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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

The role of ionic blockades in controlling the efficiency of energy recovery in forward bias bipolar membranes

Limited understanding exists about the operation of bipolar membranes (BPMs) in forward bias to convert protonic gradients into electrical work, despite their emerging role in many electrochemical devices. In these device contexts, the BPM is typically exposed to complex electrolyte mixtures, but their impact on polarization remains poorly understood. Here, for this work, we develop a mechanistic model explaining the forward bias polarization behaviour of BPMs in mixed electrolytes with different acidities/basicities. This model invokes that weak acids/bases accumulate in the BPM and impose an ionic blockade that inhibits the recombination of stronger acids/bases, resulting in a substantial neutralization overpotential. We demonstrate the utility of our model for fuel cells and redox flow batteries and introduce two materials design strategies for mitigating this inhibition. Lastly, we apply our findings to enhance the energy efficiency of carbonate management in CO 2 electrolysers. This work highlights how non-equilibrium local environments at membrane–membrane interfaces can define the efficiency of protonic-to-electrical energy conversion.

25 ENERGY STORAGE↗
DOE OSTI2021

Evidence for equilibrium exciton condensation in monolayer WTe 2

We present evidence that the two-dimensional bulk of monolayer WTe2 contains electrons and holes bound by Coulomb attraction—excitons—that spontaneously form in thermal equilibrium. On cooling from room temperature to 100 K, the conductivity develops a V-shaped dependence on electrostatic doping, while the chemical potential develops a step at the neutral point. These features are much sharper than is possible in an independent-electron picture, but they can be accounted for if electrons and holes interact strongly and are paired in equilibrium. Our calculations from first principles show that the exciton binding energy is larger than 100 meV and the radius as small as 4 nm, explaining their formation at high temperature and doping levels. Below 100 K, more strongly insulating behaviour is seen, suggesting that a charge-ordered state forms. The observed absence of charge density waves in this state is surprising within an excitonic insulator picture, but we show that it can be explained by the symmetries of the exciton wavefunction. Therefore, in addition to being a topological insulator, monolayer WTe2 exhibits strong correlations over a wide temperature range.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Viscoelastic analysis of mussel threads reveals energy dissipative mechanisms

Mussels use byssal threads to secure themselves to rocks and as shock absorbers during cyclic loading from wave motion. Byssal threads combine high strength and toughness with extensibility of nearly 200%. Researchers attribute tensile properties of byssal threads to their elaborate multi-domain collagenous protein cores. Because the elastic properties have been previously scrutinized, we instead examined byssal thread viscoelastic behaviour, which is crucial for withstanding cyclic loading. By targeting protein domains in the collagenous core via chemical treatments, stress relaxation experiments provided insights on domain contributions and were coupled with in situ small-angle X-ray scattering to investigate relaxation-specific molecular reorganizations. Results show that when silk-like domains in the core were disrupted, the stress relaxation of the threads decreased by nearly 50% and lateral molecular spacing also decreased, suggesting that these domains are essential for energy dissipation and assume a compressed molecular rearrangement when disrupted. A generalized Maxwell model was developed to describe the stress relaxation response. The model predicts that maximal damping (energy dissipation) occurs at around 0.1 Hz which closely resembles the wave frequency along the California coast and implies that these materials may be well adapted to the cyclic loading of the ambient conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

On the origin of multihole oxygen evolution in haematite photoanodes

The oxygen evolution reaction (OER) plays a crucial role in (photo)electrochemical devices that use renewable energy to produce synthetic fuels. Recent measurements on semiconducting oxides have found a power law dependence of the OER rate on surface hole density, suggesting a multihole mechanism. In this study, using transient photocurrent measurements, density functional theory simulations and microkinetic modelling, we have uncovered the origin of this behaviour in haematite. We show here that the OER rate has a third-order dependence on the surface hole density. We propose a mechanism wherein the reaction proceeds by accumulating oxidizing equivalents through a sequence of one-electron oxidations of surface hydroxy groups. The key O–O bond formation step occurs by the dissociative chemisorption of a hydroxide ion involving three oxyl sites. At variance with the case of metallic oxides, the activation energy of this step is weakly dependent on the surface hole coverage, leading to the observed power law.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Planetary and Gravity Waves in the Mesosphere and Lower Thermosphere

Rocket and ground based studies of the mesosphere and lower thermosphere show that waves play an important role in the dynamics of their region. The waves manifest themselves in wind, temperature, density, pressure, ionization and airglow fluctuations in the 80-120 km height range. Rockets have enabled the density and temperature structure to be measured with excellent height resolution, while long term studies of wind motions using MST, partial reflection and meteor radars and, more recently, lidar investigations of temperature and density, have enabled the temporal behaviour of the waves to be better understood. A composite of power spectra is shown of wind motions measured near the mesopause at widely separated locations and illustrates how wave energy is distributed as a function of frequency. The spectra show three distinct parts; (1) a long period section corresponding to periods longer than 24 h; (2) a section between 12 and 24 h priod where the spectra are dominated by narrow; peaks associated with the semidiurnal and diurnal tides and (3) a section at periods less than 12 h where the spectral density decreases montonically (except for the 8 h tidal peak). The long period section is associated with transient planetary scale waves while the short period motions are caused by gravity waves.

Vincent, R. A.↗
NASA NTRS2016

Anomalous Temporal Behaviour of Broadband Ly Alpha Observations During Solar Flares from SDO/EVE

Although it is the most prominent emission line in the solar spectrum, there has been a notable lack of studies devoted to variations in Lyman-alpha (Ly-alpha) emission during solar flares in recent years. However, the few examples that do exist have shown Ly-alpha emission to be a substantial radiator of the total energy budget of solar flares (of the order of 10 percent). It is also a known driver of fluctuations in the Earth's ionosphere. The EUV (Extreme Ultra-Violet) Variability Experiment (EVE) on board the Solar Dynamics Observatory (SDO) now provides broadband, photometric Ly-alpha data at 10-second cadence with its Multiple EUV Grating Spectrograph-Photometer (MEGS-P) component, and has observed scores of solar flares in the 5 years since it was launched. However, the MEGS-P time profiles appear to display a rise time of tens of minutes around the time of the flare onset. This is in stark contrast to the rapid, impulsive increase observed in other intrinsically chromospheric features (H-alpha, Ly-beta, LyC, C III, etc.). Furthermore, the emission detected by MEGS-P peaks around the time of the peak of thermal soft X-ray emission and not during the impulsive phase when energy deposition in the chromosphere (often assumed to be in the form of non-thermal electrons) is greatest. The time derivative of Ly-alpha lightcurves also appears to resemble that of the time derivative of soft X-rays, reminiscent of the Neupert effect. Given that spectrally-resolved Ly-alpha observations during flares from SORCE / SOLSTICE (Solar Radiation and Climate Experiment / Solar Stellar Irradiance Comparison Experiment) peak during the impulsive phase as expected, this suggests that the atypical behaviour of MEGS-P data is a manifestation of the broadband nature of the observations. This could imply that other lines andor continuum emission that becomes enhanced during flares could be contributing to the passband. Users are hereby urged to exercise caution when interpreting broadband Ly-alpha observations of solar flares. Comparisons have also been made with other broadband Ly-alpha photometers such as PROBA2 (Project for On-Board Autonomy-2) / LYRA (Lyman Alpha Radiometer) and GOES (Geostationary Operational Environmental Satellite) / EUVE (Extreme Ultraviolet Explorer).

Milligan, Ryan O.↗
DOE OSTI2023

Transition to the Haldane phase driven by electron-electron correlations

One of the most famous quantum systems with topological properties, the spin S = 1 antiferromagnetic Heisenberg chain, is well-known to display exotic S = 1/2 edge states. However, this spin model has not been analyzed from the more general perspective of strongly correlated systems varying the electron electron interaction strength. Here, we report the investigation of the emergence of the Haldane edge in a system of interacting electrons – the two orbital Hubbard model—with increasing repulsion strength U and Hund interaction J H . We show that interactions not only form the magnetic moments but also form a topologically nontrivial fermionic many-body ground-state with zero-energy edge states. Specifically, upon increasing the strength of the Hubbard repulsion and Hund exchange, we identify a sharp transition point separating topologically trivial and nontrivial ground-states. Surprisingly, such a behaviour appears already at rather small values of the interaction, in a regime where the magnetic moments are barely developed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Mapping the nonequilibrium order parameter of a quasi-two dimensional charge density wave system

The driving force of a charge density wave (CDW) transition in quasi-two dimensional systems is still debated, while being crucial in understanding electronic correlation in such materials. Here we use femtosecond time- and angle-resolved photoemission spectroscopy combined with computational methods to investigate the coherent lattice dynamics of a prototypical CDW system. The photo-induced temporal evolution of the periodic lattice distortion associated with the amplitude mode reveals the dynamics of the free energy functional governing the order parameter. Our approach establishes that optically-induced screening rather than CDW melting at the electronic level leads to a transiently modified potential which explains the anharmonic behaviour of the amplitude mode and discloses the structural origin of the symmetry-breaking phase transition.

electronic properties and materials↗
DOE OSTI2026

A metastable tetragonal phase in two-dimensional halide perovskite lattices driven by a coherent Higgs mode

The optoelectronic properties of metal halide perovskites are defined by their coupled structural and photophysical properties, yet their lattice behaviour remains underexplored. Here, using impulsive stimulated Raman spectroscopy, we study light-induced phonon dynamics of two-dimensional butylammonium lead iodide ((BA) 2 PbI 4 ) films under varying excitation intensities, photon energies and temperatures. We reveal that, whereas (BA) 2 PbI 4 exhibits two thermally accessible orthorhombic phases, optically excited phonons transiently direct the lattice to a distinct, higher symmetry tetragonal phase. We show that bandgap oscillations arise from simultaneous distortions of in-plane and out-of-plane octahedral tilt angles with oscillations following a low-to-high symmetry pathway, marked by two vibrational frequencies independent of intensity—a signature of an optically excited Higgs mode. Notably, the Higgs mode at below-bandgap excitation induces a fourfold larger spectral shift than above-bandgap, where photogenerated charge carriers drive the system away from the optically induced tetragonal phase. This study illustrates how optomechanical coupling influences the optical properties of two-dimensional perovskites.

36 MATERIALS SCIENCE↗
NASA NTRS2013

The Herschel* PEP-HERMES Luminosity Function- I. Probing the Evolution of PACS Selected Galaxies to z approx. equal to 4

We exploit the deep and extended far-IR data sets (at 70, 100 and 160 μm) of the Herschel Guaranteed Time Observation (GTO) PACS Evolutionary Probe (PEP) Survey, in combination with the Herschel Multi-tiered Extragalactic Survey data at 250, 350 and 500 μm, to derive the evolution of the rest-frame 35-, 60-, 90- and total infrared (IR) luminosity functions (LFs) up to z ∼ 4.We detect very strong luminosity evolution for the total IR LF (LIR ∝ (1 + z)(sup 3.55 +/- 0.10) up to z ∼ 2, and ∝ (1 + z)(sup 1.62 +/- 0.51) at 2 less than z less than approximately 4) combined with a density evolution (∝ (1 + z)(sup −0.57 +/- 0.22) up to z ∼ 1 and ∝ (1 + z)(sup −3.92 +/- 0.34) at 1 less than z less than approximately 4). In agreement with previous findings, the IR luminosity density (ρIR) increases steeply to z ∼ 1, then flattens between z ∼ 1 and z ∼ 3 to decrease at z greater than approximately 3. Galaxies with different spectral energy distributions, masses and specific star formation rates (SFRs) evolve in very different ways and this large and deep statistical sample is the first one allowing us to separately study the different evolutionary behaviours of the individual IR populations contributing to ρIR. Galaxies occupying the well-established SFR-stellar mass main sequence (MS) are found to dominate both the total IR LF and ρIR at all redshifts, with the contribution from off-MS sources (≥0.6 dex above MS) being nearly constant (∼20 per cent of the total ρIR) and showing no significant signs of increase with increasing z over the whole 0.8 < z <2.2 range. Sources with mass in the range 10 ≤ log(M/solar mass) ≤ 11 are found to dominate the total IR LF, with more massive galaxies prevailing at the bright end of the high-z (greater than approximately 2) LF. A two-fold evolutionary scheme for IR galaxies is envisaged: on the one hand, a starburst-dominated phase in which the Super Massive Black Holes (SMBH) grows and is obscured by dust (possibly triggered by a major merging event), is followed by an AGN-dominated phase, then evolving towards a local elliptical. On the other hand, moderately star-forming galaxies containing a low-luminosity AGN have various properties suggesting they are good candidates for systems in a transition phase preceding the formation of steady spiral galaxies.

Herschel↗
DOE OSTI2024

The Impact of the Halden Reactor Project on the Development of the Bison Fuel Performance Code

The Bison fuel performance code has been under development at Idaho National Laboratory by various programs within the U.S. Department of Energy since 2009. As part of any fuel performance code development, validation is necessary. To this end, several Halden experiments have been used. Early on, the focus was on validating the thermal mechanical behaviour, including pellet cladding mechanical interaction and fission gas release models implemented in Bison. Support for design-basis accident capabilities began in approximately 2014. Also in 2014, the development of models for accident tolerant fuel (ATF) concepts also began. This includes dopedUO2 fuel for which Halden has some experiments with temperature and fission gas release measurements. The Bison team has been fortunate to have two senior developers be secondees to Halden for a year: the late Dr. Giovanni Pastore from May 2015 to April 2016 and the now retired Dr. Richard Williamson in 2018. The paper will provide examples of Bison validation using Halden data for standard UO2 fuel under normal operation and loss-of-coolant accident condition, and ATF concepts. A tribute to the legacy that both the late Giovanni and retired Richard left on the Bison code is provided.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Kinematics and dynamics of disclination lines in three-dimensional nematics

An exact kinematic law for the motion of disclination lines in nematic liquid crystals as a function of the tensor order parameter Q is derived. Unlike other order parameter fields that become singular at their respective defect cores, the tensor order parameter remains regular. Following earlier experimental and theoretical work, the disclination core is defined to be the line where the uniaxial and biaxial order parameters are equal, or equivalently, where the two largest eigenvalues of Q cross. This allows an exact expression relating the velocity of the line to spatial and temporal derivatives of Q on the line, to be specified by a dynamical model for the evolution of the nematic. By introducing a linear core approximation for Q, analytical results are given for several prototypical configurations, including line interactions and motion, loop annihilation, and the response to external fields and shear flows. Behaviour that follows from topological constraints or defect geometry is highlighted. Finally, the analytic results are shown to be in agreement with three-dimensional numerical calculations based on a singular Maier–Saupe free energy that allows for anisotropic elasticity.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Ion Trapping Studies and Mitigation Strategies for the EIC ERL-Based Strong Hadron Cooler

An Energy Recovery Linac based strong hadron cooler was previously considered for the Electron-Ion Collider. The required electron beam parameters for variable-energy strong hadron cooling place significant constraints on ion trapping and collective effects. This paper presents initial studies of these constraints through a combination of analytical modelling and numerical simulations of ion production, trapping behaviour, and mitigation strategies. A multi-bunch tracking framework based on ELEGANT with the ionEffects module is used to simulate machine operation over millisecond time scales, corresponding to more than 3 × 10^5 electron bunches. The simulations include modelling of ionisation processes together with transverse electron–ion dynamics, allowing the evolution and accumulation of ions to be investigated. Analytical expressions based on Gaussian beam distributions are used to estimate ion trapping conditions and benchmark the simulation results. A bi-periodic bunch spacing scheme is also investigated as a possible mitigation method by detuning the ion oscillation frequency. These studies provide an initial assessment of ion trapping in the strong hadron cooler and demonstrate possible approaches for reducing beam–ion effects.

Bi, R. [Lancaster University, Cockcroft Institute]↗
DOE OSTI2024

Defect-induced formation and frustration-driven multiple magnetic transitions in Gd 2 Co 0.90 Si 2.90

A new ternary compound, Gd 2 Co 0.90 Si 2.90 , has been synthesized in a chemically single phase by deliberately introducing lattice vacancies in the Co and Si sites. The system is characterized by DC magnetization, heat capacity, resistivity and density functional theory (DFT) calculations. Here, a detailed experimental study reveals that the system exhibits an antiferromagnetic transition below T N = 11.3 K followed by spin freezing behaviour below T B ~ 4.8 K. An additional high-temperature magnetic transition could also be detected at T H ~ 150 K, which is short range in character and is associated with defect-induced polarization of the conduction electrons. The spin-glass-like state formation in the system is additionally bolstered by the observation of magnetic relaxation and associated aging phenomena as well as the magnetic memory effect. On the basis of non-equilibrium dynamical behaviour, we argue that the glassy state in this compound favours the hierarchical model over the droplet model. DFT calculations and experimental outcomes establish that the ground state is magnetically frustrated due to the small energy difference between distinct spin configurations having closely spaced ground-state energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A general theory of avian migratory connectivity

Birds exhibit a remarkable array of seasonal migrations. Despite much research describing migratory behaviour, the underlying forces driving how a species’ breeding and wintering populations redistribute each year, that is, migratory connectivity, remain largely unknown. Here, we test the hypothesis that birds migrate in a way that minimises energy expenditure while considering intraspecific competition for energy acquisition, by developing a modelling framework that simulates an optimal redistribution of individuals between breeding and wintering areas. Using 25 species across the Americas, we find that the model accurately predicts empirical migration patterns, and thus offers a general explanation for migratory connectivity based on first ecological and energetic principles. Our model provides a strong basis for exploring additional processes underlying the ecology and evolution of migration, but also a framework for predicting how migration impacts local adaptation across seasons and how environmental change may affect population dynamics in migratory species.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2020

Advances in Understanding High-Mass X-ray Binaries with INTEGRAL and Future Directions

High mass X-ray binaries are among the brightest X-ray sources in the Milky Way, as well as in nearby Galaxies. Thanks to their highly variable emissions and complex phenomenology, they have attracted the interest of the high energy astrophysical community since the dawn of X-ray Astronomy. In more recent years, they have challenged our comprehension of physical processes in many more energy bands, ranging from the infrared to very high energies. In this review, we provide a broad but concise summary of the physical processes dominating the emission from high mass X-ray binaries across virtually the whole electromagnetic spectrum. These comprise the interaction of stellar winds with the high gravitational and magnetic fields of compact objects, the behaviour of matter under extreme magnetic and gravity conditions, and the perturbation of the massive star evolutionary processes. We highlight the role of the INTEGRAL mission in the discovery of many of the most interesting objects in the high mass X-ray binary class and its contribution in reviving the interest for these sources over the past two decades. We show how the INTEGRAL discoveries have not only contributed to significantly increase the number of high mass X-ray binaries known, thus advancing our understanding of the population as a whole, but also have opened new windows of investigation that stimulated the multi-wavelength approach nowadays common in most astrophysical research fields. We conclude the review by providing an overview of future facilities being planned from the X-ray to the very high energy domain that will hopefully help us in finding an answer to the many questions left open after more than 18 years of INTEGRAL scientific observations.

Peter Kretschmar↗
NASA NTRS1986

Mechanical and swelling behaviour of well characterized polybutadiene networks

Endlinking of hydroxyl-terminated polybutadiene with the appropriate isocyanate has been used to prepare well characterized networks. Two networks have been studied with molecular weights of the prepolymers being 6100 and 2400 g/mole by g.p.c. Cylindrical specimens were prepared and the derivatives of the stored energy function with respect to the stretch invariants were determined by torque and normal force measurements in torsion. From these data the Valanis-Landel (1967) stored energy function derivatives w-prime(lambda) were determined for both networks. The stored energy function for the junction constraint model of Flory (1953, 1977, 1979, 1985) which is a special form of the Valanis-Landel function, has been fitted to that determined from the experiments. The contributions to the stored energy function from the phantom network and from the junction constraints respectively do not agree with predictions from the topologies of the networks. In spite of this, the form of w-prime(lambda) for the junction constraint model gives an excellent 'curve fit' to the data. Comparison is also made with equilibrium swelling.

Mckenna, Gregory B.↗
DOE OSTI2024

On the predictability of turbulent fluxes from land: PLUMBER2 MIP experimental description and preliminary results

Accurate representation of the turbulent exchange of carbon, water, and heat between the land surface and the atmosphere is critical for modelling global energy, water, and carbon cycles in both future climate projections and weather forecasts. Evaluation of models' ability to do this is performed in a wide range of simulation environments, often without explicit consideration of the degree of observational constraint or uncertainty and typically without quantification of benchmark performance expectations. We describe a Model Intercomparison Project (MIP) that attempts to resolve these shortcomings, comparing the surface turbulent heat flux predictions of around 20 different land models provided with in situ meteorological forcing evaluated with measured surface fluxes using quality-controlled data from 170 eddy-covariance-based flux tower sites. Predictions from seven out-of-sample empirical models are used to quantify the information available to land models in their forcing data and so the potential for land model performance improvement. Sites with unusual behaviour, complicated processes, poor data quality, or uncommon flux magnitude are more difficult to predict for both mechanistic and empirical models, providing a means of fairer assessment of land model performance. When examining observational uncertainty, model performance does not appear to improve in low-turbulence periods or with energy-balance-corrected flux tower data, and indeed some results raise questions about whether the energy balance correction process itself is appropriate. In all cases the results are broadly consistent, with simple out-of-sample empirical models, including linear regression, comfortably outperforming mechanistic land models. In all but two cases, latent heat flux and net ecosystem exchange of CO 2 are better predicted by land models than sensible heat flux, despite it seeming to have fewer physical controlling processes. Land models that are implemented in Earth system models also appear to perform notably better than stand-alone ecosystem (including demographic) models, at least in terms of the fluxes examined here. The approach we outline enables isolation of the locations and conditions under which model developers can know that a land model can improve, allowing information pathways and discrete parameterisations in models to be identified and targeted for future model development.

54 ENVIRONMENTAL SCIENCES↗