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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A hybrid optoelectronic Mott insulator

The coupling of electronic degrees of freedom in materials to create “hybridized functionalities” is a holy grail of modern condensed matter physics that may produce versatile mechanisms of control. Correlated electron systems often exhibit coupled degrees of freedom with a high degree of tunability which sometimes lead to hybridized functionalities based on external stimuli. However, the mechanisms of tunability and the sensitivity to external stimuli are determined by intrinsic material properties which are not always controllable. A Mott metal-insulator transition (MIT) is technologically attractive due to the large changes in resistance, tunable by doping, strain, electric fields, and orbital occupancy but not, in and of itself, controllable with light. Here, an alternate approach is presented to produce optical functionalities using a properly engineered photoconductor/strongly correlated hybrid heterostructure. This approach combines a photoconductor, which does not exhibit an MIT, with a strongly correlated oxide, which is not photoconducting. Due to the intimate proximity between the two materials, the heterostructure exhibits giant volatile and nonvolatile, photoinduced resistivity changes with substantial shifts in the MIT transition temperatures. This approach can be extended to other judicious combinations of strongly correlated materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Performance of wave function and Green's function methods for non-equilibrium many-body dynamics

Theoretical descriptions of the non-equilibrium dynamics of quantum many-body systems essentially employ either (i) explicit treatments, relying on the truncation of the expansion of the many-body wave function, (ii) compressed representations of the many-body wave function, or (iii) evolution of an effective (downfolded) representation through Green's functions. In this work, we select representative cases of each of the methods and address how these complementary approaches capture the dynamics driven by intense field perturbations to non-equilibrium states. Under strong driving, the systems are characterized by strong entanglement of the single-particle density matrix and natural populations approaching those of a strongly interacting equilibrium system. We generate a representative set of results that are numerically exact and form a basis for a critical comparison of the distinct families of methods. We demonstrate that the compressed formulation based on similarity-transformed Hamiltonians (coupled-cluster approach) is practically exact in weak fields and, hence, weakly or moderately correlated systems. Coupled cluster, however, struggles for strong driving fields, under which the system exhibits strongly correlated behavior, as measured by the von Neumann entropy of the single-particle density matrix. The dynamics predicted by Green's functions in the (widely popular) G W approximation are less accurate, but improve significantly upon the mean-field results in the strongly driven regime. Published by the American Physical Society 2025

Reeves, Cian C. (ORCID:0009000642581845)↗
DOE OSTI2025

Tuning magneto-optical zero reflection via dual-channel hybrid magnonics

Multichannel coupling in hybrid systems makes an attractive testbed not only because of the distinct advantages entailed by each constituent mode but also because the opportunity to leverage interference among the various excitation pathways. Here, via combined analytical calculation and experiment, we demonstrate that the phase of the magnetization precession at the interface of a coupled yttrium iron garnet (YIG)/permalloy (Py) bilayer is collectively controlled by the microwave photon field torque and the interlayer exchange torque, manifesting a coherent, dual-channel excitation scheme that effectively tunes the magneto-optical spectrum. Furthermore, the different torque contributions vary with frequency, external bias field, and type of interlayer coupling between YIG and Py, which further results in destructive or constructive interferences between the two excitation channels, and hence selective suppression or amplification of the hybridized magnon modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Fabrication Development for SPT-SLIM, a Superconducting Spectrometer for Line Intensity Mapping

Line Intensity Mapping (LIM) is a new observational technique that uses low-resolution observations of line emission to efficiently trace the large-scale structure of the Universe out to high redshift. Common mm/sub-mm emission lines are accessible from ground-based observatories, and the requirements on the detectors for LIM at mm-wavelengths are well matched to the capabilities of large-format arrays of superconducting sensors. We describe the development of an R = lambda/Delta lambda = 300 on-chip superconducting filter-bank spectrometer covering the 120-180 GHz band for future mm-LIM experiments, focusing on SPT-SLIM, a pathfinder LIM instrument for the South Pole Telescope. Radiation is coupled from the telescope optical system to the spectrometer chip via an array of feedhorn-coupled orthomode transducers. Superconducting microstrip transmission lines then carry the signal to an array of channelizing half-wavelength resonators, and the output of each spectral channel is sensed by a lumped element kinetic inductance detector (leKID). Key areas of development include incorporating new low-loss dielectrics to improve both the achievable spectral resolution and optical efficiency and development of a robust fabrication process to create a galvanic connection between ultra-pure superconducting thin-films to realize multi-material (hybrid) leKIDs. We provide an overview of the spectrometer design, fabrication process, and prototype devices.

microstrip resonators↗
DOE OSTI2024

Protecting backaction-evading measurements from parametric instability

Noiseless measurement of a single quadrature in systems of parametrically coupled oscillators is theoretically possible by pumping at the sum and difference frequencies of the two oscillators, realizing a backaction-evading (BAE) scheme. Although this would hold true in the simplest scenario for a system with pure three-wave mixing, implementations of this scheme are hindered by unwanted higher-order parametric processes that destabilize the system and add noise. We show analytically that detuning the two pumps from the sum and difference frequencies can stabilize the system and fully recover the BAE performance, enabling operation at otherwise inaccessible cooperativities. We also show that the acceleration demonstrated in a weak-signal-detection experiment [Jiang , PRX Quantum 4, 020302 (2023)] was only achievable because of this detuning technique.

Ruddy, E. P.↗
DOE OSTI2026

An upgraded frequency-selectable laser source (FLS) calibrator for CMB bandpass characterization

One of the biggest challenges for Cosmic Microwave Background (CMB) experiments comes from the uncertainty in instrument bandpass calibration. Uncertainties in bandpass can limit foreground removal and spectral fitting, which are critical for inflationary and galaxy cluster measurements. CMB experiments currently use Fourier Transform Spectrometers (FTSes) to measure instrument bandpasses. However, FTS systems are currently systematics-limited, so significant improvements in bandpass measurements require novel calibrators. To this end, we developed a Frequency-selectable Laser Source (FLS) calibrator, which uses a laser with adjustable frequency coupled to a system that allows for laser power attenuation. Following initial testing with the first FLS prototype, we developed an upgraded version of the calibrator with improved performance. We present the upgrades to the FLS calibrator, the characterization of the upgraded calibrator and new laser source, and plans for testing with microwave instruments in the field.

Saunders, Lauren J. [Fermilab] (ORCID:000000016367↗
DOE OSTI2020

Attribution of NAO Predictive Skill Beyond 2 Weeks in Boreal Winter

Weeks 3–6 averaged winter North Atlantic Oscillation (NAO) predictive skill in a state-of-the-art coupled climate prediction system is attributed to two principle sources: upper and lower boundary conditions linked to the stratosphere and El Niño-Southern Oscillation (ENSO), respectively. A 20-member ensemble of 45-day reforecasts over 1999–2015 is utilized, together with uninitialized simulations with the atmospheric component of the prediction system forced with observed radiative forcing and lower boundary conditions. NAO forecast skill for lead times out to 6 weeks is higher following extreme stratospheric polar vortex conditions (weak and strong vortex events) compared to neutral states. Enhanced weeks 3-6 NAO predictive skill for weak vortex events results primarily from stratospheric downward coupling to the troposphere, while enhanced skill for strong vortex events can be partly attributed to lower boundary forcing related to the ENSO phenomenon. Implications for forecast system development and improvement are discussed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Coupling subsurface and above-surface models for optimizing the design of borefields and district heating and cooling systems in the presence of varying water-table depth. In: Proceedings, 46th Workshop on Geothermal Reservoir Engineering

Dynamic energy simulation is important for the design and sizing of district heating and cooling systems with geothermal heat exchange. Current modeling approaches in building and district energy simulation tools typically consider heat conduction through the ground between boreholes, without flow of groundwater. On the other hand, detailed simulation tools for subsurface heat and mass transfer exist, but these fall short in simulating above-surface energy systems. To support the design and operation of such systems, we have developed a coupled model including a software package for building and district energy simulation, and software for detailed heat and mass transfer in the ground. For the first, we use the open-source Modelica Buildings Library, which includes dynamic simulation models for building and district energy and control systems. For the heat and mass transfer in the soil, we use the TOUGH simulator. TOUGH can model heat and multi-phase, multi-component mass transport for a variety of fluid systems, as well as chemical reactions, in fractured porous media. In previous work, we described the coupling of these software packages, including how time-dependent boundary conditions for the borehole walls are synchronized for use in Modelica and TOUGH. We verified that the coupled Modelica/TOUGH code produced consistent results with the original Modelica code for an idealized problem in which heat transfer was purely by conduction in a uniform geologic medium. Here, we examine less idealized problems for which TOUGH’s advanced capabilities for modeling fluid flow are required. The first problem has a shallow vadose zone, and the second problem has a thicker vadose zone with a water-table depth that varies in time, which requires a fine vertical grid discretization for the TOUGH model.

Doughtry, Christine↗
DOE OSTI2024

Decoupling excitons from high-frequency vibrations in organic molecules

The coupling of excitons in π-conjugated molecules to high-frequency vibrational modes, particularly carbon–carbon stretch modes (1,000–1,600 cm -1 ) has been thought to be unavoidable. These high-frequency modes accelerate non-radiative losses and limit the performance of light-emitting diodes, fluorescent biomarkers and photovoltaic devices. Here, by combining broadband impulsive vibrational spectroscopy, first-principles modelling and synthetic chemistry, we explore exciton–vibration coupling in a range of π-conjugated molecules. We uncover two design rules that decouple excitons from high-frequency vibrations. First, when the exciton wavefunction has a substantial charge-transfer character with spatially disjoint electron and hole densities, we find that high-frequency modes can be localized to either the donor or acceptor moiety, so that they do not significantly perturb the exciton energy or its spatial distribution. Second, it is possible to select materials such that the participating molecular orbitals have a symmetry-imposed non-bonding character and are, thus, decoupled from the high-frequency vibrational modes that modulate the π-bond order. We exemplify both these design rules by creating a series of spin radical systems that have very efficient near-infrared emission (680–800 nm) from charge-transfer excitons. We show that these systems have substantial coupling to vibrational modes only below 250 cm -1 , frequencies that are too low to allow fast non-radiative decay. This enables non-radiative decay rates to be suppressed by nearly two orders of magnitude in comparison to π-conjugated molecules with similar bandgaps. Our results show that losses due to coupling to high-frequency modes need not be a fundamental property of these systems.

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

Assessing the physical potential capacity of direct air capture with integrated supply of low-carbon energy sources

Direct Air Capture (DAC) is a negative emission technology that can remove up to 10–20 Gt of CO 2 per year. However, to achieve this potential, DAC systems must be coupled to suitable locally available energy sources and sited near geological storage. Here this study explores the potential of low-carbon energy sources to supply power and heat to the DAC process in a dedicated, self-sufficient system tailored for each energy source. Solar, geothermal, woody biomass, wind, and nuclear energy sources are assessed for their global energy supply potential and possible land use requirements. While the options differ in area requirement and regional efficacy, we estimate that all the regionally specific technologies considered can supply energy to achieve significant removal of carbon dioxide from the atmosphere globally. The amount of energy physically available from solar, offshore wind, and woody biomass converts to a removal potential of 160–971, 45–150, and 2–5 Gt CO 2 /year, respectively. Thus, negative emission targets can be reached by utilizing a moderate fraction of the overall potential of several different low-carbon energy sources for DAC while the magnitude of the potential changes significantly according to the source of energy.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

ARIES/Flatirons Facility - Hydrogen System Capability Buildout

Under the Advanced Research for Integrated Energy Systems (ARIES) initiative, NREL will build out hydrogen system capabilities at the Flatirons campus. The hydrogen infrastructure at the Flatirons campus will include a research-ready megawatt-scale electrolyzer with hydrogen compression and storage, and a fuel cell system. This hardware will support H2@Scale goals by enabling integrated systems R&D (e.g., to demonstrate grid services, energy storage, renewable hydrogen production, and innovative end-use applications). The system will be coupled with the controllable grid interface at the Flatirons campus and will be designed with flexibility to provide a testbed for integrated electrolyzer R&D, hydrogen utilization R&D, and to study the science of scaling for hydrogen energy systems.

39 EE - Hydrogen and Fuel Cell Technologies (EE-3F↗
DOE OSTI2026

Root Dynamics Mitigate Warm and Dry Biases over the Central United States

The central United States frequently exhibits warm and dry biases in simulations of summertime conditions, a persistent feature that remains unresolved. While previous studies linked these biases to misrepresented surface energy exchanges, the role of belowground processes remains poorly understood. Here, we demonstrate that inadequate representation of root water uptake in land surface models contributes to this bias. Using both offline Noah-MP and coupled WRF-Noah-MP simulations with static and dynamic root water uptake schemes, we show that the inclusion of dynamic root processes reduces 2-m air temperature biases and enhances precipitation, primarily by increasing the rain rate of convective systems. Offline and coupled simulations further reveal that the cooling effects and precipitation increases are amplified through positive land-atmosphere feedback, active only in the coupled model. These findings highlight an important role of root in modulating land-atmosphere interactions and underscore the need to refine root-zone processes to improve regional atmospheric simulations.

Yang, Zhao (ORCID:0000000288027130)↗
DOE OSTI2024

Hybridized magnonic materials for THz frequency applications

The capability of magnons to hybridize and strongly couple with diverse excitations offers a promising avenue for realizing and controlling emergent properties that hold significant potential for applications in devices, circuits, and information processing. In this Letter, we present recent theoretical and experimental developments in magnon-based hybrid systems, focusing on the combination of magnon excitation in an antiferromagnet with other excitations, namely, plasmons in a topological insulator, phonons in a 2D antiferromagnetic (2D AFM), and photons. Here, the existence of THz frequency magnons, plasmons, and phonons makes magnon-based hybrid systems particularly appealing for high-operating-speed devices. In this context, we explore several directions to advance magnon hybrid systems, including strong coupling between a surface plasmon and magnon polariton in a topological insulator /AFM bilayer, a giant spin Nernst effect induced by magnon–phonon coupling in 2D AFMs, and control of magnon–photon coupling using spin torque.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Synergy and antagonism in a genome-scale model of metabolic hijacking by bacteriophages

Bacteriophage auxiliary metabolic genes (AMGs) alter host metabolism by hijacking reactions, but previous studies mostly inferred their roles from annotations, ignoring system-wide impacts and phage production. Here we integrate AMGs and phage assembly into a genome-scale metabolic model of Prochloroccocus marinus MED4 infected by P-HM2. We show that 17 directly hijacked reactions substantially affect more than 30% of the reactions in MED4 metabolism, including carbon fixation, photosynthesis, and nucleotide synthesis, distinguishing these AMGs as either phage aligned—shifting feasible reaction velocities in accordance with maximal phage production—or phage antialigned. Pareto optimization reveals that phage-aligned reactions alter phage-host growth trade-offs, while phage-antialigned reactions do not. We experimentally validate our predictions of system-level AMG impacts by measuring the N-dependent effect of P-HM2 cp12 expression on growth in a model relative of the genetically intractable MED4, Synechococcus elongatus. We also show that AMGs’ indirect impacts are synergistically and antagonistically coupled, providing systems-level insight into AMG perturbations and highlighting how nontrivial cascading effects shape host metabolism.

Rozum, Jordan C. [Pacific Northwest National Labor↗
DOE OSTI2020

Optimization of Energy Flow through Synthetic Metabolic Modules and Regulatory Networks in a Model Photosynthetic Eukaryotic Microbe

Photosynthetic organisms have recently gained considerable attention for a role in development of renewable energy sources. Genome-enabled systems biology methods, coupled with functional and synthetic genomics, present opportunities to develop sustainable and economical applications such as fuel production within the next 10 to 15 years. However, optimization of light-driven metabolism for biomass or biofuel production will require a detailed systems biology understanding of photosynthetic processes and cellular metabolism. Genome-scale metabolic models (GEMs) are at the core of systems analysis of cellular processes and form a common organizational framework for analyses of data resulting from functional genomics experimental work and computational studies. Therefore, there is a clear demand for high quality photosynthetic model organisms and the appropriate computational tools that enable systems analysis of light-driven metabolism. Through research conducted we expanded the currently available repertoire of photosynthetic GEMs to include the commercially valuable model diatom Phaeoctylum tricornutum. Diatoms have a peculiar and distinct evolutionary footprint and represent a major eukaryotic lineage that is taxonomically and functionally distinct from green and red algae and vascular plants. Therefore, the true potential for light-driven metabolism aimed at biofuel production remains poorly understood at a systems level for a large subset of the global diversity of photosynthetic organisms. The metabolic capabilities of P. tricornutum were comparatively modeled with those from other photosynthetic groups in order to elucidate the occurrence of metabolic traits within and between phototrophs. Additionally, this research resulted in significant extension of the COnstraints Based Reconstruction and Analysis (COBRA) Toolbox to accommodate the crucial need for infrastructure required for ‘omics data integration and analysis in the context of genome-scale models. Therefore, the proposed research achieved two important goals. First, within the broad scope of photosynthetic organisms, we functionally compared and, as a result, identified cellular processes that require optimization in order to enable deployment as biofuel feedstock. Second, the proposed research resulted in development of key computational infrastructure, which can be further extended to other biological systems, that is currently lacking but necessary for multiple ‘omics data integration.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Ensemble Spread Behavior in Coupled Climate Models: Insights From the Energy Exascale Earth System Model Version 1 Large Ensemble

AbstractAssessing uncertainty in future climate projections requires understanding both internal climate variability and external forcing. For this reason, single‐model initial condition large ensembles (SMILEs) run with Earth System Models (ESMs) have recently become popular. Here we present a new 20‐member SMILE with the Energy Exascale Earth System Model version 1 (E3SMv1‐LE), which uses a “macro” initialization strategy choosing coupled atmosphere/ocean states based on inter‐basin contrasts in ocean heat content (OHC). The E3SMv1‐LE simulates tropical climate variability well, albeit with a muted warming trend over the twentieth century due to overly strong aerosol forcing. The E3SMv1‐LE's initial climate spread is comparable to other (larger) SMILEs, suggesting that maximizing inter‐basin ocean heat contrasts may be an efficient method of generating ensemble spread. We also compare different ensemble spread across multiple SMILEs, using surface air temperature and OHC. The Community Earth system Model version 1, the only ensemble which utilizes a “micro” initialization approach perturbing only atmospheric initial conditions, yields lower spread in the first ∼30 years. The E3SMv1‐LE exhibits a relatively large spread, with some evidence for anthropogenic forcing influencing spread in the late twentieth century. However, systematic effects of differing “macro” initialization strategies are difficult to detect, possibly resulting from differing model physics or responses to external forcing. Notably, the method of standardizing results affects ensemble spread: control simulations for most models have either large background trends or multi‐centennial variability in OHC. This spurious disequlibrium behavior is a substantial roadblock to understanding both internal climate variability and its response to forcing.

Stevenson, Samantha↗
DOE OSTI2023

Multirate partitioned Runge–Kutta methods for coupled Navier–Stokes equations

Earth system models are complex integrated models of atmosphere, ocean, sea ice, and land surface. Coupling the components can be a significant challenge due to the difference in physics, temporal, and spatial scales. Further, this study explores multirate partitioned Runge-Kutta methods for the fluid-fluid interaction problem and demonstrates its parallel performance by using the PETSc library. We consider compressible Navier-Stokes equations with gravity coupled through a rigid-lid interface. Our large-scale numerical experiments reveal that multirate partitioned Runge-Kutta coupling schemes (1) can conserve total mass; (2) have second-order accuracy in time; and (3) provide favorable strong- and weak-scaling performance on modern computing architectures. We also show that the speedup factors of multirate partitioned Runge-Kutta methods match theoretical expectations over their base (single-rate) method.

54 ENVIRONMENTAL SCIENCES↗