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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Robust Stabilization of Inverter-Based Resources Using Virtual Resistance-Based Control

This letter proposes a virtual resistance-based nonlinear control to stabilize and robustify the current layer of inverter-based resources, subject to the grid voltage disturbances, and the grid parameter uncertainties. A class of virtual resistances is proposed and analyzed using concepts from dissipative systems theory. Moreover, specific nonlinear virtual resistance-based controllers are derived, with their corresponding performance analytically bounded. Here, the theoretical and simulation results show that the proposed nonlinear virtual resistance-based controllers significantly reduce the L 2 gain of the closed-loop error system to grid voltage variation and parametric uncertainties. Significant improvements of the transient and steady-state current responses are also demonstrated over linear virtual resistance counterparts.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

On the Stability Analysis of Astrophysical Cooling Functions

To model the temperature evolution of optically thin astrophysical environments at MHD scales, radiative and collisional cooling rates are typically either pretabulated or fit into a functional form and then input into MHD codes as a radiative loss function. Thermal balance requires estimates of the analogous heating rates, which are harder to calculate, and due to uncertainties in the underlying dissipative heating processes these rates are often simply parameterized. The resulting net cooling function defines an equilibrium curve that varies with density and temperature. Such cooling functions can make the gas prone to thermal instability (TI), which will cause departures from equilibrium. There has been no systematic study of thermally unstable parameter space for nonequilibrium states. Motivated by our recent finding that there is a related linear instability, catastrophic cooling instability, that can dominate over TI, here we carry out such a study. We show that Balbus instability criteria for TI can be used to define a critical cooling rate, Λ c , that permits a nonequilibrium analysis of cooling functions through the mapping of TI zones. We furthermore illustrate how thermal conduction modifies the shape of TI zones. Upon applying a Λ c -based stability analysis to coronal loop simulations, we find that loops undergoing periodic episodes of coronal rain formation are linearly unstable to catastrophic cooling instability, while TI is stabilized by thermal conduction.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Unraveling the Atomic Mechanism of the Crystalline Phase‐Dependent Structural Features and Special Spectral Design of α‐, β‐, and Ɛ‐Ga₂O₃

Atomic‐scale phase transformations profoundly influence the functional properties of Ga₂O₃ polymorphs. By combining irradiation experiments with microstructure characterization and theoretical approaches, phase‐specific energy‐dissipation pathways in α‐, β‐, and ε‐Ga₂O₃ are uncovered and strategies for targeted property design are outlined. Competing antiphase boundaries (APBs) and twin domain boundaries (TDBs) promote irreversible α→ε interconversion through domain fragmentation. In β‐Ga₂O₃, defect‐induced stress gradients drive two distinct local transformations: surface Ga‐aggregated β→δ that stabilizes transient states, and latent‐track‐confined β→κ phase transition with recoverable distortions via cation reordering. Under electronic excitation, β‐Ga₂O₃ forms nanohillocks via robust GaO₆ octahedra (high density/strong Ga─O bonds), while α/ε‐Ga₂O₃ generates nanopores from tetrahedral Ga looseness (low bonding energy), highlighting phase‐dependent surface dynamics shaped by atomic packing and bonding anisotropy. Defect‐regulated recombination suppresses visible photoluminescence in α/β‐Ga₂O₃, whereas in ε‐Ga₂O₃ bandgap narrowing of ΔE: 0.30 eV is observed, enhancing emission. Linking phase‐dependent defect‐carrier interactions and metastable‐phase engineering in Ga₂O₃ enables property optimization for power‐electronics and optoelectronics devices.

electronic state configuration↗
DOE OSTI2020

Non-Hermitian approach for quantum plasmonics

Herein, we examine the limits of applicability of a simple non-Hermitian model for exciton/plasmon interactions in the presence of dissipation and dephasing. The model can be used as an alternative to the more complete Lindblad density matrix approach and is computationally and conceptually simpler. We find that optical spectra in the linear regime can be adequately described by this approach. The model can fail, however, under continuous optical driving in some circumstances. In the case of two quantum dots or excitons interacting with a plasmon, the model can also describe coherences and entanglement qualitatively when both dissipation and dephasing are present and quantitatively in the limit with no dephasing. The approach, within a single excitation manifold, is also applied to assess the role of disorder for 50 quantum dots interacting with a plasmon, where we find that, on average, large enough disorder can help stabilize the ensemble average of the open quantum system toward a dark quasi-steady-state much faster than without disorder. Furthermore, while such single excitation manifold calculations in this size limit can readily be done with either the non-Hermitian or Lindblad forms, as one goes to larger Hilbert space sizes, the computational and storage advantages of the non-Hermitian approach can become more useful. Published under license by AIP Publishing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Data-based filtered dissipation rate modelling for multi-modal turbulent combustion: evaluating a priori model generalizability

Manifold-based models offer a computationally efficient alternative to directly transporting the thermochemical state in computational simulations of turbulent reacting flows, projecting the high-dimensional thermochemical state-space onto a low-dimensional manifold. Recent efforts have yielded a manifold-based model applicable to multi-modal combustion, enabling reconstruction of the thermochemical state from solutions to two-dimensional manifold equations in mixture fraction and generalized progress variable that are parameterised by three scalar dissipation rates. In coarse-grained simulations such as Large Eddy Simulation (LES), closure of the multi-modal manifold equations and subfilter variances/covariance requires closure of three filtered scalar dissipation rates. Here, the present work adopts a data-based approach, providing closure for the three filtered scalar dissipation rates via deep neural networks (DNNs). High-fidelity datasets corresponding to an autoigniting n-dodecane jet flame and a bluff body swirl-stabilized confined lifted spray flame of two aviation fuels (Jet-A and C1) with different ignition propensities are leveraged to generate training data that spans a diverse range of thermodynamic conditions and combustion modes, including low- and high-temperature ignition regimes in addition to premixed and nonpremixed behaviour. A final DNN model is trained to enforce inherent physical constraints by learning nonlinear functional transformations of the three filtered scalar dissipation rates. The generalizability of this constrained DNN model is demonstrated a priori via conditional statistics evaluated on the lifted spray flame with C1–a configuration that had not been included in the training data. Excellent DNN agreement with conditional DNS statistics is observed, and integrated gradients are computed to identify the most sensitive input variables. The similarity of the marginal PDFs of the most informative input variables and outputs across configurations are quantified via the Wasserstein metric, demonstrating that data-based models may successfully generalize to unseen parametric conditions so long as the most informative input variables share similar distributions across training and testing datasets.

Data-based modelling↗
DOE OSTI2026

Neural entropy-stable conservative flux form neural networks for learning hyperbolic conservation laws

We propose a neural entropy-stable conservative flux form neural network (NESCFN) for learning hyperbolic conservation laws and their associated entropy functions directly from solution trajectories, without requiring any predefined numerical discretization. While recent neural network architectures have successfully integrated classical numerical principles into learned models, most rely on prior knowledge of the governing equations or assume a fixed discretization. Our approach removes this dependency by embedding entropy-stable design principles into the learning process itself, enabling the discovery of physically consistent dynamics in a fully data-driven setting. By jointly learning both the flux function and a corresponding entropy, NESCFN promotes conservation and entropy dissipation, which is critical for long-term stability and fidelity in the system of hyperbolic conservation laws. Furthermore, numerical results demonstrate that the method achieves stability and conservation over extended time horizons and accurately captures shock propagation speeds, even without oracle access to future-time solution profiles in the training data.

Conservative flux form↗
DOE OSTI2026

Integrating Phase Change Materials within Catalysts for Effective Heat Management

Here, most fuel conversion technologies, including Fischer-Tropsch synthesis, C-C coupling, methanol synthesis, and aldol condensation reactions, are highly exothermic, making precise temperature control essential to avoid thermodynamic limitations while maintaining selectivity and catalyst stability. Current industrial practice mitigates these effects primarily through reactor-level, ex situ temperature control strategies — such as heat exchangers, multi-tubular reactors, or quench cooling — but these approaches fall short in regulating the heat generated, transported, and dissipated at the catalyst particle scale.

Karakaya, Canan [Oak Ridge National Laboratory (OR↗
DOE OSTI2022

CeO 2 Doping of Hf 0.5 Zr 0.5 O 2 Thin Films for High Endurance Ferroelectric Memories

Ferroelectric switching is demonstrated in CeO 2 -doped Hf 0.5 Zr 0.5 O 2 (HZCO) thin films with application in back-end-of-line compatible embedded memories. At low cerium oxide doping concentrations (2.0–5.6 mol%), the ferroelectric orthorhombic phase is stabilized after annealing at temperatures below 400 °C. HZCO ferroelectrics show reliable switching characteristics beyond 10 11 cycles in TiN/HZCO/TiN capacitors, several orders of magnitude greater than identically processed Hf 0.5 Zr 0.5 O 2 (HZO) capacitors, without sacrificing polarization and retention. Internal photoemission and photoconductivity experiments show that CeO 2 -doping introduces in-gap states in HZCO that are nearly aligned with TiN Fermi level, facilitating electron injection through these states. Furthermore, the enhanced average bulk conduction, which may lead to more uniform thermal dissipation in the HZCO films, delays irreversible degradation via breakdown that leads to device failure after repeated programming cycles.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Spectroscopic Studies of Charge-Transfer Character and Photoresponses of F 4 TCNQ-Based Donor–Acceptor Complexes

F 4 TCNQ (2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane) is used widely as a hole-doping agent in photoresponsive organic semiconducting materials, yet relatively little is known about the photoresponses of the F 4 TCNQ· - anion generated via doping. Furthermore, there is still relatively little systematic exploration of how the properties of the local material or chemical environment impacts the driving force for generating these charge-transfer complexes. Here we present spectroscopic and photophysical studies of F 4 TCNQ in charge-transfer complexes (CTCs) with the electron donor N,N’-Diphenyl-N-N’-di-p-tolylbenzene-1,4-diamine (MPDA) both in dichloroethane solution and polystyrene matrices. Integer charge transfer (ICT) between donor and acceptor occurs readily in dichloroethane solvent to form F 4 TCNQ· - :MPDA + CTCs, due to a ~150 mV difference in MPDA + /MPDA and F 4 TCNQ/F 4 TCNQ· - reduction potentials. Ultrafast spectroscopic studies of the CTC as well as electrochemically generated F 4 TCNQ· - and MDPA + reveal that the photoresponses of these CTCs are dominated by that of the dopant anion, including rapid deactivation (800 fs) after excitation to the anion D 1 excited state, followed by slower (~10 ps) vibrational cooling in the anion D 0 state. Excitation to the higher-lying D 2 state results in a rapid relaxation to the D 1 state, in contrast to direct D 2 -D 0 relaxation previously observed for F 4 TCNQ· - in gas phase. CTCs embedded in polystyrene (PS) matrices are observed to lose their integer charge-transfer character upon evaporation of solvent, as evidenced by changes to electronic and vibrational absorption features associated with F 4 TCNQ· - . This change is attributed to the loss of solvent stabilization of the ion pair formed through the charge-transfer reaction. Ultrafast spectral measurements reveal that the photoresponses of the partial charge-transfer (PCT) species embedded in PS are still highly similar to those of the ICT species and unlike that of neutral F 4 TCNQ, implying the electronic properties of the PCT state are likewise dominated by properties of the reduced acceptor molecule. We conclude that excitation of ICT or PCT states introduces optical losses for photoresponses of doped organic semiconductor materials due to the large anion absorption cross section and its rapid, dissipative deactivation dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Traffic Smoothing Using Explicit Local Controllers: Experimental Evidence for Dissipating Stop-and-go Waves with a Single Automated Vehicle in Dense Traffic

This article presents experimental evidence of the ability of a single automated vehicle acting as a controller to effectively dissipate stop-and-go waves in real traffic. The automated vehicle succeeded in stabilizing the speed profile by reducing oscillations in time and speed variations between vehicles during rush hour on I-24 in the Nashville area. Here, we detail the control design, deployment and results obtained in this experiment, conducted as part of the CIRCLES consortium’s “MegaVanderTest” 2022, which involved a total of 100 automated vehicles.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Dynamic Diketoenamine Crosslinking Unlocks Vinyl Polymer Vitrimers From β ‐Triketone Chemistry

Covalent adaptable networks (CANs) offer a compelling strategy to unite the mechanical robustness of thermosets with the reprocessability of thermoplastics, yet achieving simultaneous durability, processability, and true recyclability remains challenging. We introduce diketoenamine (DKE) vitrimers derived from β-triketone methacrylate monomers and demonstrate how rational monomer design dictates network processability, viscoelasticity, and recyclability. By systematically varying the spacer length between the β-triketone (TK) moiety and the polymer backbone, we identify a key structure–property relationship that dictates vitrimer behavior. Networks bearing TK pendants minimally displaced from the backbone suppress creep but exhibit limited stress relaxation, whereas extended spacers yield lower glass transition temperatures, higher effective crosslink densities, and efficient stress dissipation, enabling optical transparency and reprocessability. Extending this platform to ultra-high molecular-weight prepolymers introduces physical entanglements as secondary crosslinks, further enhancing dimensional stability without compromising processability. Both mechanical and chemical recycling validate the closed-loop circularity of these materials. Furthermore, these results establish TK methacrylates as a versatile platform for designing high-performance vitrimers that integrate durability, reprocessability, and true closed-loop recyclability.

closed-loop recyclability↗
DOE OSTI2020

Soft Lattice and Defect Covalency Rationalize Tolerance of β‐CsPbI 3 Perovskite Solar Cells to Native Defects

Abstract Although all‐inorganic metal halide perovskites (MHPs) have shown tremendous improvement, they are still inferior to the hybrid organic–inorganic MHPs in efficiency. Recently, a conceptually new β‐CsPbI 3 perovskite reached 18.4 % efficiency combined with good thermodynamic stability at ambient conditions. We use ab initio non‐adiabatic molecular dynamics to show that native point defects in β‐CsPbI 3 are generally benign for nonradiative charge recombination, regardless of whether they introduce shallow or deep trap states. These results indicate that MHPs do not follow the simple models used to explain defect‐mediated charge recombination in the conventional semiconductors. The strong tolerance is due to the softness of the perovskite lattice, which permits separation of electrons and holes upon defect formation, and only allows carriers to couple to the low‐frequency vibrations. Both factors decrease notably the non‐adiabatic coupling and slow down the dissipation of energy to heat.

Chu, Weibin↗
DOE OSTI2023

Marginal stability constraint on runaway electron distribution

High-frequency kinetic instabilities of the strongly anisotropic runaway electrons (RE) can enhance the pitch-angle scattering of the runaways significantly. This wave-induced scattering can easily prevail over runaway scattering on high-Z impurities. In a steady state, collisional damping balances the kinetic drive of the unstable waves, keeping the RE distribution function at marginal stability. The marginal stability constraint limits the achievable RE densities and the shape of the RE distribution function. In this study, we consider whistler and compressional Alfvén waves as the primary source of enhanced elastic scattering of the runaways. By balancing the anomalous Doppler resonance drive with the collisional wave damping, we find the RE distribution function in the ultra-relativistic range of the phase space. We also derive an expression for the spectral energy density of the waves. We show that the power needed to compensate for the wave dissipation is negligible compared to the work of the electric field. The latter is in balance with the synchrotron losses of the runaway electrons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Kinetic Simulations of the Kruskal–Schwarzschild Instability in Accelerating Striped Outflows: Dynamics and Energy Dissipation

Astrophysical relativistic outflows are launched as Poynting-flux dominated, yet the mechanism governing efficient magnetic dissipation, which powers the observed emission, is still poorly understood. We study magnetic energy dissipation in relativistic "striped" jets, which host current sheets separating magnetically dominated regions with opposite field polarity. The effective gravity force g in the rest frame of accelerating jets drives the Kruskal–Schwarzschild instability (KSI), a magnetic analog of the Rayleigh–Taylor instability. By means of 2D and 3D particle-in-cell simulations, we study the linear and nonlinear evolution of the KSI. The linear stage is well described by linear stability analysis. The nonlinear stages of the KSI generate thin (skin-depth-thick) current layers, with length comparable to the dominant KSI wavelength. There, the relativistic drift-kink mode and the tearing mode drive efficient magnetic dissipation. The dissipation rate can be cast as an increase in the effective width Δ eff of the dissipative region, which follows dΔ eff /dt ≃ 0.05 $\sqrt{Δ_{eff} g}$. Our results have important implications for the location of the dissipation region in gamma-ray burst and active galactic nuclei jets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Light-Induced Transient Lattice Dynamics and Metastable Phase Transition in CH 3 NH 3 PbI 3 Nanocrystals

In this study, methylammonium lead iodide (MAPbI 3 ) perovskite nanocrystals (NCs) offer desirable optoelectronic properties with prospective utility in photovoltaics, lasers, and light-emitting diodes (LEDs). Structural rearrange-ments of MAPbI 3 in response to photoexcitation, such as lattice distortions and phase transitions, are of particular interest, as these engender long carrier lifetime and bolster carrier diffusion. Here, we use variable temperature X-ray diffraction (XRD) and synchrotron-based transient X-ray diffraction (TRXRD) to investigate lattice response following ultrafast optical excitation. MAPbI 3 NCs are found to slowly undergo a phase transition from the tetragonal to a pseudocubic phase over the course of 1 ns under 0.02-4.18 mJ/cm 2 fluence photoexcitation, with apparent nonthermal lattice distortions attributed to polaron formation. Lattice recovery exceeds time scales expected for both carrier recombination and thermal dissipation, indicating meta-stability likely due to the proximal phase transition, with symmetry-breaking along equatorial and axial directions. These findings are relevant for fundamental understanding and applications of structure-function properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Nonequilibrium universality of the nonreciprocally coupled 𝑂⁡(𝑛 1 ) × 𝑂⁡(𝑛 2 ) model

Nonequilibrium dynamics play an important role in all contexts of physics, both classical and quantum as well as living and nonliving, so it is crucial to develop a foundational understanding of nonequilibrium phase transitions. In this work we investigate an important class of nonequilibrium dynamics in the form of nonreciprocal interactions. In particular we study how nonreciprocal coupling between two 𝑂⁡(𝑛𝑖) order parameters (with 𝑖 = 1,2) affects the universality at a multicritical point, extending the analysis of J. T. Young et al. [Phys. Rev. X 10, 011039 (2020)], which considered the case 𝑛 1 = 𝑛 2 = 1, i.e., a ℤ 2 × ℤ 2 model. We show that nonequilibrium fixed points (NEFPs) emerge for a broad range of 𝑛 1 ,𝑛 2 and exhibit intrinsically nonequilibrium critical phenomena, namely a violation of fluctuation-dissipation relations at all scales and underdamped oscillations near criticality in contrast to the overdamped relaxational dynamics of the corresponding equilibrium models. Furthermore, the NEFPs exhibit an emergent discrete scale invariance in certain physically relevant regimes of 𝑛 1 ,𝑛 2 , but not others, depending on whether the critical exponent 𝜈 is real or complex. The boundary between these two regions is described by an exceptional point in the renormalization group (RG) flow, leading to distinctive features in correlation functions and the phase diagram. Another contrast with the previous work is the number and stability of the NEFPs as well as the underlying topology of the RG flow. Lastly, we investigate an extreme form of nonreciprocity where one order parameter is independent of the other order parameter but not vice versa. Unlike the ℤ 2 × ℤ 2 model, which becomes nonperturbative in this case, we identify a distinct nonequilibrium universality class whose dependent field similarly violates fluctuation-dissipation relations but does not exhibit discrete scale invariance or underdamped oscillations near criticality.

Critical phenomena↗
DOE OSTI2026

Strong-Drive Limits in Josephson Circuits: From Chaos to an Unbound-Resonance Threshold

Strong microwave drives enable fast measurement and parametric control in superconducting circuits but can induce transitions out of the intended low-energy manifold. We develop a unified description of strong-drive limits in flux- and charge-driven Josephson circuits across drive frequency and dc flux bias. Using classical phase-space analysis and Floquet--Markov simulations, we identify distinct low- and high-frequency mechanisms. At low frequency, we characterize bound-state resonances and separatrix chaos and find that the flux-drive chaos threshold depends strongly on dc flux bias. At high frequency, these mechanisms are suppressed, and the dissipative steady state transfers from the central bound-state sector to outer resonances formed by above-barrier running trajectories. The resulting unbound-resonance threshold is nearly independent of drive frequency and circuit parameters over the regime studied and is controlled primarily by dc flux bias. Coherent simulations show that parametric operation persists beyond this threshold, but at a reduced rate, setting an effective upper bound on the achievable operation speed. We derive analytical criteria for both thresholds, validate them numerically, and experimentally confirm the predicted dc-bias dependence of the low-frequency threshold in a flux-driven SQUID. We also determine the timescales for transfer into the unbound-resonance regime and relaxation back to the bound-state manifold after the drive is removed. Finally, we relate the stability limits to a complementary picture based on the junction critical current and extend the framework to multitone drives and inductively shunted circuits. Together, these results identify the mechanisms limiting strong driving and suggest routes to extend the stable operating range of Josephson circuits.

You, Xinyuan [Fermilab] (ORCID:0000000291789419)↗