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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Vortex-Controlled Quasiparticle Multiplication and Self-Growth Dynamics in Superconducting Resonators

Even in the quantum limit, non-equilibrium quasiparticle (QP) populations induce QP poisoning that irreversibly relaxes the quantum state and significantly degrades the coherence of transmon qubits. A particularly detrimental yet previously unexplored mechanism arises from QP multiplication facilitated by vortex trapping in superconducting quantum circuits, where a high-energy QP relaxes by breaking additional Cooper pairs and amplifying the QP population due to the locally reduced excitation gap and enhanced quantum confinement within the vortex core. Here we directly resolve this elusive QP multiplication process by revealing vortex-controlled QP self-generation in a highly nonequilibrium regime preceding the phonon bottleneck of QP relaxation. At sufficiently low fluence, femtosecond-resolved magneto-reflection spectroscopy directly reveals a continuously increasing QP population that is strongly dependent on magnetic-field-tuned vortex density and absent at higher excitation fluences. Quantitative analysis of the emergent QP pre-bottleneck dynamics further reveals that, although the phonon population saturates within $\simeq$10~ps, both free and trapped QPs continue to grow in a self-sustained manner--hallmarks of the long-anticipated QP-vortex interactions in nonequilibrium superconductivity. We estimate a substantial increase of $\sim$34% in QP density at vortex densities of $\sim$ 100 magnetic flux quanta per $\mathrm{μm^{2}}$. Our findings establish a powerful spectroscopic tool for uncovering QP multiplication and reveal vortex-assisted QP relaxation as a critical materials bottleneck whose mitigation will be essential for resolving QP poisoning and enhancing coherence in superconducting qubits.

Park, Joong M. [Ames Lab]↗
DOE OSTI2025

Recent Improvements in Pronghorn for Advanced Reactor Modeling

Pronghorn is a thermal-hydraulics computational tool developed using the Idaho National Laboratory's Multiphysics Object-Oriented Simulation Environment (MOOSE). It is designed to support Computational Fluid Dynamics (CFD) modeling, ranging from subchannel and porous media analysis to Reynolds Averaged Navier-Stokes (RANS) turbulence modeling. As an integral part of the MOOSE-based suite of tools, Pronghorn seamlessly couples with other MOOSE-based applications to simulate a variety of physical phenomena. This article highlights recent significant enhancements to Pronghorn's CFD modeling capabilities and demonstrates their application to advanced nuclear reactor designs. The recent improvements in Pronghorn primarily focus on modifications to its turbulence modeling capabilities, near-wall corrections and numerical schemes. In terms of turbulence modeling, the two-equation $k-\epsilon$ and $k-\omega$ SST models have been implemented and validated with both equilibrium and non-equilibrium wall treatments. Additionally, corrections for wall roughness, and curvature, and wall-channeling in pebble beds have been introduced in the near-wall modeling. These developments enable more accurate simulations of advanced nuclear reactors. Two case studies are presented in this work: a pool-type Molten Chloride Reactor and a salt-cooled Pebble-Bed High Temperature Reactor. In both cases, the previous models in Pronghorn are compared with the new implementations, demonstrating the improved accuracy achieved with the updated models.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Quantum dynamics of cosmological particle production: interacting quantum field theories with matrix product states

Understanding real-time dynamics of interacting quantum fields in curved space-time remains a major theoretical challenge. We employ tensor network methods to study such dynamics using interacting scalar and gauge theories in 1+1 spacetime dimensions, subject to a quench modeling a homogeneously expanding gravitational background. The models considered are the scalar λϕ 4 theory and the Schwinger model, i.e. a Dirac fermion coupled to a U(1) gauge field which is equivalent via bosonization to a scalar field with a cosine self-interaction. In the free scalar limit, both theories reproduce known analytical results, providing a nontrivial numerical validation of bosonization in curved spacetime for the Schwinger model. Our central finding is that self-interactions lead to a suppression of gravitational particle production compared to the free-field case, as evidenced by two-point functions and the spectra of produced particles. We further examine the behavior of entanglement generation and find that interactions suppress entanglement growth in the λϕ 4 theory, while in the Schwinger model, the interplay between suppressed particle production and enhanced inter-particle correlations leads to more complex entanglement behavior. Our results pave the way for further explorations of nonperturbative quantum real-time dynamics of interacting scalar and gauge theories in arbitrary gravitational backgrounds.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Space-time generalization of mutual information

The mutual information characterizes correlations between spatially separated regions of a system. Yet, in experiments we often measure dynamical correlations, which involve probing operators that are also separated in time. Here, we introduce a space-time generalization of mutual information which, by construction, satisfies several natural properties of the mutual information and at the same time characterizes correlations across subsystems that are separated in time. In particular, this quantity, that we call the space-time mutual information, bounds all dynamical correlations. We construct this quantity based on the idea of the quantum hypothesis testing. As a by-product, our definition provides a transparent interpretation in terms of an experimentally accessible setup. We draw connections with other notions in quantum information theory, such as quantum channel discrimination. Finally, we study the behavior of the space-time mutual information in several settings and contrast its long-time behavior in many-body localizing and thermalizing systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

The Schwinger-Keldysh coset construction

The coset construction is a tool for systematically building low energy effective actions for Nambu-Goldstone modes. This technique is typically used to compute time-ordered correlators appropriate for S-matrix computations for systems in their ground state. In this paper, we extend this technique to the Schwinger-Keldysh formalism, which enables one to calculate a wider variety of correlators and applies also to systems in a mixed state. We focus our attention on internal symmetries and demonstrate that, after identifying the appropriate symmetry breaking pattern, Schwinger-Keldysh effective actions for Nambu-Goldstone modes can be constructed using the standard rules of the coset construction. Particular emphasis is placed on the thermal state and ensuring that correlators satisfy the KMS relation. We also discuss explicitly the power counting scheme underlying our effective actions. We comment on the similarities and differences between our approach and others that have previously appeared in the literature. In particular, our prescription does not require the introduction of additional “diffusive” symmetries and retains the full non-linear structure generated by the coset construction. We conclude with a series of explicit examples, including a computation of the finite-temperature two-point functions of conserved spin currents in non-relativistic paramagnets, antiferromagnets, and ferromagnets. Along the way, we also clarify the discrete symmetries that set antiferromagnets apart from ferromagnets, and point out that the dynamical KMS symmetry must be implemented in different ways in these two systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Linear growth of circuit complexity from Brownian dynamics

How rapidly can a many-body quantum system generate randomness? Using path integral methods, we demonstrate that Brownian quantum systems have circuit complexity that grows linearly with time. In particular, we study Brownian clusters of N spins or fermions with time-dependent all-to-all interactions, and calculate the Frame Potential to characterize complexity growth in these models. In both cases the problem can be mapped to an effective statistical mechanics problem which we study using path integral methods. Within this framework it is straightforward to show that the kth Frame Potential comes within ϵ of the Haar value after a time of order t ~ kN + k log k + log ϵ –1 . Using a bound on the diamond norm, this implies that such circuits are capable of coming very close to a unitary k-design after a time of order t ~ kN. We also consider the same question for systems with a time-independent Hamiltonian and argue that a small amount of time-dependent randomness is sufficient to generate a k-design in linear time provided the underlying Hamiltonian is quantum chaotic. These models provide explicit examples of linear complexity growth that are analytically tractable and are directly applicable to practical applications calling for unitary k-designs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Holography for BCFTs with multiple boundaries: multi-splitting quenches

We elaborate on the method introduced in arXiv:2403.02165 for holographic duals of Boundary Conformal Field Theories (BCFTs) with multiple boundaries. Naïvely, as the number of boundaries grow large such a calculation becomes unmanageable. We show that is not always the case. Using these advances we calculate the entanglement entropy as a function of time for 1+1-dimensional CFTs that are split into N subsystems. We give explicit results for N = 4 and N = 17. We find that all qualitative differences that arise for larger N are present N = 4.

AdS-CFT correspondence↗
DOE OSTI2025

Dissipation in open holography

We exploit the holographic realization of a conformal theory coupled to an external bath realized via a double trace deformation and its gravity dual in terms of transparent boundary conditions in order to map out some basic dissipative properties of this simple open holographic system. In particular, we determine the energy transmission coefficient across the boundary, discover a novel duality relating weak and strong coupling to the external bath, and quantify the dissipation in the system by working out the quasi normal modes.

AdS-CFT correspondence↗
DOE OSTI2024

Flame kinetics at scramjet-engine-relevant conditions: Role of prompt dissociation of weakly-bound radicals

Combustion in high-speed ram-based propulsion engines occurs under distinct thermodynamic conditions of high reactant temperatures (greater than 1000 K) and relatively low pressures (<5 atm). There is a lack of fundamental flame measurements at such conditions that result in adiabatic flame temperatures (T ad ) exceeding 2500 K. In this work, we have measured laminar flame speeds of oxygen-enriched CH 4 /oxidizer mixtures at sub-atmospheric conditions to probe kinetics at high T ad using the isobaric spherically expanding flame approach. Simulations with recent kinetic models revealed increasing differences between data and model predictions with increasing T ad , reaching up to 25 %. Kinetic analyses reveal that at the thermodynamic conditions in these O 2 -enriched flames, i.e., lower pressures and higher T ad , the effects of HCO prompt dissociation are accentuated. In addition to HCO, the prompt dissociations of CH 2 OH and C 2 H 5 are also considered. Here, the prompt dissociations of all three radicals were evaluated and their effects considered in flame speed simulations. Reaction path analysis for the present flames revealed that approximately half of the reaction flux for HCO formation undergoes prompt dissociation to H + CO. Furthermore, these analyses also revealed that the pathways and sensitive reactions are similar between oxygen-enriched fuel/oxidizer mixtures and preheated fuel/air mixtures, if both have similar T ad . Thus, flames of oxygen-enriched mixtures could be a surrogate to probe the flame chemistry of highly preheated mixtures at relatively low pressures that are often encountered in ram-based propulsion engine combustors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

On the design of stable, consistent, and conservative high-order methods for multi-material hydrodynamics

Obtaining stable and high-order numerical solutions for multi-material hydrodynamics is an open challenge. Although slope limiters are widely used to maintain monotonicity near discontinuities, typical limiting procedures violate closure laws at the discrete level when applied to multi-material hydrodynamics equations. Due to this, the high-order expansions of quantities related by the closure laws are no longer consistent. The commonly observed symptom of this consistency-violation is that the numerical method fails to maintain constant pressure and velocity across material interfaces. This leads to sub-optimal convergence rates for smooth multi-material problems as well. Specialized limiting procedures that satisfy consistency while maintaining conservation need to be developed for such equations. A novel procedure that re-instates consistency into slope-limited high-order discretizations applied to the multi-material hydrodynamics equations is presented here. Using simple examples, it is demonstrated that the presented method satisfies closure laws at the discrete level, while maintaining conservative properties of the high-order method. Furthermore, this procedure involves a projection step which relies on the compact basis of the underlying spatial discretization, i.e. for discontinuous schemes (viz. DG and FV) the projection is local, and does not involve global matrix solves. Comparisons with conventional approaches emphasizes the necessity of the consistent closure-law preserving limiting approach, in order to maintain design order of accuracy for smooth multi-material problems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Kinetics of low temperature plasma assisted NH 3 /H 2 oxidation in a nanosecond-pulsed discharge

Ammonia (NH 3 ) has been widely recognized as one of the carbon-neutral fuels. However, ammonia combustion suffers low reactivity and high N 2 O/NO x emissions. Here, to overcome these issues, this work reports plasma assisted NH 3 /H 2 oxidation and unveils the kinetics of fuel oxidation and N 2 O/NO x formation by combining time-resolved laser diagnostics with plasma modeling. Firstly, we found that the NH 3 consumption is promoted with a H 2 blending ratio of 0.3, due to enhancements of H and OH formation by plasma assisted H 2 dissociation. Secondly, at a high reduced electric field, when the H 2 blending ratio increases, the NH 3 oxidation is promoted due to both the HO 2 formation and strong NO kinetic enhancement via NO-HO 2 and NO 2 -H pathways. In the meantime, it is shown that the NO mole fraction also increases with H 2 blending ratio, because the NO formation is enhanced via N( 2 D)-O 2 pathways, and the DeNO x chemistry is weakened with less NH 2 production. By contrast, at a lower reduced electric field, when the H 2 blending ratio increases, the decreased N( 2 D) formation does not produce enough NO to replenish the NO formation drop caused by lower NH 3 concentration. Thirdly, the reduced electric field non-monotonically affects fuel consumption and N 2 O/NO x formation by manipulating electron energy deposition pathways. The NH 3 consumption is maximized with an optimal reduced electric field where N 2 * excitation and O 2 dissociation are most efficient. When the reduced electric field deviates from its optimum, the NH 3 consumption decreases due to the discharge energy deposition to either vibrational excitation or dissociation of N 2 . The N 2 O/NO x emissions governed by the NH 3 oxidation follow the above NH 3 consumption trend.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Hidden domain boundary dynamics toward crystalline perfection

A central paradigm of nonequilibrium physics concerns the dynamics of heterogeneity and disorder, impacting processes ranging from the behavior of glasses to the emergent functionality of active matter. Understanding these complex mesoscopic systems requires probing the microscopic trajectories associated with irreversible processes, the role of fluctuations and entropy growth, and the timescales on which nonequilibrium responses are ultimately maintained. Approaches that illuminate these processes in model systems may enable a more general understanding of other heterogeneous nonequilibrium phenomena, and potentially define ultimate speed and energy cost limits for information processing technologies. Here, we apply ultrafast single-shot X-ray photon correlation spectroscopy to resolve the nonequilibrium, heterogeneous, and irreversible mesoscale dynamics during a light-induced phase transition in a (PbTiO 3 ) 16 /(SrTiO 3 ) 16 superlattice. Such ferroelectric superlattice systems are a useful platform to study phase transitions and topological dynamics due to their high degree of tunability. This provides an approach for capturing the nucleation of the light-induced phase, the formation of transient mesoscale defects at the boundaries of the nuclei, and the eventual annihilation of these defects, even in systems with complex polarization topologies. We identify a nonequilibrium correlation response spanning >10 orders of magnitude in timescales, with multistep behavior similar to the plateaus observed in supercooled liquids and glasses. We further show how the observed time-dependent long-time correlations can be understood in terms of stochastic and non-Markovian dynamics of domain walls, encoded in waiting-time distributions with power-law tails. This work defines possibilities for probing the nonequilibrium and correlated dynamics of disordered and heterogeneous media.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Crossover from quantum to classical transport

Understanding the crossover from quantum to classical transport phenomena has become of fundamental importance not only for technological applications due to the creation of sub-10nm transistors – an important building block of our modern life – but also for elucidating the role played by quantum mechanics in the evolutionary fitness of biological complexes. This article provides a basic introduction into the nature of charge and energy transport in the quantum and classical regimes. Here, it will identify the characteristic transport properties in both limits, and demonstrate how they can be connected through the loss of quantum mechanical coherence. I will identify the salient features of the crossover physics, and demonstrate their importance in opening new transport regimes and for understanding efficient and robust energy transport in biological complexes.

charge↗
DOE OSTI2025

Suppression of ferromagnetic correlations in hole-doped SrCo 2 As 2

We report the growth of high-quality single crystals of hole-doped composition Sr 0.95 K 0.05 Co 2 As 2 and present an investigation of its structural, electronic, thermal, and magnetic properties. Our results show that hole doping leads to a substantial suppression of ferromagnetic (FM) correlations present in SrCo 2 As 2 leading to nearly isotropic magnetic susceptibilities χ ab,c (T) of Sr 0.95 K 0.05 Co 2 As 2 . The presence of FM fluctuations is considered one of the detrimental reasons why SrCo 2 As 2 does not achieve a superconducting ground state despite having a precursor for it in the form of stripe-like antiferromagnetic fluctuations. The suppression of FM fluctuations leads to qualitative similarities between the properties of hole-doped SrCo 2 As 2 and the end member of superconducting 122 iron-arsenide family KFe 2 As 2 . Our results also infer the presence of strongly correlated electronic states in Sr 0.95 K 0.05 Co 2 As 2 . Further, they show that the electronic structure of SrCo 2 As 2 as well as this hole-doped composition is exceptionally unstable in the vicinity of Fermi level EF for small alterations in the structural parameters and sensitively depends upon the details of simulation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Ultrafast One-Dimensional Peierls-Distortion Dynamics in 1⁢T′−Re⁢S 2 Revealed by 4D Electron Microscopy

Rhenium disulfide (ReS 2 ), a prototypical 2D semiconductor with an anisotropic 1⁢T′ structure due to the pronounced Peierls distortion, has demonstrated great potential for polarization-dependent optoelectronics and photonics. Here, we report an ultrafast phase transition occurring within 1 ps, accompanied by a one-dimensional Peierls-distortion relaxation in 1⁢T′−ReS 2 revealed with combined 4D electron microscopy and time-dependent density functional theory calculations. Upon femtosecond laser pulse excitation, the Re-Re dimerization morphology rapidly transforms from a diamond cluster to zigzag chains and persists for several nanoseconds. Here, this ultrafast Peierls-distortion relaxation is further verified by transient changes in optical anisotropy via polarization-dependent transient absorption spectroscopy. Time-dependent density functional theory calculations attribute this novel phase transition to strong correlation between Peierls distortion and impulsive photoexcited carrier doping, predicting a transient band-gap collapse. This Letter opens up an exciting avenue for ultrafast control of Peierls-distortion-induced anisotropy and the metal-insulator transition in 1⁢T′−ReS 2 .

1T’-ReS2↗
DOE OSTI2025

Quantum graph models for transport in filamentary switching

The formation of metallic nanofilaments bridging two electrodes across an insulator is a mechanism for resistive switching. Examples of such phenomena include atomic synapses, which constitute a distinct class of memristive devices the behavior of which is closely tied to the properties of the filament. Until recently, experimental investigation of the low-temperature regime and quantum transport effects has been limited. However, with growing interest in understanding the true impacts of the filament on device conductance, comprehending quantum effects has become crucial for quantum neuromorphic hardware. Here, we discuss quantum transport resulting from filamentary switching in a narrow region where the continuous approximation of the contact is not valid, and only a few atoms are involved. In this scenario, the filament can be represented by a graph depicting the adjacency of atoms and the overlap between atomic orbitals. Using the theory of quantum graphs with locally diffusive node scattering, we calculate the scattering amplitude of charge carriers on this graph and explore the interplay between filamentary formation and quantum transport effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Laser Measurements and Modeling of Shock Tunnel Freestream Velocity and Multispecies Thermal Nonequilibrium

Coherent anti-Stokes Raman scattering (CARS) and nitric oxide molecular tagging velocimetry (NO-MTV) were used to characterize the freestream in Sandia’s Hypersonic Shock Tunnel (HST) using a burst-mode laser operated at 100 kHz. Experiments were performed at nominal freestream velocities of 3 and 4 km/s using both air and N 2 test gas. The CARS diagnostic provides nonequilibrium characterization of the flow by measuring vibrational and rotational temperatures of N 2 and O 2 , which are compared to NO temperatures from separate laser absorption experiments. Simultaneous, collinear freestream velocities were measured using NO MTV along with pitot pressure measurements. Furthermore, this extensive freestream dataset is compared to nonequilibrium CFD that is capable of modeling species-specific, vibrational temperatures throughout the nozzle expansion. Significant nonequilibrium between vibrational and rotational temperatures was measured at each flow condition. N 2 exhibits the most nonequilibrium, followed by O 2 and NO. The CFD model captures this trend, although it consistently overpredicts N 2 and O 2 vibrational temperatures. At 3 km/s, the modeled NO nonequilibrium is underpredicted, whereas it is overpredicted at 4 km/s. Good agreement is seen between CFD and the velocity and rotational temperature measurements. Experiments with water added to the test gas yielded no discernable difference in vibrational relaxation.

Aerodynamics↗
DOE OSTI2024

1D Simulation of Avalanche to Streamer to Spark Transition of Plasma Discharge in Ammonia-Air Combustion

The backward problem of plasma assisted combustion emphasizes evaluating the effect of the evolving thermochemical state on the plasma discharge. This paper investigates the dependence of avalanche to streamer to spark formation dynamics and kinetics on the gas composition and temperature at different points in an ammonia-air premixed laminar flame using a self-consistent multigrid-based 1D plasma solver. Different values of ..alpha.., the coefficient for effective ionization events per unit length, have been reported for electron avalanches in air and stoichiometric NH3-air mixtures. The streamer inception has been shown to obey the Meek's criterion. An exponential reduction in streamer and spark formation time has been observed from plasma simulations at different points in the unburnt, pre-heat zone, reaction zone and the fully burnt regions of the premixed flame. While the enhancement of the reduced electric field with increasing temperature affects effective ionization, there exists a minimum breakdown field for streamer formation, which does not vary proportionally with the changing number density of the gas. The change in the mixture from reactants (NH3, O2, N2) to products of complete combustion of ammonia in air (N2, H2O) has also been shown to affect the streamer and spark formation. Finally, the major pathways during the streamer and spark phases which are responsible for producing important radicals used in combustion of NH3 are also discussed.

ADVANCED PROPULSION SYSTEMS,INORGANIC, ORGANIC, PH↗