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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Metal to Wigner-Mott insulator transition in two-leg ladders

Here we study theoretically the quantum phase transition from a metal to a Wigner-Mott insulator at fractional commensurate filling on a two-leg ladder. We show that a continuous transition out of a symmetry-preserving Luttinger liquid metal is possible where the onset of insulating behavior is accompanied by the breaking of the lattice translation symmetry. At fillings $v$=1/$m$ per spin per unit cell, we find that the spin degrees of freedom also acquire a gap at the Wigner-Mott transition for odd integer $m$. In contrast for even integer $m$, the spin sector remains gapless and the resulting insulator is a ladder analog of the two-dimensional spinon surface state. In both cases, a charge neutral spinless mode remains gapless across the Wigner-Mott transition. We discuss physical properties of these transitions and comment on insights obtained for thinking about continuous Wigner-Mott transitions in two-dimensional systems which are being studied in moire materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Diffuse scattering from dynamically compressed single-crystal zirconium following the pressure-induced α → ω phase transition

The prototypical α → ω phase transition in zirconium is an ideal test bed for our understanding of polymorphism under extreme loading conditions. After half a century of study, a consensus had emerged that the transition is realized via one of two distinct displacive mechanisms, depending on the nature of the compression path. However, recent dynamic-compression experiments equipped with diffraction diagnostics performed in the past few years have revealed new transition mechanisms, demonstrating that our understanding of the underlying atomistic dynamics and transition kinetics is in fact far from complete. We present classical molecular dynamics simulations of the α → ω phase transition in single-crystal zirconium shock compressed along the [0001] axis using a machine-learning-class potential. The transition is predicted to proceed primarily via a modified version of the two-stage Usikov-Zilberstein mechanism, whereby the high-pressure ω phase heterogeneously nucleates at boundaries between grains of an intermediate β phase. We further observe the fomentation of atomistic disorder at the junctions between β grains, leading to the formation of highly defective interstitial material between the ω grains. We directly compare synthetic x-ray diffraction patterns generated from our simulations with those obtained using femtosecond diffraction in recent dynamic-compression experiments, and show that the simulations produce the same unique, anisotropic diffuse scattering signal unlike any previously seen from an elemental metal. Our simulations suggest that the diffuse signal arises from a combination of thermal diffuse scattering, nanoparticlelike scattering from residual kinetically stabilized α and β grains, and scattering from interstitial defective structures. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗
DOE OSTI2024

Predicting phase transitions in PbTi⁢O 3 using zentropy through quasiharmonic phonon calculations

According to x-ray diffraction (XRD) measurements, PbTi⁢O 3 undergoes a phase transition from a tetragonal ferroelectric (FE) phase to a cubic paraelectric phase at 763 K. However, x-ray absorption fine-structure (XAFS) measurements indicate that PbTi⁢O 3 is locally tetragonal even after the phase transition. The difference in these results is because XAFS measurements can probe local features of a structure, while XRD averages over such local features. For both measurements to be consistent, PbTi⁢O 3 is macroscopically cubic but locally tetragonal after the phase transition. Despite this, most models, such as the Landau-Ginsburg-Devonshire theory and effective Hamiltonians, are still unable to explain this phenomenon. Moreover, these methods involve model parameters fitted to experimental or theoretical data and do not consider other tetragonal configurations, such as domain walls, to predict the phase transition. In our previous study, we used our zentropy approach to predict the phase transition by considering the tetragonal FE ground-state configuration and the tetragonal 90° and 180° domain wall configurations with their total energies at 0 K. Here, in this paper, the Helmholtz energies of the three configurations are obtained from density functional theory calculations through energy-volume curves and phonon calculations. The predicted phase transition temperature using the meta-GGA 𝑟 2⁢ SCAN and revised multiplicities of configurations is 716 K, showing good agreement with the experimental value of 763 K.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Detecting depinning and nonequilibrium transitions with unsupervised machine learning

Using numerical simulations of a model disk system, we demonstrate that a machine learning generated order-parameter-like measure can detect depinning transitions and different dynamic flow phases in systems driven far from equilibrium. Furthermore, we specifically consider monodisperse passive disks with short range interactions undergoing a depinning phase transition when driven over quenched disorder. The machine learning derived order-parameter-like measure identifies the depinning transition as well as different dynamical regimes, such as the transition from a flowing liquid to a phase separated liquid-solid state that is not readily distinguished with traditional measures such as velocity-force curves or Voronoi tessellation. The order-parameter-like measure also shows markedly distinct behavior in the limit of high density where jamming effects occur. Our results should be general to the broad class of particle-based systems that exhibit depinning transitions and nonequilibrium phase transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Paradigm for approaching the forbidden spontaneous phase transition in the one-dimensional Ising model at a fixed finite temperature

The Ising model describes collective behaviors such as phase transitions and critical phenomena in various physical, biological, economical, and social systems. It is well known that spontaneous phase transition at finite temperature does not exist in the Ising model with short-range interactions in one dimension. Yet, little is known about whether this forbidden phase transition can be approached arbitrarily closely—at fixed finite temperature. Here I use symmetry analysis of the transfer matrix to reveal the existence of spontaneous ultranarrow phase crossover (UNPC) at finite temperature in one class of one-dimensional Ising models on decorated two-leg ladders, in which the crossover temperature T 0 is determined solely by on-rung interactions and decorations, while the crossover width 2 δ T is independently, exponentially reduced ( δ T = 0 means a genuine phase transition) by on-leg interactions and decorations. These findings establish a simple ideal paradigm for realizing an infinite number of one-dimensional Ising systems with spontaneous UNPC at desirable T 0 , which would be characterized in routine laboratory measurements as a genuine first-order phase transition with large latent heat thanks to the ultranarrow δ T (say less than one nanokelvin), paving a way to push the limit in our understanding of phase transitions and the dynamical actions of frustration arbitrarily close to the forbidden regime. Published by the American Physical Society 2024

1-dimensional systems↗
DOE OSTI2026

Bike and Scoot to Transit

In this project, we developed a micromobility first-mile service for customers to access public transit. We launched this service as a pilot in the Seattle area that incentivized transit customers to bike or scoot to transit. The objective was to learn how to integrate different micromobility services and provide a unified reward program. Our pilot was called “Bike and Scoot to Transit” and ran from November 2022 to September 2023. More than a dozen locations were selected near transit hubs and light rail/train stations as preferred parking locations. Trips ending at those locations were partially funded. The pilot supported 19,226 qualified trips and distributed $73,000 in total benefits for the participants of the pilot. This dataset was collected from our pilot, which includes the following: - Monthly data: Monthly trip and funding summaries. - Data summary: Data broken down based on the micromobility service provider and equipment. - Trip data: List of all trips recorded during the pilot. - Pricing models: Fees charged by micromobility service providers. ![bike to transit](bike-transit.png)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Walking with the Atoms in a Chemical Bond: A Perspective Using Quantum Phase Transition

Phase transitions happen at critical values of the controlling parameters, such as the critical temperature in classical phase transitions, and system critical parameters in the quantum case. However, true criticality happens only at the thermodynamic limit, when the number of particles goes to infinity with constant density. To perform the calculations for the critical parameters, a finite-size scaling approach was developed to extrapolate information from a finite system to the thermodynamic limit. With the advancement in the experimental and theoretical work in the field of ultra-cold systems, particularly trapping and controlling single atomic and molecular systems, one can ask: do finite systems exhibit quantum phase transition? To address this question, finite-size scaling for finite systems was developed to calculate the quantum critical parameters. The recent observation of a quantum phase transition in a single trapped 171 Yb + ion indicates the possibility of quantum phase transitions in finite systems. This perspective focuses on examining chemical processes at ultra-cold temperatures, as quantum phase transitions—particularly the formation and dissociation of chemical bonds—are the basic processes for understanding the whole of chemistry.

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

A Time Series Sustainability Assessment of a Partial Energy Portfolio Transition

Energy portfolios are overwhelmingly dependent on fossil fuel resources that perpetuate the consequences associated with climate change. Therefore, it is imperative to transition to more renewable alternatives to limit further harm to the environment. This study presents a univariate time series prediction model that evaluates sustainability outcomes of partial energy transitions. Future electricity generation at the state-level is predicted using exponential smoothing and autoregressive integrated moving average (ARIMA). The best prediction results are then used as an input for a sustainability assessment of a proposed transition by calculating carbon, water, land, and cost footprints. Missouri, USA was selected as a model testbed due to its dependence on coal. Of the time series methods, ARIMA exhibited the best performance and was used to predict annual electricity generation over a 10-year period. The proposed transition consisted of a one-percent annual decrease of coal’s portfolio share to be replaced with an equal share of solar and wind supply. The sustainability outcomes of the transition demonstrate decreases in carbon and water footprints but increases in land and cost footprints. Decision makers can use the results presented here to better inform strategic provisioning of critical resources in the context of proposed energy transitions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS2016

Transiting Exoplanet Studies and Community Targets for JWST's Early Release Science Program

The James Webb Space Telescope (JWST) will likely revolutionize transiting exoplanet atmospheric science, due to a combination of its capability for continuous, long duration observations and its larger collecting area, spectral coverage, and spectral resolution compared to existing space-based facilities. However, it is unclear precisely how well JWST will perform and which of its myriad instruments and observing modes will be best suited for transiting exoplanet studies. In this article, we describe a prefatory JWST Early Release Science (ERS) Cycle 1 program that focuses on testing specific observing modes to quickly give the community the data and experience it needs to plan more efficient and successful transiting exoplanet characterization programs in later cycles. We propose a multi-pronged approach wherein one aspect of the program focuses on observing transits of a single target with all of the recommended observing modes to identify and understand potential systematics, compare transmission spectra at overlapping and neighboring wavelength regions, confirm throughputs, and determine overall performances. In our search for transiting exoplanets that are well suited to achieving these goals, we identify 12 objects (dubbed community targets'') that meet our defined criteria. Currently, the most favorable target is WASP-62b because of its large predicted signal size, relatively bright host star, and location in JWST's continuous viewing zone. Since most of the community targets do not have well-characterized atmospheres, we recommend initiating preparatory observing programs to determine the presence of obscuring clouds/hazes within their atmospheres. Measurable spectroscopic features are needed to establish the optimal resolution and wavelength regions for exoplanet characterization. Other initiatives from our proposed ERS program include testing the instrument brightness limits and performing phase-curve observations. The latter are a unique challenge compared to transit observations because of their significantly longer durations. Using only a single mode, we propose to observe a full-orbit phase curve of one of the previously characterized, short-orbital-period planets to evaluate the facility-level aspects of long, uninterrupted time-series observations.

JWST Early Release Science (ERS)↗
NASA NTRSDate not supplied

WMLES of Boundary-Layer Transition

An analysis of the potential for the accurate prediction of laminar-turbulent transition by Wall-Modeled Large-Eddy Simulation (WMLES) indicates that satisfactory prediction of transition by WMLES is possible, provided a) a sufficiently accurate wall model for the initial stage of transition is employed, b) a satisfactory transition is made between this initial-stage wall model and the wall model for the downstream fully-developed turbulence, and c) limitations on temporal and spatial resolution, and on the thickness of the wall-modeled region, imposed by the need to accurately resolve the disturbance waves and the transition region are observed. This is illustrated with WMLES computations of subharmonic transition in a flat-plate boundary layer that yield reasonable agreement with DNS results. However, the wall-modeled region thickness, and thus the cost savings, is less than is typical for WMLES of fully developed turbulence.

wall-modeled large-eddy simulation↗
NASA NTRSDate not supplied

WMLES of Boundary-Layer Transition

An analysis of the potential for the accurate prediction of laminar-turbulent transition by Wall-Modeled Large-Eddy Simulation (WMLES) indicates that satisfactory prediction of transition by WMLES is possible, provided a) a sufficiently accurate wall model for the initial stage of transition is employed, b) a satisfactory transition is made between this initial-stage wall model and the wall model for the downstream fully-developed turbulence, and c) limitations on temporal and spatial resolution, and on the thickness of the wall-modeled region, imposed by the need to accurately resolve the disturbance waves and the transition region are observed. This is illustrated with WMLES computations of subharmonic transition in a flat-plate boundary layer that yield reasonable agreement with DNS results. However, the wall-modeled region thickness, and thus the cost savings, is less than is typical for WMLES of fully developed turbulence.

Wall-modeled large-eddy simulation↗
NASA NTRS2023

A Simple Boundary-Layer Transition Detection Method Using Mean Static Pressure Measurements

A simple method for detecting boundary-layer transition using only mean static pressure port data is presented. The method can be applied to most existing models with pressure taps, and only requires that a fine angle-of-attack sweep be performed. A small but abrupt change in the static pressure is visible when the transition front passes over the pressure tap. Results from a recent Juncture Flow test entry are used to illustrate the technique. Infrared thermography measurements of the transition front compare very well to the transition locations obtained from the static pressure ports. Some differences in behavior occur depending on the dominant transition mechanism. While the technique is somewhat qualitative, it can be an excellent tool for estimating the transition location when other tools are not readily available. Given the simplicity of the technique, and the fact that most wind-tunnel models are already designed with numerous static pressure taps, this method can be applied with very little overhead.

boundary-layer transition↗
NASA NTRSDate not supplied

Recent Progress on Rans-Based Transition Model Verification

The current efforts to assess and improve the Reynolds-averaged Navier-Stokes (RANS)-coupled transition models in the NASA FUN3D and OVERFLOW codes are summarized in this study. The first AIAA Transition Modeling Workshop and the NATO AVT-313 Transition Workshop both emphasized the need for code verification for transport equations based transition models as a top priority. We discuss the methods used for the model verification, the resulting grid families, the flow solutions, and other supporting information collected with at least two established NASA flow solvers, namely, FUN3D and OVERFLOW. These results, which will be uploaded onto the NASA Turbulence Modeling Resource, should assist other members of the computational fluid dynamics (CFD) community in verifying their own implementations of various transition models, such as the Langtry-Menter (LM2009) model, the one-equation γ model, and Coder’s amplification factor transport (AFT) model. Grid convergence is assessed using both global and local flow metrics of interest such as lift and drag as well as local skin-friction coefficients. We also explore the anisotropic unstructured metric-based adaptive mesh refinement library known as refine with the NASA FUN3D solver to determine if this capability can achieve the same accuracy as handcrafted structured grids with a significantly smaller node count and to learn the characteristics of the resulting grid distribution, especially in the vicinity of the transition zone.

Transition↗
NASA NTRSDate not supplied

Recent Progress on RANS-Based Transition Model Verification

The current efforts to assess and improve the Reynolds-averaged Navier-Stokes (RANS)-coupled transition models in the NASA FUN3D and OVERFLOW codes are summarized in this study. The first AIAA Transition Modeling Workshop and the NATO AVT-313 Transition Workshop both emphasized the need for code verification for transport equations based transition models as a top priority. We discuss the methods used for the model verification, the resulting grid families, the flow solutions, and other supporting information collected with at least two established NASA flow solvers, namely, FUN3D and OVERFLOW. These results, which will be uploaded onto the NASA Turbulence Modeling Resource, should assist other members of the computational fluid dynamics (CFD) community in verifying their own implementations of various transition models, such as the Langtry-Menter (LM2009) model, the one-equation γ model, and Coder’s amplification factor transport (AFT) model. Grid convergence is assessed using both global and local flow metrics of interest such as lift and drag as well as local skin-friction coefficients. We also explore the anisotropic unstructured metric-based adaptive mesh refinement library known as refine with the NASA FUN3D solver to determine if this capability can achieve the same accuracy as handcrafted structured grids with a significantly smaller node count and to learn the characteristics of the resulting grid distribution, especially in the vicinity of the transition zone.

RANS↗
NASA NTRS2024

TOI 762Ab and TIC 46432937b: Two Giant Planets Transiting M-dwarf Stars

We present the discovery of TOI 762 A b and TIC 46432937 b, two giant planets transiting M-dwarf stars. Transits of both systems were first detected from observations by the NASA TESS mission, and the transiting objects are confirmed as planets through high-precision radial velocity observations carried out with Very Large Telescope/ESPRESSO. TOI 762 A b is a warm sub-Saturn with a mass of 0.251±0.042MJ, a radius of 0.744±0.017RJ, and an orbital period of 3.4717 days. It transits a mid-M-dwarf star with a mass of 0.442±0.025M☉and a radius of0.4250±0.0091R☉. The star TOI 762 A has a resolved binary star companion, TOI 762 B, that is separated fromTOI 762 A by 32(∼319 au)and has an estimated mass of 0.227±0.010M☉. The planet TIC 46432937 b is a warm super-Jupiter with a mass of 3.20±0.11MJ and radius of 1.188±0.030RJ. The planet’s orbital period isP=1.4404 days, and it undergoes grazing transits of its early M-dwarf host star, which has a mass of0.563±0.029M☉and a radius of 0.5299±0.0091R☉. TIC 46432937 b is one of the highest-mass planets found to date transiting an M-dwarf star. TIC 46432937 b is also a promising target for atmospheric observations, having the highest transmission spectroscopy metric or emission spectroscopy metric value of any known warm super-Jupiter(mass greater than 3.0MJ, equilibrium temperature below 1000 K).

Exoplanet systems↗
DOE OSTI2022

Possible quadrupole-order-driven commensurate-incommensurate phase transition in B20 CoGe

For this study, the B20-type cobalt germanide CoGe was investigated by measuring the specific heat, resistivity, and 59 Co nuclear magnetic resonance (NMR). We observed a phase transition at T Q = 13.7 K, evidenced by a very narrow peak of the specific heat and sharp changes of the nuclear spin-spin (T 2 –1 ) and spin-lattice ( T 1 – 1 ) relaxation rates. The fact that the entropy release is extremely small and the Knight shift is almost independent of temperature down to low temperatures as anticipated in a paramagnetic metal indicates that the T Q transition is of nonmagnetic origin. In addition, we detected a crossover scale T 0 ~ 30 K below which the resistivity and the NMR linewidth increase, and T 1 –1 is progressively distributed in space, that is, a static and dynamical spatial inhomogeneity develops. While the order parameter for the T Q transition remains an open question, a group-theoretical analysis suggests that the finite electric quadrupole density arising from the low local site symmetry at cobalt sites could drive the crystal symmetry lowering from the P2 1 3 symmetry that is commensurate to the R3 symmetry with an incommensurate wave vector, which fairly well accounts for the T Q transition. The quadrupole-order-driven commensurate-incommensurate phase transition may be another remarkable phenomenon arising from the structural chirality inherent in the noncentrosymmetric B20 family.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Data and scripts associated with “Sequential Precipitation Input Tagging (SPIT) to Estimate Water Transit Times and Hydrologic Tracer Dynamics within Water-Tagging Enabled Hydrologic Models” (v3)

This data package is associated with the publication “Sequential Precipitation Input Tagging (SPIT) to Estimate Water Transit Times and Hydrologic Tracer Dynamics within Water-Tagging Enabled Hydrologic Models” submitted to Journal of Advances in Modeling Earth Systems (Butler et al. 2025). This study developed the Sequential Precipitation Input Tagging (SPIT) framework to tag input precipitation and estimate water transit times and hydrologic tracers. SPIT tags all precipitation events at regular intervals over an extended period (monthly tags over seven years) in a hydrologic model from 2016-2022. SPIT is applied at six National Ecological Observatory Network (NEON) sites across the continental United States to calculate transit time distributions (TTD) and derive from these mean transit times (MTT), fractions of young water (Fyw), and hydrologic tracer concentrations in stream water (δ18O) within a water-tagging enabled version of the Weather Research and Forecast (WT-WRF-Hydro) model with national water model (NWM) configurations. We go on to validate WT-WRF-Hydro estimates against Butler et al. (2023), who analyzed the same NEON sites using stable water isotope data to estimate water transit times. This new tracking method provides a detailed picture of water movement and helps improve predictions about water availability in the future. This data package was originally published in January 2025. It was updated May 2025 (v2; new and modified files) and October 2025 (v3; new and modified files). File and folder names were not revised to indicate changes. See the change history section in the readme for more details. This data package contains the data and scripts used to develop the SPIT framework WT-WRF-Hydro (Water Tagging Weather Research and Forecasting Hydrologic) model and is associated with the following GitHub repository: https://github.com/zbutler33/SPIT-Framework. This data package contains five parent folders: (1) “Manipulated_outputs”, (2) “Metadata”, (3) “Observed”, (4) “Outputs”, and (5) “Scripts”. Each of these parent folders contains additional subfolders and files. Please see the FLMD (“v*_Butler_2024_WT_WRF_Hydro_flmd.csv”) for a list of all the files contained in this data package and descriptions for each. See the data dictionary (“v*_Butler_2024_WT_WRF_Hydro_dd.csv”) for definitions and units of all of the tabular (files ending in “.csv” and ".tsv") column headers.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2021

Assessment and Improvement of RANS-based Transition Models based on Experimental Data of the Common Research Model with Natural Laminar Flow

Transition models based on auxiliary transport equations augmenting the Reynolds-averaged Navier-Stokes (RANS) framework often rely upon the correlations that were derived from a limited number of low-speed experiments and do not account for all of the transition mechanisms and/or their variation with the significant flow parameters. Available data from a recent experiment in the National Transonic Facility at the NASA Langley Research Center are used to assess the current transition modeling capability in NASA's OVERFLOW 2.2o code for a swept wing configuration at transonic cruise conditions. Specifically, the OVERFLOW solutions are used together with detailed stability analysis of the boundary layer flow over the new Common Research Model with Natural Laminar Flow (CRM-NLF) to evaluate the accuracy and the robustness of the transport-equation-based transition models, with the goal of proposing improvements that would help to strengthen the physical basis of these models for the important class of flows involving the combined effects of crossflow and flow compressibility. Results highlight the significant underprediction of the laminar flow extent within the inboard region of the wing, wherein the onset of transition may be attributed to a gradual amplification of Tollmien-Schlichting instabilities.

Boundary layer transition↗