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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 145 records · Page 8

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NASA NTRS1986

Unsteady separation characteristics of airfoils operating under dynamic stall conditions

Unsteady viscous/inviscid interaction phenomena are investigated for airfoils operating under dynamic stall conditions, using coupling procedures between a time-dependent inviscid panel method and two-dimensional unsteady boundary layer codes. Two strategies are pursued: a coupling of the inviscid panel method with the boundary layer code, and a strong coupling of the inviscid panel method with the boundary layer code. Attention is given to the main features of the unsteady time-marching panel method and boundary layer codes, as well as to numerical stability and the phenomenon of unsteady separation.

Geissler, Wolfgang↗

DOE OSTI2024

Mass gaps of a Z 3 gauge theory with three fermion flavors in 1 + 1 dimensions

We consider a Z 3 gauge theory coupled to three degenerate massive flavors of fermions, which we term Quantum Z(3) Dynamics, QZD. The spectrum can be computed in 1 + 1 dimensions using tensor networks. In weak coupling the spectrum is that of the expected mesons and baryons, although the corrections in weak coupling are nontrivial, analogous to those of nonrelativistic QED in 1 + 1 dimensions. In strong coupling, besides the usual baryon, the singlet meson is a baryon-antibaryon state. For two special values of the coupling constant, the lightest baryon is degenerate with the lightest octet meson, and the lightest singlet meson, respectively. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2004

Rain Reevaporation, Boundary Layer Convection Interactions, and Pacific Rainfall Patterns in an AGCM

Sensitivity experiments with an atmospheric general circulation model (AGCM) show that parameterized rain re-evaporation has a large impact on simulated precipitation patterns in the tropical Pacific, especially on the configuration of the model s intertropical convergence zone (ITCZ). Weak re-evaporation leads t o the formation of a "double ITCZ" during the northern warm season. The double ITCZ is accompanied by strong coupling between precipitation and high-frequency vertical motion in the planetary boundary layer (PBL). Strong reevaporation leads to a better overall agreement of simulated precipitation with observations. The model s double ITCZ bias is reduced. At the same time, correlation between high-frequency vertical motion in the PBL and precipitation is reduced. Experiments with modified physics suggest that evaporative cooling by rain near the PBL top weakens the coupling between precipitation and vertical motion. This may reduce the model s tendency to form double ITCZs. The strength of high-frequency vertical motions in the PBL was also reduced directly through the introduction of a diffusive cumulus momentum transport (DCMT) parameterization. The DCMT had a visible impact on simulated precipitation in the tropics, but did not reduce the model s double bias in all cases.

Bacmeister, Julio T.↗

NASA NTRS1986

Efficient numerical techniques for complex fluid flows

The central feature in any flow prediction method is the treatment of the coupling between the momentum and continuity equations. In natural-convection flows, the energy equation also becomes strongly coupled with the momentum equations. Because of the nonlinear nature of the coupling, these equations are solved iteratively. Iterative methods are often prone to slow convergence, divergence, and extreme sensitivity to underrelaxation factors. The aim of the present research is to develop more efficient and reliable solution schemes for the coupled flow equations. Such schemes will significantly reduce the expense of computing complex flows encountered in combustion chambers, gas turbines, heat exchangers, and other practical equipment. In the work completed so far, a technique employing norm reduction in conjunction with the successive-substitution and Newton-Raphson techniques was developed. Also, a block-correction procedure for the flow equations is currently being formulated and tested.

Patankar, Suhas V.↗

DOE OSTI2026

Molecular dynamics simulation of hydrodynamic transport coefficients in plasmas

Molecular dynamics simulations are used to calculate transport coefficients in a two-component plasma interacting through a repulsive Coulomb potential. The thermal conductivity, electrical conductivity, electrothermal coefficient, thermoelectric coefficient, and shear viscosity are computed using the Green–Kubo formalism over a broad range of Coulomb coupling strength, 0.01 ≤ Γ ≤ 140. Emphasis is placed on testing standard results of the Chapman–Enskog solution in the weakly coupled regime (Γ ≪ 1) using these first-principles simulations. As expected, the results show good agreement for Γ ≲ 0.1. However, this agreement is only possible if careful attention is paid to the definitions of linear constitutive relations in each of the theoretical models, a point that is often overlooked. For example, the standard Green–Kubo expression for thermal conductivity is a linear combination of thermal conductivity, electrothermal, and thermoelectric coefficients computed in the Chapman–Enskog formalism. Meaningful results for electrical conductivity are obtained over the full range of coupling strengths explored, but it is shown that potential and virial components of the other transport coefficients diverge in the strongly coupled regime (Γ ≫ 1). In this regime, only the kinetic components of the transport coefficients are meaningful for a classical plasma.

Electrical conductivity↗

DOE OSTI2024

Strong electron–phonon coupling in magic-angle twisted bilayer graphene

The unusual properties of superconductivity in magic-angle twisted bilayer graphene (MATBG) have sparked considerable research interest. However, despite the dedication of intensive experimental efforts and the proposal of several possible pairing mechanisms, the origin of its superconductivity remains elusive. Here, by utilizing angle-resolved photoemission spectroscopy with micrometre spatial resolution, we reveal flat-band replicas in superconducting MATBG, where MATBG is unaligned with its hexagonal boron nitride substrate. These replicas show uniform energy spacing, approximately 150 ± 15 meV apart, indicative of strong electron–boson coupling. Strikingly, these replicas are absent in non-superconducting twisted bilayer graphene (TBG) systems, either when MATBG is aligned to hexagonal boron nitride or when TBG deviates from the magic angle. Calculations suggest that the formation of these flat-band replicas in superconducting MATBG are attributed to the strong coupling between flat-band electrons and an optical phonon mode at the graphene K point, facilitated by intervalley scattering. These findings, although they do not necessarily put electron–phonon coupling as the main driving force for the superconductivity in MATBG, unravel the electronic structure inherent in superconducting MATBG, thereby providing crucial information for understanding the unusual electronic landscape from which its superconductivity is derived.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1973

Competition between charge exchange and chemical reaction - The D2/+/ + H system

Study of the special features of molecular charge exchange and its competition with chemical reaction in the case of the D2(+) + H system. The trajectory surface hopping (TSH) model proposed by Tully and Preston (1971) is used to study this competition for a number of reactions involving the above system. The diatomics-in-molecules zero-overlap approximation is used to calculate the three adiabatic surfaces - one triplet and two singlet - which are needed to describe this system. One of the significant results of this study is that the chemical reaction and charge exchange are strongly coupled. It is also found that the number of trajectories passing into the chemical regions of the three surfaces depends very strongly on the surface crossings.-

Preston, R. K.↗

NASA NTRS1986

Thermal coupling of conjugate ionospheres and the tilt of the earth's magnetic field

The effect of thermal coupling and the tilt of the earth's magnetic field on interhemispheric coupling is investigated, and, due to a longitudinal displacement in the conjugate points, it is found that the tilt significantly effects the upward flow of H(+) flux such that the maximum upward flux can occur several hours before local sunrise. Heating from the conjugate atmosphere, which accompanies solar illumination in one hemisphere, produces electron temperatures 1000 K higher in the dark than in the sunlit hemisphere, and the morning upward H(+) fluxes in the dark ionosphere are as large as the daytime fluxes. A strong symmetry is also noted in the overall behavior of the H(+) fluxes due to the differing day lengths at the conjugate points, which are separated by 15 deg in latitude. Electron temperatures in the conjugate hemispheres are found to be strongly coupled above the F region peaks, though in the vicinity of the peaks near 250 km, the coupling is weak during the day and strong during the night.

Richards, P. G.↗

NASA NTRS1981

Coupled optical resonators for the enhancement of laser intracavity power

A double-cavity optical configuration designed to maximize the power available from CW lasers is reported. A passive supplementary cavity is strongly coupled to the main active laser cavity. It is shown theoretically that higher powers are available inside the passive cavity than those achievable by operating the same laser in a two-mirror configuration designed for optimum coupling. Furthermore, the power inside the passive cavity is equal to or greater than the useful circulating power in the two-mirror configuration. Key aspects of the theory are verified with a high power CW argon laser.

See, Y. C.↗

DOE OSTI2024

Raman enhancement induced by exciton hybridization in molecules and 2D materials

Abstract Surface-enhanced Raman spectroscopy (SERS) is a powerful technique for trace-level fingerprinting. Recently, layered two-dimensional (2D) materials have gained significant interest as SERS substrates for providing stable, uniform, and reproducible Raman enhancement with the potential for trace-level detection. Yet, the development of effective 2D SERS substrates is still hindered by the lack of fundamental understanding of the coupling mechanism between target molecules and substrates. Here, we report a systematic excitation-dependent Raman spectroscopy investigation on the coupling between 2D materials such as SnS 2 , MoS 2 , WSe 2 , and graphene and small organic molecules like rhodamine 6G (Rh 6G). Strong coupling between SnS 2 and Rh 6G is found due to their degenerate excitons through Raman excitation profiles (REP), leading to the enhancement of Rh 6G vibrational modes that are observable down to 10 −13 M. Our study shows that exciton coupling in the substrate-adsorbate complex plays a vital role in the Raman enhancement effect, opening a new route for designing SERS substrates for high sensitivity.

Materials Science↗

DOE OSTI2025

Phases of 2D massless QCD with qubit regularization

We investigate the possibility of reproducing the continuum physics of 2D S U ( N ) gauge theory coupled to a single flavor of massless Dirac fermion using qubit regularization. The continuum theory is described by N free fermions in the ultraviolet (UV) and a coset Wess-Zumino-Witten (WZW) model in the infrared (IR). In this work, we first explore how well these features can be reproduced using the Kogut-Susskind (KS) Hamiltonian with a finite-dimensional link Hilbert space and a generalized Hubbard coupling. We do this by analyzing the renormalization group (RG) flow diagram of the continuum theory and identifying important phases of the theory. Using strong coupling expansions, we show that our lattice model exhibits a gapped dimer phase and a spin-chain phase. Furthermore, for N = 2 , using tensor network methods, we show that there is a second-order phase transition between these two phases, which we identify as the critical surface of the continuum theory that connects the IR and UV fixed points. In the IR, we identify the critical theory at the transition as the expected S U ( 2 ) 1 WZW model. Lastly, we argue that modifications of our model may allow the study of the UV physics of free fermions. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2000

Dynamics of Monsoon-Induced Biennial Variability in ENSO

The mechanism of the quasi-biennial tendency in El Nino Southern Oscillation (ENSO)-monsoon coupled system is investigated using an intermediate coupled model. The monsoon wind forcing is prescribed as a function of Sea Surface Temperature (SST) anomalies based on the relationship between zonal wind anomalies over the western Pacific to sea level change in the equatorial eastern Pacific. The key mechanism of quasi-biennial tendency in El Nino evolution is found to be in the strong coupling of ENSO to monsoon wind forcing over the western Pacific. Strong boreal summer monsoon wind forcing, which lags the maximum SST anomaly in the equatorial eastern Pacific approximately 6 months, tends to generate Kelvin waves of the opposite sign to anomalies in the eastern Pacific and initiates the turnabout in the eastern Pacific. Boreal winter monsoon forcing, which has zero lag with maximum SST in the equatorial eastern Pacific, tends to damp the ENSO oscillations.

Kim, Kyu-Myong↗

NASA NTRS1992

Coupled numerical simulation of the external and engine inlet flows for the F-18 at large incidence

This paper presents a numerical simulation of the external and engine inlet flows for the F-18 aircraft at typical high-angle-of-attack flight conditions. Two engine inlet mass flow rates, corresponding to flight idle and maximum power, were computed. This was accomplished using a structured, overset grid technique to couple the external and internal grid systems. Reynolds-averaged Navier-Stokes solutions were obtained using an implicit, finite-differencing scheme. Results show a strong coupling of the external and engine inlet flows, especially at the maximum power setting. Increasing the mass flow rate through the inlet caused the primary vortex breakdown location to move downstream. This trend is also observed in flight tests performed on the F-18. A reversed flow region upstream of the inlet duct is visible in the faired-inlet and flight-idle computations. This flow reversal is not present in the maximum power setting computation. These large-scale changes in flow structure highlight the importance of simulating inlet conditions in high-angle-of-attack aircraft computations.

Murman, Scott M.↗

DOE OSTI2025

Simultaneous imaging of vibrational, rotational, and electronic wave-packet dynamics in a triatomic molecule

Light-induced molecular dynamics often involve the excitation of several electronic, vibrational, and rotational states. Since the ensuing electronic and nuclear motion determines the pathways and outcomes of photoinduced reactions, our ability to monitor and understand these dynamics is crucial for molecular physics, physical chemistry, and photobiology. However, characterizing this complex motion represents a significant challenge when different degrees of freedom are strongly coupled. In this Letter, we demonstrate how the interplay between vibrational, rotational, and electronic degrees of freedom governs the evolution of molecular wave packets in the low-lying states of strong-field-ionized sulfur dioxide. Using time-resolved Coulomb explosion imaging (CEI) and quantum mechanical wave packet simulations, we directly map the bending vibrations of the molecule, show how the vibrational wave packet is influenced by molecular alignment, and elucidate the consequences of nuclear motion for the coupling between the two lowest electronic states of the cation. Furthermore, our results demonstrate that multicoincident CEI can be an efficient experimental tool for characterizing coupled electronic and nuclear motion in polyatomic molecules.

Atomic & molecular processes in external fields↗

DOE OSTI2026

Lattice-Charge Coupling in a Trilayer Nickelate with Intertwined Density Wave Order

Intertwined charge and spin correlations are ubiquitous in a wide range of transition metal oxides and are often perceived as intimately related to unconventional superconductivity. Theoretically envisioned as driven by strong electronic correlations, the intertwined order is usually found to be strongly coupled to the lattice as signaled by pronounced phonon softening. Recently, both charge and spin density waves (CDW and SDW) and superconductivity have been discovered in several Ruddlesden-Popper (RP) nickelates, in particular trilayer nickelates 𝑅⁢𝐸 4⁢ Ni 3 ⁢O 10 (𝑅⁢𝐸 = Pr, La). The nature of the intertwined order and the role of lattice-charge coupling are at the heart of the debate about these materials. Using inelastic x-ray scattering, we mapped the low-energy phonon dispersions in 𝑅⁢𝐸 4⁢ Ni 3 ⁢O 10 and found no evidence of softening near the CDW wave vector over a wide temperature range, which contrasts with the pronounced anomalies frequently observed in cuprate superconductors. Calculations of the electronic susceptibility revealed a peak at the observed SDW ordering vector but not at the CDW wave vector. Our experimental and theoretical findings highlight the crucial role of the spin degree of freedom and establish a foundation for understanding the interplay between superconductivity and density-wave transitions in RP nickelate superconductors and beyond.

36 MATERIALS SCIENCE↗

NASA NTRS1992

Structural and aerodynamic considerations for an oblique all-wing aircraft

A key design issue for the Oblique All-Wing aircraft is the packaging of the payload compartment, the fuel tanks, and the other internal components within the airfoil. The internal arrangement of such vehicles is strongly coupled to the exterior vehicle geometry. For example, the height requirements of a passenger cabin directly influence the aircraft thickness and span. As a result, the internal arrangement strongly affects aerodynamic performance and structural weight. Configuration criteria are defined and/or discussed, and a baseline aircraft is developed. Also, some of the major tradeoffs that affect structural weight and aerodynamic performance are presented.

Waters, M. H.↗

DOE OSTI2026

Hydration-Controlled Proton Transport in Respiratory Complex I

Proton pumping by respiratory complex I is one essential element for generating the proton motive force that drives ATP synthesis in mitochondria. Although it is understood that electrons from NADH reduce ubiquinone at the peripheral arm and that four protons are transferred in the membrane domain, the mechanism by which this redox reaction initiates proton translocation remains unclear. A lateral pathway linking the quinone binding site to the membrane domain via ND1, ND3, and ND4L subunits has been proposed as a possible initial path of an excess proton. However, experimental structures indicate that the hydration connectivity between D66 ND3 and E34 ND4L is comparatively weaker than in neighboring segments, suggesting a potential regulatory point for proton transfer. Using multiscale reactive molecular dynamics (MS-RMD) and a water wire connectivity metric, we directly simulate proton transport through this region as coupled to the hydration by water molecules. Our results reveal that proton transfer is thermodynamically feasible when transient hydration aligns with the presence of an excess proton, revealing the strong coupling between hydration and proton transfer (PT) in this region of Complex I. These findings support a model where proton injection enhances local hydration, dynamically opening the pathway for proton transfer and regulating the onset of proton pumping in Complex I.

Chemical structure↗

DOE OSTI2025

Comparison of spatial dynamics and point kinetics approaches in multiphysics modeling of the molten salt reactor experiment

In this work, we present validation test results of fully coupled neutronics and thermal-hydraulics models of the Molten Salt Reactor Experiment (MSRE) against experimental data of the zero power pump transients and the natural circulation tests at low power. To capture the strong coupling between neutronics and thermal-hydraulics due to fuel circulation, and to account for the delayed neutron precursor (DNP) distribution, the porous media thermal-hydraulics solver Pronghorn was fully coupled to the spatial neutron dynamics code Griffin, which solves the neutron diffusion equation, and to the 0-D point kinetics solver Squirrel, using a 2-D homogenized representation of the MSRE. The validation test results show very good agreement with experimental data for both point kinetics and spatial dynamics simulations, capturing the strong feedback effect and DNP losses in the MSRE. The 0-D code Squirrel accurately predicted the time-dependent behavior in the MSRE given the steady-state spatial dynamics solution of Griffin.

42 - ENGINEERING↗