservation are discussed along with problems in identifying the spectral signatures of productive and unproductive regions. Mapping of water resources, waste heat, byproducts, and wastes is considered in addition to opportunities for international collaboration.

Schmitt, H. H.↗
NASA NTRS1994

Subduction and volatile recycling in Earth's mantle

The subduction of water and other volatiles into the mantle from oceanic sediments and altered oceanic crust is the major source of volatile recycling in the mantle. Until now, the geotherms that have been used to estimate the amount of volatiles that are recycled at subduction zones have been produced using the hypothesis that the slab is rigid and undergoes no internal deformation. On the other hand, most fluid dynamical mantle flow calculations assume that the slab has no greater strength than the surrounding mantle. Both of these views are inconsistent with laboratory work on the deformation of mantle minerals at high pressures. We consider the effects of the strength of the slab using two-dimensional calculations of a slab-like thermal downwelling with an endothermic phase change. Because the rheology and composition of subducting slabs are uncertain, we consider a range of Clapeyron slopes which bound current laboratory estimates of the spinel to perovskite plus magnesiowustite phase transition and simple temperature-dependent rheologies based on an Arrhenius law diffusion mechanism. In uniform viscosity convection models, subducted material piles up above the phase change until the pile becomes gravitationally unstable and sinks into the lower mantle (the avalanche). Strong slabs moderate the 'catastrophic' effects of the instabilities seen in many constant-viscosity convection calculations; however, even in the strongest slabs we consider, there is some retardation of the slab descent due to the presence of the phase change.

King, S. D.↗
NASA NTRS1989

Nucleation in the presence of long-range interactions

Unlike droplet nucleation near a liquid-gas critical point, the decay of metastable phases in crystalline materials is strongly affected by the presence of long-range forces. Field quench experiments performed on the ferroelectric barium titanate indicate that nucleation in this material is markedly different from that observed in liquids. In this paper, a theory for nucleation at a first-order phase transition in which the mediating forces are long range is presented. It is found that the long-range force induces cooperative nucleation and growth processes, and that this feedback mechanism produces a well-defined delay time with a sharp onset in the transformation to the stable phase. Closed-form expressions for the characteristic onset time and width of the transition are developed, in good agreement with numerical and experimental results.

Chandra, P.↗
DOE OSTI2024

Grand canonically optimized grain boundary phases in hexagonal close-packed titanium

Grain boundaries (GBs) profoundly influence the properties and performance of materials, emphasizing the importance of understanding the GB structure and phase behavior. As recent computational studies have demonstrated the existence of multiple GB phases associated with varying the atomic density at the interface, we introduce a validated, open-source GRand canonical Interface Predictor (GRIP) tool that automates high-throughput, grand canonical optimization of GB structures. While previous studies of GB phases have almost exclusively focused on cubic systems, we demonstrate the utility of GRIP in an application to hexagonal close-packed titanium. We perform a systematic high-throughput exploration of tilt GBs in titanium and discover previously unreported structures and phase transitions. In low-angle boundaries, we demonstrate a coupling between point defect absorption and the change in the GB dislocation network topology due to GB phase transformations, which has important implications for the accommodation of radiation-induced defects.

36 MATERIALS SCIENCE↗