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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 217 records · Page 12

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NASA NTRS1991

Interaction of a finite-length ion beam with a background plasma - Reflected ions at the quasi-parallel bow shock

The coupling of a finite-length, field-aligned, ion beam with a uniform background plasma is investigated using one-dimensional hybrid computer simulations. The finite-length beam is used to study the interaction between the incident solar wind and ions reflected from the earth's quasi-parallel bow shock, where the reflection process may vary with time. The coupling between the reflected ions and the solar wind is relevant to ion heating at the bow shock and possibly to the formation of hot, flow anomalies and re-formation of the shock itself. Consistent with linear theory, the waves which dominate the interaction are the electromagnetic right-hand polarized resonant and nonresonant modes. However, in addition to the instability growth rates, the length of time that the waves are in contact with the beam is also an important factor in determining which wave mode will dominate the interaction. It is found that interaction will result in strong coupling, where a significant fraction of the available free energy is converted into thermal energy in a short time, provided the beam is sufficiently dense or sufficiently long.

Onsager, T. G.↗

NASA NTRS1983

Coupling of radiation into thin film modes by means of localized plasma resonances

The interaction between the surface plasmon mode that propagates at a metal dielectric interface and the localized plasma resonances (LPR) is investigated experimentally in Ag-island films. A stair-stepped sample geometry comprising a glass substrate, a continuous 50-nm Ag film, an LiF spacer film of thickness d = 5-60 nm, and an Ag-island film of mass thickness 3 nm is used in near-normal-reflectivity and plasmon-propagation-constant (k) determinations. The results are presented graphically and discussed. The overall shape of the reflectivity curves is found to be characteristic of Ag films, but with a dip at about 400 nm (corresponding to the absorption resonance of the island film) which is most pronounced with d = 25 nm. It is inferred that the island resonances are strongly coupled to a continuous-film dissipative mechanism at this d value. This inference is supported by the fact that the variation in k, correctd for LiF effects and plotted as a function of d, is greatest at around d = 25 nm. The implications of this finding for broad-band coupling into a thin-film mode, LPR enhancement of waveguide nonlinear effects, and new surface-enhanced-Raman-scattering geometries are indicated.

Holland, W. R.↗

NASA NTRS1981

Parameterization of linear wave chemical transport in planetary atmospheres by eddy diffusion

Two-dimensional transport by linear waves is parameterized by wave velocity and temperature correlations and nonconservative properties of the atmosphere in a residual Eulerian framework. Explicit expressions derived for the eddy tracer flux vector are written in eddy diffusion tensor form, but it is demonstrated that strong coupling of chemistry and temperature through the rate constants, as is the case for ozone, requires additional terms proportional to the mixing ratio and not to its gradient. A variety of limiting cases are discussed. In the residual Eulerian framework the K(yz), K(zy) components are nonzero for a nonconservative atmosphere and/or a reactive tracer. Tracers have common transport coefficients in the limit where their chemistry is negligible in comparison to transience. It is shown that the usual one-dimensional vertical eddy diffusion continuity equation is rigorously valid only when the temperature dependence of the rate constants is negligible and the tracer has strong vertical stratification relative to its horizontal variability.

Strobel, D. F.↗

NASA NTRS1983

Structural dynamics studies of rotating bladed-disk assemblies coupled with flexible shaft motions

In order to analyze the dynamic behavior of the first stage compressor/fan of the 'E3' turbofan engine, a classical structural dynamics approach is employed to couple the motions of a flexible bladed disk to a rotating flexible shaft. The analysis accounts for flexible disk displacements which are transverse to the plane of rotation, and radial as well as tangential, and also accounts for rigid disk translations along, and rotations about, axes normal to the undeformed shaft axes. In the case of a wide range of E3 engine shaft flexibilities and speeds, some of the one-diametral node frequencies are shown to be affected by shaft degrees of freedom whose stiffness values are in general range of design practice. Coriolis forces are also found to significantly affect natural frequencies where strong coupling between certain modes is present.

Loewy, R. G.↗

DOE OSTI2025

Near-threshold states in coupled D D * − D * D * scattering from lattice QCD

The first determination of doubly charmed isospin-0 coupled-channel D D * − D * D * scattering amplitudes from lattice quantum chromodynamics (QCD) is presented. The finite-volume spectrum is computed for three lattice volumes with a light-quark mass corresponding to m π ≈ 391 MeV and is used to extract the scattering amplitudes in J P = 1 + via the Lüscher quantization condition. By analytically continuing the scattering amplitudes to complex energies, a T c c pole corresponding to a virtual bound state is found below D D * threshold. We also find a second pole, T c c ′ , corresponding to a resonance pole below the kinematically closed D * D * channel, to which it has a strong coupling. A nonzero coupling is robustly found between the S -wave D D * and D * D * channels producing a clear cusp in the D D * amplitude at the D * D * threshold energy. This suggests that the experimental T c c ′ should be observable in D D * and D * D * final states at ongoing experiments. Published by the American Physical Society 2025

Whyte, Travis (ORCID:000000027661301X)↗

NASA NTRS1995

Thermal and chemical convection in planetary mantles

Melting of the upper mantle and extraction of melt result in the formation of a less dense depleted mantle. This paper describes series of two-dimensional models that investigate the effects of chemical buoyancy induced by these density variations. A tracer particles method has been set up to follow as closely as possible the chemical state of the mantle and to model the chemical buoyant force at each grid point. Each series of models provides the evolution with time of magma production, crustal thickness, surface heat flux, and thermal and chemical state of the mantle. First, models that do not take into account the displacement of plates at the surface of Earth demonstrate that chemical buoyancy has an important effect on the geometry of convection. Then models include horizontal motion of plates 5000 km wide. Recycling of crust is taken into account. For a sufficiently high plate velocity which depends on the thermal Rayleigh number, the cell's size is strongly coupled with the plate's size. Plate motion forces chemically buoyant material to sink into the mantle. Then the positive chemical buoyancy yields upwelling as depleted mantle reaches the interface between the upper and the lower mantle. This process is very efficient in mixing the depleted and undepleted mantle at the scale of the grid spacing since these zones of upwelling disrupt the large convective flow. At low spreading rates, zones of upwelling develop quickly, melting occurs, and the model predicts intraplate volcanism by melting of subducted crust. At fast spreading rates, depleted mantle also favors the formation of these zones of upwelling, but they are not strong enough to yield partial melting. Their rapid displacement toward the ridge contributes to faster large-scale homogenization.

Dupeyrat, L.↗

DOE OSTI2025

Apparent 𝑤 <−1 and a Lower 𝑆 8 from Dark Axion and Dark Baryons Interactions

We show that a simple coupling between dark energy and dark matter can simultaneously address two distinct hints at new physics coming from cosmological observations. The first is the recent evidence from the DESI project and supernovae observations that the dark energy equation of state w is evolving over cosmic time from an earlier value that is <-1 to a present-day value >-1. The second observation is the so-called S8 tension, describing the suppression of the growth of matter overdensities compared to that expected in the ΛCDM model. Here, we propose a stable, technically natural particle physics implementation of this idea, in which dark matter consists of dark baryons in a strongly coupled hidden sector, and the dark energy field is the associated dark axion. The time variation of the dark matter mass results in an effective dark energy equation of state that exhibits a phantom crossing behavior consistent with recent results. It also results in a slight delay in matter-radiation equality, which suppresses the overall growth of density perturbations.

Axions↗

NASA NTRS2016

Precipitation and Carbon-Water Coupling Jointly Control the Interannual Variability of Global Land Gross Primary Production

Carbon uptake by terrestrial ecosystems is increasing along with the rising of atmospheric CO2 concentration. Embedded in this trend, recent studies suggested that the interannual variability (IAV) of global carbon fluxes may be dominated by semi-arid ecosystems, but the underlying mechanisms of this high variability in these specific regions are not well known. Here we derive an ensemble of gross primary production (GPP) estimates using the average of three data-driven models and eleven process-based models. These models are weighted by their spatial representativeness of the satellite-based solar-induced chlorophyll fluorescence (SIF). We then use this weighted GPP ensemble to investigate the GPP variability for different aridity regimes. We show that semi-arid regions contribute to 57% of the detrended IAV of global GPP. Moreover, in regions with higher GPP variability, GPP fluctuations are mostly controlled by precipitation and strongly coupled with evapotranspiration (ET). This higher GPP IAV in semi-arid regions is co-limited by supply (precipitation)-induced ET variability and GPP-ET coupling strength. Our results demonstrate the importance of semi-arid regions to the global terrestrial carbon cycle and posit that there will be larger GPP and ET variations in the future with changes in precipitation patterns and dryland expansion.

chlorophyll fluorescence↗

DOE OSTI2025

Disentangling the Impacts of Microtopography and Shrub Distribution on Snow Depth in a Subarctic Watershed: Toward a Predictive Understanding of Snow Spatial Variability

Snow plays a critical role in carbon cycling, vegetation dynamics, and permafrost hydrology at high latitudes by influencing surface energy exchange. Predicting snow distribution patterns is essential for understanding the evolution of Arctic ecosystems, yet scaling process-level knowledge to landscape predictions remains challenging. Here, we analyze snow depth (2019 and 2022), terrain elevation, and vegetation height from a watershed on the Seward Peninsula, Alaska, to examine how topography and shrubs shape snow redistribution across spatial scales. We find that snow depth is strongly coupled to terrain at scales below ∼60 m but becomes increasingly decoupled at larger scales. The topographic model of snow depth variation, which transforms terrain data to align with these scale-dependent snow patterns, is well correlated with local snow depth variations (linear fit R 2 > 0.5 for 85% of 100-m patches). A machine learning reconstruction of shrub canopy snow trapping reveals a simple exponential relationship between canopy structure and snow accumulation ( R 2 = 0.59), highlighting the combined influence of topography and vegetation on snow distribution. Together, these empirical relationships capture much of the observed snow variability in the watershed ( R 2 = 0.49, root mean square error (RMSE) = 30 cm), though systematic limitations persist in areas of strong scour and at coarser scales where wind-terrain interactions are more complex. These findings provide a framework for more efficient snow depth prediction and offer insights to improve snow-vegetation feedback representation in Earth System Models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Mechanical Resonant Sensing of Spin Texture Dynamics in a 2D Antiferromagnet

Abstract The coupling between the spin degrees of freedom and macroscopic mechanical motions, including striction, shearing, and rotation, has attracted wide interest with applications in actuation, transduction, and information processing. Experiments so far have established the mechanical responses to the long‐range ordered or isolated single spin states. However, it remains elusive whether mechanical motions can couple to a different type of magnetic structure, the non‐collinear spin textures, which exhibit nanoscale spatial variations of spin (domain walls, skyrmions,etc.) and are promising candidates to realize high‐speed computing devices. Here, collective spin texture dynamics is detected with nanoelectromechanical resonators fabricated from 2D antiferromagnetic (AFM) MnPS 3 with 10 −9 strain sensitivity. By examining radio frequency mechanical oscillations under magnetic fields, new magnetic transitions are identified with sharp dips in resonant frequency. They are attributed to collective AFM domain wall motions as supported by the analytical modeling of magnetostriction and large‐scale spin‐dynamics simulations. Additionally, an abnormally large modulation in the mechanical nonlinearity at the transition field infers a fluid‐like response due to ultrafast domain motion. The work establishes a strong coupling between spin texture and mechanical dynamics, laying the foundation for electromechanical manipulation of spin texture and developing quantum hybrid devices.

Chemistry↗

NASA NTRS1988

Theoretical study of the nitrogen atom hyperfine coupling constant

The nitrogen-atom isotropic hyperfine coupling constant A(iso) is studied as a function of improvements in both the one-particle and n-particle basis sets. The study underscores the importance of diffuse basis functions. For example, the (9s 5p) primitive set of Huzinaga (1965) augmented with an even-tempered diffuse s function yields values for A(iso) that are virtually identical to an energy-optimized (23s 12p) even-tempered set. The A(iso) constant is found to converge relatively quickly with increasing l quantum numbers: d, f, and g functions are estimated to contribute 2.5 + or - 0.2, 0.4 + or - 0.1, and 0.05 + or - 0.05 MHz, respectively. Full CI calibration calculations indicate that very high levels of correlation treatment are required for quantitative results. In addition, a strong coupling is observed between the one-particle and n-particle requirements. The best result, 10.4 MHz, is in excellent agreement with the accurate experimental value of 10.4509 MHz.

Bauschlicher, Charles W., Jr.↗

NASA NTRS1994

Acoustic instability driven by cosmic-ray streaming

We study the linear stability of compressional waves in a medium through which cosmic rays stream at the Alfven speed due to strong coupling with Alfven waves. Acoustic waves can be driven unstable by the cosmic-ray drift, provided that the streaming speed is sufficiently large compared to the thermal sound speed. Two effects can cause instability: (1) the heating of the thermal gas due to the damping of Alfven waves driven unstable by cosmic-ray streaming; and (2) phase shifts in the cosmic-ray pressure perturbation caused by the combination of cosmic-ray streaming and diffusion. The instability does not depend on the magnitude of the background cosmic-ray pressure gradient, and occurs whether or not cosmic-ray diffusion is important relative to streaming. When the cosmic-ray pressure is small compared to the gas pressure, or cosmic-ray diffusion is strong, the instability manifests itself as a weak overstability of slow magnetosonic waves. Larger cosmic-ray pressure gives rise to new hybrid modes, which can be strongly unstable in the limits of both weak and strong cosmic-ray diffusion and in the presence of thermal conduction. Parts of our analysis parallel earlier work by McKenzie & Webb (which were brought to our attention after this paper was accepted for publication), but our treatment of diffusive effects, thermal conduction, and nonlinearities represent significant extensions. Although the linear growth rate of instability is independent of the background cosmic-ray pressure gradient, the onset of nonlinear eff ects does depend on absolute value of DEL (vector differential operator) P(sub c). At the onset of nonlinearity the fractional amplitude of cosmic-ray pressure perturbations is delta P(sub C)/P(sub C) approximately (kL) (exp -1) much less than 1, where k is the wavenumber and L is the pressure scale height of the unperturbed cosmic rays. We speculate that the instability may lead to a mode of cosmic-ray transport in which plateaus of uniform cosmic-ray pressure are separated by either laminar or turbulent jumps in which the thermal gas is subject to intense heating.

Begelman, Mitchell C.↗

NASA NTRS1992

On the coupling between a supersonic boundary layer and a flexible surface

The coupling between a two-dimensional, supersonic, laminar boundary layer and a flexible surface is studied using direct numerical computations of the Navier-Stokes equations coupled with the plate equation. The flexible surface is forced to vibrate by plane acoustic waves at normal incidence emanated by a sound source located on the side of the flexible surface opposite to the boundary layer. The effect of the source excitation frequency on the surface vibration and boundary layer stability is analyzed. We find that, for frequencies near the fifth natural frequency of the surface or lower, large disturbances are introduced in the boundary layer which may alter its stability characteristics. The interaction between a stable two-dimensional disturbance of Tollmien-Schlichting (TS) type with the vibrating surface is also studied. We find that the disturbance level is higher over the vibrating flexible surface than that obtained when the surface is rigid, which indicates a strong coupling between flow and structure. However, in the absence of the sound source the disturbance level over the rigid and flexible surfaces are identical. This result is due to the high frequency of the TS disturbance which does not couple with the flexible surface.

Frendi, Abdelkader↗

NASA NTRS1992

On the coupling between a supersonic boundary layer and a flexible surface

The coupling between a two-dimensional, supersonic, laminar boundary layer and a flexible surface is studied using direct numerical computations of the Navier-Stokes equations coupled with the plate equation. The flexible surface is forced to vibrate by plane acoustic waves at normal incidence emanated by a sound source located on the side of the flexible surface opposite to the boundary layer. The effect of the source excitation frequency on the surface vibration and boundary layer stability is analyzed. We find that, for frequencies near the fifth natural frequency of the surface or lower, large disturbances are introduced in the boundary layer which may alter its stability characteristics. The interaction between a stable two-dimensional disturbance of Tollmien-Schlichting (TS) type with the vibrating surface is also studied. We find that the disturbance level is higher over the vrating flexible surface than that obtained when the surface is rig id, which indicates a strong coupling between flow and structure. However, in the absence of the sound source the disturbance level over the rigid and flexible surfaces are identical. This result is due to the high frequency of the TS disturbance which does not couple with the flexible surface.

Frendi, Abdelkader↗

DOE OSTI2025

Conformationally Adaptable Extractant Flexes Strong Lanthanide Reverse-Size Selectivity

Chemical selectivity is traditionally understood in the context of rigid molecular scaffolds with precisely defined local coordination and chemical environments that ultimately facilitate a given transformation of interest. By contrast, nature leverages dynamic structures and strong coupling to enable specific interactions with target species in otherwise complex media. Taking inspiration from nature, we demonstrate unconventional selectivity in the solvent extraction of light over heavy lanthanides using a conformationally flexible ligand called octadecyl acyclopa (ODA). This novel ligand forms pseudocyclic molecular complexes with lanthanide ions at organic/aqueous interfaces, revealed by vibrational sum frequency generation spectroscopy. These complexes are extracted into the organic phase, where femtosecond structural dynamics are probed by two-dimensional infrared spectroscopy and ab initio molecular dynamics simulations to mechanistically frame the macroscopic selectivity trends. We find larger-than-expected structural fluctuations and bond lengths for heavy Ln–ODA complexes that arise from an inability of ODA to contort around the smaller ions to satisfy all would-be bonding interactions, despite forming some individually strong bonds. This finding contrasts with the binding of ODA with lighter lanthanides where, despite individually weaker bonds, collective interactions manifest that minimize structural fluctuations and give rise to enhanced thermodynamic stability. Furthermore, these results point to a new paradigm where conformational dynamics and cumulative bonding interactions can be used to facilitate unconventional chemical transformations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Bootstrap embedding for interacting electrons in phonon coherent-state mean field

Here, we develop a Fermi–Bose bootstrap embedding framework for the ground state of interacting electrons coupled to a phonon mean field. The method combines bootstrap embedding for correlated electrons with a self-consistent coherent-state mean-field treatment for phonons. This method models the interacting electron–phonon problem as a system of correlated electrons traveling in a self-consistently specified potential landscape, allowing for efficient treatment of large lattice systems. Convergence of the methods for fragment size and total system size is demonstrated for the one-dimensional Hubbard–Holstein model for up to 350 sites. Finite-size scaling is performed to extrapolate to the infinite system size. Benchmarking against the density matrix renormalization group for a small 8-site system at half- and quarter-filling shows an orders-of-magnitude runtime advantage. The comparison further reveals that the method performs best in regimes dominated by localization, such as the Mott insulating phase and the strong-coupling tiny polaron regime, where the local embedding ansatz is still valid. However, due to the mean-field treatment for phonons, we find limitations of our methods in the weakly coupled delocalized region and at the Peierls transition, where quantum phonon fluctuations and long-range kinetic correlations become substantial.

Islam, Shariful [North Carolina State University, ↗

DOE OSTI2024

Strain‐Driven Stabilization of a Room‐Temperature Chiral Multiferroic with Coupled Ferroaxial and Ferroelectric Order

Noncollinear ferroic materials are sought after as testbeds to explore the intimate connections between topology and symmetry, which result in electronic, optical, and magnetic functionalities not observed in collinear ferroic materials. For example, ferroaxial materials have rotational structural distortions that break mirror symmetry and induce chirality. When ferroaxial order is coupled with ferroelectricity arising from a broken inversion symmetry, it offers the prospect of electric-field-control of the ferroaxial distortions and opens up new tunable functionalities. However, chiral multiferroics, especially ones stable at room temperature, are rare. A strain-stabilized, room-temperature chiral multiferroic phase in single crystals of BaTiS 3 is reported here. Using first-principles calculations, the stabilization of this multiferroic phase having P6 3 space group for biaxial tensile strains exceeding 1.5% applied on the basal ab-plane of the room temperature P6 3 cm phase of BaTiS 3 is predicted. The chiral multiferroic phase is characterized by rotational distortions of TiS 6 octahedra around the long c-axis and polar displacement of Ti atoms along the c-axis. Furthermore, the ferroaxial and ferroelectric distortions and their domains in P6 3 -BaTiS 3 are directly resolved using atomic resolution scanning transmission electron microscopy. Landau-based phenomenological modeling predicts a strong coupling between the ferroelectric and the ferroaxial order making P6 3 -BaTiS 3 an attractive test bed for achieving electric-field-control of chirality.

Chalcogenide↗

DOE OSTI2026

Deciphering and Manipulating Low Dimensional Magnetism

This program investigates the electronic structure and collective quantum phenomena of correlated magnetic materials using advanced angle-resolved photoemission spectroscopy (ARPES) and complementary probes, with a focus on three interrelated material families: (i) the semiconducting van der Waals magnet Cr₂Ge₂Te₆, (ii) metallic Fe-based van der Waals magnets including Fe₃GeTe₂ Fe₃GaTe₂, and Fe5GeTe₂, and (iii) kagome magnets such as FeGe, FeSn, and CsV₃Sb₅/CsCr₃Sb₅. In Cr₂Ge₂Te₆, our work established how spin excitations develop across a dimensional crossover as spins establish correlation to form long range order, providing a clean platform to isolate correlation effects. In metallic Fe-based magnets, we uncovered the dichotomy between flat and dispersive bands, revealed momentum-dependent electronic reconstructions tied to magnetic order, and demonstrated reversible, non-volatile electronic switching near room temperature, highlighting the strong coupling among spin, charge, and lattice degrees of freedom in metallic ferromagnets. In kagome magnets, we identified charge density wave formation, symmetry breaking, flat-band renormalization, and field-induced momentum-dependent electronic anisotropy, elucidating how geometric frustration and electronic correlations conspire to generate emergent quantum states. Collectively, these results establish a unified microscopic framework for understanding correlation-driven electronic reconstruction, symmetry breaking, and collective order across semiconducting and metallic magnetic systems, advancing DOE mission goals in quantum materials discovery and control.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗