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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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749 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Time-Resolved Stochastic Dynamics of Quantum Thermal Machines

Steady-state quantum thermal machines are typically characterized by a continuous flow of heat between different reservoirs. However, at the level of discrete stochastic realizations, heat flow is unraveled as a series of abrupt quantum jumps, each representing an exchange of finite quanta with the environment. Here, in this work, we present a framework that resolves the dynamics of quantum thermal machines into cycles classified as enginelike, coolinglike, or idle. We analyze the statistics of individual cycle types and their durations, enabling us to determine both the fraction of cycles useful for thermodynamic tasks and the average waiting time between cycles of a given type. Central to our analysis is the notion of intermittency, which captures the operational consistency of the machine by assessing the frequency and distribution of idle cycles. Our framework offers a novel approach to characterizing thermal machines, with significant relevance to experiments involving mesoscopic transport through quantum dots.

full counting statistics↗
DOE OSTI2025

Echo state network for coarsening dynamics of charge density waves

An echo state network (ESN) is a type of reservoir computer that uses a recurrent neural network with a sparsely connected hidden layer. Compared with other recurrent neural networks, one great advantage of ESN is the simplicity of its training process. Yet, despite the seemingly restricted learnable parameters, ESN has been shown to successfully capture the spatial-temporal dynamics of complex patterns. Here we build an ESN to model the coarsening dynamics of charge-density waves (CDWs) in a semiclassical Holstein model, which exhibits a checkerboard electron density modulation at half-filling stabilized by a commensurate lattice distortion. The inputs to the ESN are local CDW order parameters in a finite neighborhood centered around a given site, while the output is the predicted CDW order of the center site at the next time step. Special care is taken in the design of couplings between hidden layer and input nodes to ensure lattice symmetries are properly incorporated into the ESN model. Since the model predictions depend only on CDW configurations of a finite domain, the ESN is scalable and transferrable in the sense that a model trained on dataset from a small system can be directly applied to dynamical simulations on larger lattices. Furthermore, our work opens avenues for efficient dynamical modeling of pattern formations in functional electron materials.

2-dimensional systems↗
DOE OSTI2023

Fracture‐Resistant and Thermally Insulating Ultrahigh‐Temperature Carbide Foams

Dense ultrahigh‐temperature ceramics (UHTCs) carbides are recognized as potential materials for thermal protection systems (TPS) owing to properties beyond existing structural materials’ capabilities. Recent advances in UHTCs have enabled the development of multiscale porous microstructures. Herein, it is highlighted that the porosity in UHTCs are no longer treated as a defect but as a functional property specifically tailored for thermal insulation. It is a promising solution to design and fabricate bulk UHTC foams via a freeze‐drying (FD) approach followed by calibrated pressureless spark plasma sintering. Herein, monolithic TaC and HfC UHTC foams and their composite show the partial solid–solution formation of (Ta, Hf)C with porosity ≥50%. TaC–HfC foam (≈80–92 N) shows an intermediate load‐bearing capability compared to monolithic TaC (≈120–135 N) and HfC (≈28–35 N) foams, with no evident cracking on the sample surface. The thermal conductivity of partial solid‐solution TaC–HfC foam increases up to fivefold compared to parent UHTC foams. In the results, solid solutions’ efficacy and pores’ unidirectionality in providing thermal insulation to TaC–HfC while maintaining its high‐load bearing capability are illustrated. In conclusion, the developed technique establishes a new paradigm shift in UHTCs, expanding their potential for TPS in extreme environments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Vasomotion in Human Fingers

Introduction: We describe methods by which vasomotion can be recorded in awake and anesthetized human subjects without significant interference from other spontaneous vascular oscillations. Methods: In three separate studies, we used photoplethysmography (PPG) to record vasomotion in fingertips. In Study 1, we induced chemical sympathectomy in the studied hand of 11 awake subjects who received intravenous dexmedetomidine infusions. In Study 2, we administered four progressively increasing intravenous dexmedetomidine infusions to 16 awake volunteers. In Study 3, we recorded vasomotion simultaneously from 6 fingers of 7 patients who were under dexmedetomidine-based anesthesia. Five-minute epochs of PPG recordings that displayed slow vascular oscillations were analyzed for frequency and amplitude. Results: In Study 1, vasomotion frequencies were 0.025 ± 0.008 Hz. In Study 2, vasomotion frequencies were 0.033 ± 0.006 Hz, and 0.032 ± 0.008 Hz during the two highest dexmedetomidine infusion steps. In Study 3, vasomotion frequencies ranged from 0.020 to 0.037 Hz and were observed in all 6 fingers, with no synchrony between the six fingers. Conclusion: The vascular oscillations we observed without significant interference from other spontaneous oscillations are independent of neural activity (Study 1), local in nature (Study 3), and associated with alpha-2-adrenoceptor activation, consistent with known properties of vasomotion.

Cardiovascular System & Cardiology↗
DOE OSTI2024

Analytical Model for Atomic Relaxation in Twisted Moiré Materials

By virtue of being atomically thin, the electronic properties of heterostructures built from two-dimensional materials are strongly influenced by atomic relaxation. The atomic layers behave as flexible membranes rather than rigid crystals. Here we develop an analytical theory of lattice relaxation in twisted moiré materials. We obtain analytical results for the lattice displacements and corresponding pseudo gauge fields, as a function of twist angle. We benchmark our results for twisted bilayer graphene and twisted WSe 2 bilayers using large-scale molecular dynamics simulations. Our single-parameter theory is valid in graphene bilayers for twist angles 𝜃 ≳ 0.7°, and in twisted WSe 2 for 𝜃 ≳ 1.6°. Furthermore, we also investigate how relaxation alters the electronic structure in twisted bilayer graphene, providing a simple extension to the continuum model to account for lattice relaxation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

SAM Finite Volume Method Development Status Update: GCR Application, Restart, and MultiApp

The System Analysis Module (SAM) is being developed as a modern system analysis code for advanced non-light-water-reactor safety analysis under the U.S. DOE NEAMS program. Previous feasibility studies have demonstrated that a staggered-grid finite volume method (SG-FVM), implemented under the MOOSE framework, can deliver more than an order of magnitude speedup over the existing continuous Galerkin finite element method (CG-FEM) solver for liquid-cooled, incompressible but thermally expandable flow systems. This work extends the previous effort to compressible, gas-cooled reactor applications, where pressure couples directly into the mass equation adding additional nonlinearity into the equation system. New code capabilities are implemented for pebble bed high-temperature gas-cooled reactor (PB-HTGR) analysis, including a pebble bed CoreChannel component, built-in pebble bed effective thermal conductivity model and channel-to-channel crossflow model. The capabilities are tested, benchmarked, and demonstrated for problems with increased level of model and physical complexities, including the HTTU effective thermal conductivity test, the SANA passive cooling test, and a demonstration case using the GPBR200 reactor design covering steady-state operation, DLOFC and PLOFC transients. Across all cases, the SG-FVM solver demonstrated strong robustness and efficiency, and the solutions agree well with reference results and data. The finding of this work proves that SG-FVM is a viable and efficient solver pathway for compressible, gas-cooled reactor system analysis in SAM. In addition, work has been done to successfully support SAM-FVM recover/restart code feature that is essential to reactor safety analysis applications, and MultiApp code feature that is essential to multi-scale and multi-physics simulations. In summary, this work continued from previous feasibility studies, and further demonstrated that the SG-FVM will serve as a strong foundation for SAM’s advanced solver algorithm for future deployment.

Zou, Ling↗
DOE OSTI2025

Strong Kitaev Interaction in BaCo 2⁢ (AsO 4 ) 2

The inelastic neutron scattering results and their analysis unequivocally point to a dominant Kitaev interaction in the honeycomb-lattice cobaltate BaCo 2 ⁢(AsO 4 ) 2 . Our anisotropic-exchange model closely describes all available neutron scattering data in the material’s field-polarized phase. Furthermore, the density-matrix renormalization group results for our model are in close accord with the unusual double-zigzag magnetic order and the low in-plane saturation field of BaCo 2 ⁢(AsO 4 ) 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Osmotic and phoretic competition explains chemotaxic assembly and sorting

Microscale objects responding to chemical gradients by migrating toward or away from a preferred species is a simple yet constitutive mechanism by which transport occurs in biological organisms. Synthetic chemotaxis provides key physical descriptions of simplified systems that can be used in biological models, or in the creation of advanced responsive material systems. In this article, we provide a quantitative framework for understanding synthetic chemotaxis of microparticles which involves a competition between phoresis and osmosis. We present separate quantitative measurements of phoresis and osmosis acting on individual taxing particles, finding that phoresis follows the long-predicted v ∼ 1 / r 2 scaling while the osmotic contribution depends on the geometry and details of the system, and must be solved on a case-by-case basis. Through this, we are able to develop a more accurate picture of particle transport at the single particle level. Equipped with this approach, we go on to describe how high concentrations of particles in a symmetric chemical gradient grow close-packed hives that reach a steady-state size tunable through light intensity or particle size. Last, we demonstrate that mixed particles experiencing the same chemical gradient will selectively migrate toward or away depending on the nature of the particle surface, thereby locally sorting out a particular species. We anticipate these results will be important in describing both biological and synthetic chemotaxis in phoretic systems and should bring a wealth of studies that take advantage of competing osmotic flows to illicit unexpected dynamic active behavior.

Science & Technology - Other Topics↗
DOE OSTI2026

Field Validation of a Grid-Interactive Efficient Building Software Solution

The U.S. General Services Administration's (GSA's) Green Proving Ground (GPG) program, in partnership with the National Laboratory of the Rockies (NLR), completed a field study of a Grid-Interactive Efficient Buildings (GEB) software solution. The study focused on a single testbed facility to test the GEB functionality of the software solution, along with other features. The testbed facility - a courthouse - is a common building type in GSA's vast building portfolio, offering potentially impactful findings on a scalable level. The study evaluated Prescriptive Data's technology, Nantum OS, a connected building operating system ("GEB Solution") which aggregates multiple sources of previously siloed building data and combines that data with external sources, such as weather information or utility signals, into a single integrated platform. A GEB Solution is a type of Energy Management Information System (EMIS). EMIS is defined as a system of devices, data services, and software applications that communicates with any building system or third-party data source to aggregate and transform data into new capabilities to aid in the optimization of energy use at the building, campus, or agency level. This specific GEB Solution is an EMIS with ASO, automated system optimization, offering supervisory control of certain aspects of the Building Automation System (BAS). Multiple features were evaluated including, but not limited to, Continuous Demand Management to avoid setting new monthly kilowatt (kW) peaks, energy efficiency for reduction of kilowatt hours (kWh) and natural gas consumption, and automated demand response (ADR) for purposes of lowering demand during a utility called Demand Response (DR) event. The testbed facility was the Foley Federal Building and US Courthouse ("Foley Federal Building") located in Las Vegas, NV. This is a 209,496 sq. ft. building constructed in the 1960s with major renovations in 2004. The facility was a good candidate due to the large prevalence of office and courthouse spaces in the GSA portfolio of buildings. It also has many features which allow integration into and control of the building and a strong facilities team to assist with the study. Quantitative and qualitative performance objectives were developed using GSA's GPG GEB project template along with input from the vendor and building facility staff; these are outlined in Table 1. The quantitative performance objectives focused on continuous demand management, energy efficiency, and automated demand response. The qualitative performance objectives focused on the ease of installation and commissioning as well as the operability of the GEB solution. Other performance metrics that are reported on include carbon reduction, cost effectiveness, and occupant acceptance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Constraining primordial non-Gaussianity from DESI DR1 quasars and Planck PR4 CMB lensing

We present the first measurement of local-type primordial non-Gaussianity from the cross-correlation between 1.2 million spectroscopically confirmed quasars from the first data release (DR1) of the Dark Energy Spectroscopic Instrument (DESI) and the Planck PR4 CMB lensing reconstructions. The analysis is performed in three tomographic redshift bins covering 0.8 < z < 3.5, covering a sky fraction of ∼20%. We adopt a catalog-based pseudo-C ℓ estimator and apply linear imaging weights validated on noiseless mocks. Compared to previous analyses using photometric quasar samples, our results benefit from the high purity of the DESI spectroscopic sample, the reduced noise of PR4 lensing, and the absence of excess large-scale power in the spectroscopic quasar auto-correlation. Fitting simultaneously for the non-Gaussianity parameter f NL and the linear bias amplitude in each redshift bin, we obtain f NL = 2 +28 -34 for a response parameter p = 1.6, and f NL = 6 +20 -24 for p = 1.0. These results improve the constraints on f NL by ∼35% compared to the previous analysis based on the Legacy Imaging Survey DR9. Additionally, we derive an optimal weighting scheme to maximize the constraining power. In this case, and assuming p = 1.6, we obtain f NL = 19 +25 -31 . Our results demonstrate the statistical power of DESI quasars for probing inflationary physics, and highlight the promise of future DESI data releases.

cosmological parameters from CMBR↗
DOE OSTI2026

Tetrel Bond-Mediated Photophysical Modulation and Fluoride Recognition in Carbazole-Organosilanes

Silicon-centered orbitals are typically regarded as electronically inert in donor–acceptor systems. Here, we show that silole-based carbazole–silane architectures can render these orbitals electronically relevant, enabling modulation of excited-state behavior and anion-responsive photophysics. Two carbazole–Dipp–silanes exhibit identical carbazole-localized LE singlet emission in solution yet diverge markedly in the solid state: one compound displays a broad long-wavelength emission band in the prompt spectrum and enhanced long-lived emission consistent with a triplet-derived excited state, likely arising from a combination of intramolecular structural locking and solid-state packing effects, whereas the more flexible analogue remains predominantly LE-emissive. Fluoride coordination further differentiates the two systems, producing ratiometric red-shifted emission in one case and fluorescence quenching in the other through a fully reversible coordination process. These results identify σ*(Si–Ar) orbitals as tunable contributors to excited-state landscapes in organosilane luminophores and suggest a broader design strategy for controlling excited-state behavior in tetrel-based photofunctional systems.

Haque, Md Hasanul↗
DOE OSTI2026

Security Constrained Economic Optimization of Photovoltaic and Other Distributed Assets

The rapid growth of distributed energy resources (DERs), especially photovoltaic (PV) systems, has introduced new complexities in maintaining grid reliability, stability, and cost-effective operation. This project addresses these challenges by developing and demonstrating a scalable GridOS Distributed Energy Resource Management System (DERMS) that enables secure, real-time optimization and control of DERs at the distribution feeder level.

14 SOLAR ENERGY↗
DOE OSTI2026

Adapter Signaling Evaluations on EVs [Slides]

In case J3400 and J3400/1 define a basic analog signaling approach for DC charging adapters to communicate over-temperature events to both the EV and EVSE. They also require the EV to implement mitigation and corrective actions in cases where the EVSE does not respond to adapter thermal signals. In this study, multiple production vehicles were evaluated for responsiveness to assess field readiness and ensure consistent performance in accordance with the SAE J1772, J3400 and J3400/1 standards. A series of test cases were developed and executed across different vehicles, using an adapter thermal breakout fixture designed by NLR for evaluations. The results revealed notable variations in behavior: some vehicles expected to comply with J1772 were found to be non-responsive under certain conditions. Additionally, while some EV OEMs appear to align with the J3400 standard, discrepancies exist due to its evolving nature, resulting in inconsistent implementation of the latest requirements. These findings highlight the need for alignment within standards organizations to ensure consistent interpretation, encourage compliance, and reduce potential confusion across implementations.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2026

An Automated Probabilistic Asteroid Prediscovery Pipeline

We present an automated and probabilistic method to make prediscovery detections of near-Earth asteroids (NEAs) in archival survey images, with the goal of reducing orbital uncertainty immediately after discovery. We refit the Minor Planet Center's astrometry and propagate the full six-parameter covariance to survey epochs to define search regions. We build low-threshold source catalogs for viable images and evaluate every detected source in a search region as a candidate prediscovery. We eliminate false positives by refitting a new orbit to each candidate and probabilistically linking detections across images using a likelihood ratio. Applied to the Zwicky Transient Facility's (ZTF) imaging, we identify approximately 3000 recently discovered NEAs with prediscovery potential, including a doubling of the observational arc for about 500. We use archival ZTF imaging to make prediscovery detections of the potentially hazardous asteroid 2021 DG1, extending its arc by 2.5 yr and reducing future apparition sky plane uncertainty from many degrees to arcseconds. We also recover 2025 FU24 nearly 7 yr before its first known observation, when its sky plane uncertainty covers hundreds of square degrees across thousands of ZTF images. The method is survey agnostic and scalable, enabling rapid orbit refinement for new discoveries from Rubin, NEO Surveyor, and NEOMIR.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Achieving 20.1% Efficiency in Organic Solar Cells Through Interconnected Fibrillar Networks via Local Molecular Stacking

ABSTRACT The performance of organic solar cells (OSCs) is governed by how molecular packing evolves into interconnected networks that facilitate exciton dissociation and charge transport. Using an all‐small‐molecule blend DR3TSBDT:Y6 as a model system, we study how local molecular stacking evolves into performance‐relevant morphology during solvent vapor annealing (SVA) and subsequent thermal annealing (TA). SVA promotes end‐to‐end stacking of amorphous acceptors to form interconnected fibrils, while TA compacts inter‐fibril spacing without disrupting favorable local order. Such molecular‐to‐morphological refinements broaden light absorption, enhance charge transport, and markedly improve device efficiency. Extending this approach to additional blend systems (D18:Y6, D18:L8‐BO, and DR3TSBDT:L8‐BO) yields similar structural evolution and performance gains, with the D18:L8‐BO system achieving up to 20.10% PCE. Our study establishes control over local stacking in amorphous acceptors into fibrillar networks as a general and effective route to realize high‐performance OSCs.

Wu, Junying↗
DOE OSTI2026

Two-dimensional non-equilibrium melting of charged colloids

Thermodynamic two-dimensional melting has been extensively studied in experiments and simulations, and is well predicted by theory. For systems in equilibrium, this transition is well described by the Kosterlitz–Thouless–Halperin–Nelson–Young theory, where melting is directly linked to the unbinding of topological defects. For driven, non-equilibrium melting and other non-equilibrium phase transitions, the picture is less clear. Here, in this work, we study the two-dimensional melting of a crystal of charged colloids. By randomly replacing some charged colloids with magnetic colloids, we can melt our system by rotating a fraction of the particles to create non-equilibrium, hydrodynamic random flows and local stresses. We can also melt it thermally by changing the particle number density. We find that an effective temperature approach cannot explain the results of our driven system. Rather, in both experiments and simulations, we observe that plotting the hexatic order parameter and the hexatic correlation’s exponent versus the density of disclinations and dislocations, respectively, yields universal curves. This implies that in our systems, two-dimensional melting depends directly on the density of topological defects and is independent of whether thermal or non-equilibrium forces generate them.

critical phenomena↗
DOE OSTI2026

Prioritizing Uncertainties in Hydrogen Contribution to Risk in Post-Crash Outcomes for Rail

This report presents analysis from Sandia National Laboratories predicting contributions to risk associated with the use of hydrogen technology for rail. Event sequence diagrams are used to describe possible accident scenarios and progressions. Initiating event frequencies and branch event probabilities for each scenario are quantified with uncertainty using distributions fit to Federal Railroad Administration and U.S. Department of Transportation Pipeline and Hazardous Materials Safety Administration data on applicable accidents from 2000 to 2020. Uncertainty is propagated through the event sequence diagram to estimate the frequency and conditional probability of accident end states. The analysis identifies four scenarios with significant contributions to risk from hydrogen that are predicted to occur relatively frequently, which may inform priorities for reducing uncertainty. These scenarios are 1) overpressure events resulting from collisions with hydrogen release due to mechanical damage and delayed ignition, 2) jet fire events resulting from collisions with hydrogen release due to mechanical damage and immediate ignition, 3) jet fires resulting from fire or explosion initiating events involving the hydrogen tank and correct operation of the thermally-activated pressure relief device (TPRD) subsequent to the thermal insult, and 4) pressure burst resulting from fire or explosion initiating events involving the hydrogen tank and failure of the TPRD. Delayed and immediate hydrogen ignition probabilities are identified as being highly uncertain and potential candidates for reducing conservatism in the predicted frequencies for these two scenarios.

08 HYDROGEN↗
DOE OSTI2022

Quantum Circuits for the Preparation of Spin Eigenfunctions on Quantum Computers

The application of quantum algorithms to the study of many-particle quantum systems requires the ability to prepare wave functions that are relevant in the behavior of the system under study. Hamiltonian symmetries are important instruments used to classify relevant many-particle wave functions and to improve the efficiency of numerical simulations. In this work, quantum circuits for the exact and approximate preparation of total spin eigenfunctions on quantum computers are presented. Two different strategies are discussed and compared: exact recursive construction of total spin eigenfunctions based on the addition theorem of angular momentum, and heuristic approximation of total spin eigenfunctions based on the variational optimization of a suitable cost function. The construction of these quantum circuits is illustrated in detail, and the preparation of total spin eigenfunctions is demonstrated on IBM quantum devices, focusing on three- and five-spin systems on graphs with triangle connectivity.

97 MATHEMATICS AND COMPUTING↗