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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A Probabilistic Reasoner Based on Bayes Risk for Damage Detection in Structural Systems

Structural health monitoring (SHM) systems are used to inform operation of structural systems subject to loads and environments that may affect their integrity. SHM systems rely on continuous monitoring of the structure to determine its health state. These systems are often coupled with a model of the deployed structure to determine the consequences of changes in the system by forecasting the response to future states. These models, which may be thought of as digital twins, need to be updated to reflect the latest state of the structural system. This work makes use of an uncertainty-aware machine learning model that enforces distance preservation of the original input space to determine deviations from the training data input space distributions. This workflow enables domain shift detection to determine whether damage is present in the structure. The uncertainty metrics generated by this network are then used in a Bayes risk framework to design an optimal damage detector given cost and risk considerations. The approach is demonstrated on a computational example with simulated damage.

Najera-Flores, David [ATA Engineering, Inc.]↗
DOE OSTI2020

Subsurface Biogeochemical Research: Watershed System Science for Energy

The Subsurface Biogeochemical Research (SBR) program within the U.S. Department of Energy’s (DOE) Office of Biological and Environmental Research is strategically aligned with DOE’s mission to ensure U.S. security and prosperity through watershed system science. Water resources critical for energy production are under pressure from growing water demand, contamination, drought, flooding, and saltwater intrusion. Sustainable management of watershed systems and their coupling with the built environment rely on understanding the hydrological and biogeochemical processes that control watershed system dynamics and water availability and quality. Next-generation science-based models of watershed systems are needed to address many U.S. energy and environmental challenges, including contaminant cleanup, clean water availability, safe storage of energy and nuclear byproducts in the subsurface, nutrient availability for sustainable biofuel crops, and recovery of subsurface energy resources.

09 BIOMASS FUELS↗
DOE OSTI2021

Asymmetric temperature equilibration with heat flow from cold to hot in a quantum thermodynamic system

A model computational quantum thermodynamic network is constructed with two variable temperature baths coupled by a linker system, with an asymmetry in the coupling of the linker to the two baths. It is found in computational simulations that the baths come to “thermal equilibrium” at different bath energies and temperatures. In a sense, heat is observed to flow from cold to hot. Additionally, a description is given in which a recently defined quantum entropy S univ Q for a pure state “universe” continues to increase after passing through the classical equilibrium point of equal temperatures, reaching a maximum at the asymmetric equilibrium. Thus, a second law account Δ S univ Q ≥ 0 holds for the asymmetric quantum process. In contrast, a von Neumann entropy description fails to uphold the entropy law, with a maximum near when the two temperatures are equal, then a decrease Δ S v N < 0 on the way to the asymmetric equilibrium.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Quantum simulation of bosons with the contracted quantum eigensolver

Abstract Quantum computers are promising tools for simulating many-body quantum systems due to their potential scaling advantage over classical computers. While significant effort has been expended on many-fermion systems, here we simulate a model entangled many-boson system with the contracted quantum eigensolver (CQE). We generalize the CQE to many-boson systems by encoding the bosonic wavefunction on qubits. The CQE provides a compact ansatz for the bosonic wave function whose gradient is proportional to the residual of a contracted Schrödinger equation. We apply the CQE to a bosonic system, where N quantum harmonic oscillators are coupled through a pairwise quadratic repulsion. The model is relevant to the study of coupled vibrations in molecular systems on quantum devices. Results demonstrate the potential efficiency of the CQE in simulating bosonic processes such as molecular vibrations with good accuracy and convergence even in the presence of noise.

Physics↗
DOE OSTI2023

Engineering giant excitonic coupling in bioinspired, covalently bridged BODIPY dyads

Strong excitonic coupling in photosynthetic systems is believed to enable efficient light absorption and quantitative charge separation, motivating the development of artificial multi-chromophore arrays with equally strong or even stronger excitonic coupling. However, large excitonic coupling strengths have typically been accompanied by fast non-radiative recombination, limiting the potential of the arrays for solar energy conversion as well as other applications such as fluorescent labeling. Here, in this work, we report giant excitonic coupling leading to broad optical absorption in bioinspired BODIPY dyads that have high photostability, excited-state lifetimes at the nanosecond scale, and fluorescence quantum yields of nearly 50%. Through the synthesis, spectroscopic characterization, and computational modeling of a series of dyads with different linking moieties, we show that the strongest coupling is obtained with diethynylmaleimide linkers, for which the coupling occurs through space between BODIPY units with small separations and slipped co-facial orientations. Other linkers allow for broad tuning of both the relative through-bond and through-space coupling contributions and the overall strength of interpigment coupling, with a tradeoff observed in general between the strength of the two coupling mechanisms. These findings open the door to the synthesis of molecular systems that function effectively as light-harvesting antennas and as electron donors or acceptors for solar energy conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Assessing Decadal Predictability in an Earth-System Model Using Explainable Neural Networks

We show that explainable neural networks can identify regions of oceanic variability that contribute predictability on decadal timescales in a fully coupled Earth-system model. The neural networks learn to use sea-surface temperature anomalies to predict future continental surface temperature anomalies. We then use a neural-network explainability method called layerwise relevance propagation to infer which oceanic patterns lead to accurate predictions made by the neural networks. In particular, regions within the North Atlantic Ocean and North Pacific Ocean lend the most predictability for surface temperature across continental North America. We apply the proposed methodology to decadal variability, although the concept is generalizable to other timescales of predictability. Furthermore, while our approach focuses on predictable patterns of internal variability within climate models, it should be generalizable to observational data as well. Our study contributes to the growing evidence that explainable neural networks are important tools for advancing geoscientific knowledge.

58 GEOSCIENCES↗
DOE OSTI2022

Velocity dispersions of clusters in the Dark Energy Survey Y3 redMaPPer catalogue

ABSTRACT We measure the velocity dispersions of clusters of galaxies selected by the red-sequence Matched-filter Probabilistic Percolation (redMaPPer) algorithm in the first three years of data from the Dark Energy Survey (DES), allowing us to probe cluster selection and richness estimation, λ, in light of cluster dynamics. Our sample consists of 126 clusters with sufficient spectroscopy for individual velocity dispersion estimates. We examine the correlations between cluster velocity dispersion, richness, X-ray temperature, and luminosity, as well as central galaxy velocity offsets. The velocity dispersion–richness relation exhibits a bimodal distribution. The majority of clusters follow scaling relations between velocity dispersion, richness, and X-ray properties similar to those found for previous samples; however, there is a significant population of clusters with velocity dispersions that are high for their richness. These clusters account for roughly 22 per cent of the λ < 70 systems in our sample, but more than half (55 per cent) of λ < 70 clusters at z > 0.5. A couple of these systems are hot and X-ray bright as expected for massive clusters with richnesses that appear to have been underestimated, but most appear to have high velocity dispersions for their X-ray properties likely due to line-of-sight structure. These results suggest that projection effects contribute significantly to redMaPPer selection, particularly at higher redshifts and lower richnesses. The redMaPPer determined richnesses for the velocity dispersion outliers are consistent with their X-ray properties, but several are X-ray undetected and deeper data are needed to understand their nature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Start-up Optimization Considering Integrated Power Electronic Systems

The startup of systems composed of power electronic systems is becoming more complex. As the systems grow, standard pre-configuration sequencing methods will struggle. This work proposes a linear programming optimization method to couple power electronic systems in a series of startup commands. This formulation is demonstrated in a real-time implementation on hardware.

Starke, Michael↗
DOE OSTI2022

Characterization of Advanced Imaging Systems for High-Resolution and Event-Mode Detection

Post-irradiation examination (PIE) is a continually growing field critical to the development of improved nuclear fuels. To characterize these materials, neutron imaging systems are employed and outfitted with, typically, CMOS or CCD cameras - complementary metal oxide semiconductor sensors and charge-couple devices. Imaging systems are a team-effort between the camera, scintillating materials, and object of interest, as a result of neutrons' inherent need to be converted to a detectable signal. High resolution imaging, flash radiography imaging, and event-mode detection systems are three systems undergoing development, construction, and characterization for improved spatial resolution and time-of-flight detection for PIE efforts.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

A phase-field diffraction model for thermo-hydro-mechanical propagating fractures

This paper introduces a novel diffraction based thermo-hydraulic–mechanical (THM) model for fracture propagation using a phase-field fracture (PFF) approach. The key innovation of the THM-PFF model lies in its integrated treatment of four solution variables—displacements, phase-field, pressure, and temperature—each governed by a combination of conservation of momentum (mechanics problem), a variational inequality (constrained minimization problem), mass conservation (pressure problem), and energy conservation (temperature problem). This leads to a new formulation of a coupled variational inequality system. A major advancement is the development of an extended fixed-stress algorithm, where displacements, phase-field, pressures, and temperatures are solved in a staggered sequence. An important aspect of this work is the global coupling of pressures and temperatures across the domain using diffraction systems, with diffraction coefficients defined by material parameters weighted by the diffusive phase-field variable. To ensure robust local mass conservation, we employ enriched Galerkin finite elements (EG) for both pressure and temperature diffraction equations. By enriching the continuous Galerkin basis functions with discontinuous piecewise constants, EG accurately represents solution and parameter discontinuities while preserving local mass and energy conservation—crucial aspects for THM problems and realistic behavior. Moreover, the use of a predictor–corrector local mesh adaptivity scheme is employed, allowing the model to handle small phase-field length-scale parameters while maintaining high numerical accuracy and reasonable computational cost. Furthermore, these new model and algorithmic developments represent significant advances in the field and have been substantiated through rigorous numerical tests.

Diffraction systems↗
DOE OSTI2022

Development of Land‐River Two‐Way Hydrologic Coupling for Floodplain Inundation in the Energy Exascale Earth System Model

Abstract Floodplain inundation links river and land systems through significant water, sediment, and nutrient exchanges. However, these two‐way interactions between land and river are currently missing in most Earth System Models. In this study, we introduced the two‐way hydrological coupling between the land component, E3SM Land Model, and the river component, Model for Scale Adaptive River Transport, in Energy Exascale Earth System Model (E3SM) to study the impacts of floodplain inundation on land and river processes. We calibrated the river channel geometry and developed a new data‐driven inundation scheme to improve the simulation of inundation dynamics in E3SM. The new inundation scheme captures 96% of the spatial variation of inundation area in a satellite inundation product at global scale, in contrast with 7% when the default inundation scheme of E3SM was used. Global simulations including the new inundation scheme performed at resolution with and without land‐river two‐way coupling was used to quantify the impact of coupling. Comparisons show that two‐way coupling modifies the water and energy cycle in 20% of the global land cells. Specifically, riverine inundation is reduced by two‐way coupling, but inland inundation is intensified. Wetter periods are more impacted by the two‐way coupling at the global scale, while regions with different climates exhibit different sensitivities. The two‐way exchange of water between the land and river components of E3SM provides the foundation for enabling two‐way coupling of land‐river sediment and biogeochemical fluxes. These capabilities will be used to improve understanding of the interactions between water and biogeochemical cycles and their response to human perturbations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Partially polaron-transformed quantum master equation for exciton and charge transport dynamics

Polaron-transformed quantum master equation (PQME) offers a unified framework to describe the dynamics of quantum systems in both limits of weak and strong couplings to environmental degrees of freedom. Thus, the PQME serves as an efficient method to describe charge and exciton transfer/transport dynamics for a broad range of parameters in condensed or complex environments. However, in some cases, the polaron transformation (PT) being employed in the formulation invokes an over-relaxation of slow modes and results in premature suppression of important coherence terms. A formal framework to address this issue is developed in the present work by employing a partial PT that has smaller weights for low frequency bath modes. In this work, it is shown that a closed form expression of a second order time-local PQME including all the inhomogeneous terms can be derived for a general form of partial PT, although more complicated than that for the full PT. All the expressions needed for numerical calculation are derived in detail. Applications to a model of a two-level system coupled to a bath of harmonic oscillators, with test calculations focused on those due to homogeneous relaxation terms, demonstrate the feasibility and the utility of the present approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Wormholes without averaging

After averaging over fermion couplings, SYK has a collective field description that sometimes has “wormhole” solutions. We study the fate of these wormholes when the couplings are fixed. Working mainly in a simple model, we find that the wormhole saddles persist, but that new saddles also appear elsewhere in the integration space — “half-wormholes.” The wormhole contributions depend only weakly on the specific choice of couplings, while the half-wormhole contributions are strongly sensitive. The half-wormholes are crucial for factorization of decoupled systems with fixed couplings, but they vanish after averaging, leaving the non-factorizing wormhole behind.

1/N Expansion↗
DOE OSTI2025

Real-Time Lifetime Prediction of Semiconductor Devices Using Hardware-in-the-Loop

This paper presents a unique approach to enable real-time lifespan prediction of semiconductor power modules using a Hardware-in-the-Loop (HIL) system. By integrating the module's overall loss characteristics-specifically switching and conduction losses-with a thermoelectric model of the thermal management system, this research demonstrates that the model can dynamically estimates the junction temperature profile of the semiconductor devices in response to a changing torque demand profile for the motor drive system. This capability enables continuous monitoring of the module's operational time and cumulative stress induced on the devices to compute accumulated remaining lifetime or time-to-failure (TTF). This study provides an architectural framework for the HIL system with high-fidelity component models of multiple physical domains, allowing simulation of dynamic behaviors of a closely-coupled motor drive system. The advanced real-time computation and measurement functionalities of the HIL system allow for both dynamic lifetime calculations based on simulated data and aggregate lifetime predictions utilizing historical data. Moreover, this paper details an algorithm that not only computes cumulative damage but also synthesizes these data into a comprehensive aggregated lifetime metric. This methodology can enhance the maintenance scheduling strategies and operational reliability of semiconductor devices in critical applications, ultimately extending their service life while optimizing performance.

hardware-in-the-loop (HIL)↗
DOE OSTI2024

Modeling and Analysis of a Heat Pump Clothes Dryer with Thermal Energy Storage

Clothes drying is an energy-intensive process that causes significant electricity consumption and carbon emissions in the US. Approximately 83% of Households in the US own a tumble clothes dryer at home and 80% of dryers are electrical resistance dryers with low energy efficiency. Heat pump technology makes it possible for highly efficient and clean drying. Additionally, the ventless design of heat pump clothes dryers (HPCD) provides more installation flexibility. HPCD involves three primary mediums: wet clothes, a closed air loop, and a refrigerant circuit. The evaporator is used to dehumidify the wet air and the condenser is used to re-heat the dry air. One of the critical technological barriers to HPCD market penetration is its long drying time, primarily due to the relatively low discharging temperature and the slow response during the warm-up period. In this study, the thermal energy storage (TES) technology is adopted to address this challenge by providing pre-heating of air prior to the condenser to increase the operating temperature of the process air. The heat pump will charge the phase change material (PCM) in the TES device with heating energy during clothes washing and the PCM will discharge the stored heat to facilitate air heating during clothes drying. To analyze the optimal design and potential for energy saving and drying time reduction, a mathematical model of the HPCD system was developed. The HPCD is a highly dynamic system with a coupled heat and mass transfer and heat pumping cycle. This paper provides solutions to simulate the transient behavior of the system while maintaining low computational cost. The modeling result indicates reduced energy consumption and drying time by integrating TES with HPCD, as compared to electrical resistance dryers. The study can provide significant insights into improving building flexibility with TES and smart appliances.

Liu, Xiaoli↗
DOE OSTI2021

Dimerization and spin decoupling in a two-leg Heisenberg ladder with frustrated trimer rungs

We study the antiferromagnetic spin-half Heisenberg ladder in the presence of an additional frustrating rung spin which is motivated and relevant also for the description of real two-dimensional materials such as the two-dimensional trimer magnet Ba 4 Ir 3 O 10 . We study the zero-temperature phase diagram, where we combine numerical and analytical methods into an overall consistent description. All numerical simulations are also accompanied by studies of the dynamical spin structure factor obtained via the density matrix renormalization group. Overall, we find in the regime of strong rung coupling a gapped dimerized phase related to competing symmetry sectors in Hilbert space that ultimately results in frustration-driven spin-Peierls transition. In the weak rung-coupling regime, the system is uniform, yet shows a gapped spinon continuum together with a sharp coherent low-energy branch which renders the system critical overall. In either case, the additional rung spin quickly get sidelined and nearly decouple in the regime when their bare coupling to the ladder is weakened

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Air‐Ice‐Ocean Coupling During a Strong Mid‐Winter Cyclone: Observing Coupled Dynamic Interactions Across Scales

Abstract Arctic cyclones are key drivers of sea ice and ocean variability. During the 2019–2020 Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition, joint observations of the coupled air‐ice‐ocean system were collected at multiple spatial scales. Here, we present observations of a strong mid‐winter cyclone that impacted the MOSAiC site as it drifted in the central Arctic pack ice. The sea ice dynamical response showed spatial structure at the scale of the evolving and translating cyclonic wind field. Internal ice stress and ocean stress play significant roles, resulting in timing offsets between the atmospheric forcing and the ice response and post‐cyclone inertial ringing in the ice and ocean. Ice motion in response to the wind field then forces the upper ocean currents through frictional drag. The strongest impacts to the sea ice and ocean from the passing cyclone occur as a result of the surface impacts of a strong atmospheric low‐level jet (LLJ) behind the trailing cold front and changing wind directions between the warm‐sector LLJ and post cold‐frontal LLJ. Impacts of the cyclone are prolonged through the coupled ice‐ocean inertial response. Local impacts of the approximately 120 km wide LLJ occur over a 12 hr period or less and at scales of a kilometer to a few tens of kilometers, meaning that these impacts occur at combined smaller spatial scales and faster time scales than most satellite observations and coupled Earth system models can resolve.

Meteorology & Atmospheric Sciences↗
DOE OSTI2021

Quantum Engineering With Hybrid Magnonic Systems and Materials (Invited Paper)

Quantum technology has made tremendous strides over the past two decades with remarkable advances in materials engineering, circuit design and dynamic operation. In particular, the integration of different quantum modules has benefited from hybrid quantum systems, which provide an important pathway for harnessing the different natural advantages of complementary quantum systems and for engineering new functionalities. This review focuses on the current frontiers with respect to utilizing magnetic excitations or magnons for novel quantum functionality. Magnons are the fundamental excitations of magnetically ordered solid-state materials and provide great tunability and exibility for interacting with various quantum modules for integration in diverse quantum systems. The concomitant rich variety of physics and material selections enable exploration of novel quantum phenomena in materials science and engineering. In addition, the relative ease of generating strong coupling and forming hybrid dynamic systems with other excitations makes hybrid magnonics a unique platform for quantum engineering. We start our discussion with circuit-based hybrid magnonic systems, which are coupled with microwave photons and acoustic phonons. Subsequently, we are focusing on the recent progress of magnon-magnon coupling within confined magnetic systems. Next we highlight new opportunities for understanding the interactions between magnons and nitrogen-vacancy centers for quantum sensing and implementing quantum interconnects. Lastly, we focus on the spin excitations and magnon spectra of novel quantum materials investigated with advanced optical characterization.

42 ENGINEERING↗