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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Technical Impacts of Light-Duty and Heavy-Duty Transportation Electrification on a Coordinated Transmission and Distribution System

In this study, we propose a strategy to model the required spatiotemporal charging demand from light-duty (LD) and medium- and heavy-duty (MHD) electric vehicles (EVs) using actual transportation data by mapping the demand for the required EV charging to a realistic and coordinated distribution and transmission electric grid at the predicted times of the day to study their impact on the power system in a variety of load, weather, and EV penetration scenarios. This work is the first study that includes the actual weather data and transportation data with realistic and coordinated distribution and transmission grid data in a large industry-scale level study. The main goal of this study is to identify possible issues and required upgrades in the electric grid, caused by an increase in EV integration. The transmission case study is a large grid with 6717 buses over a Texas footprint, and the distribution grid is over Houston, a city in Texas, covering over three million customers. The resulting overloads and voltage violations experienced in the system are discussed, and required planning upgrades to avoid these issues are suggested.

AC optimal power flow (AC-OPF)↗
DOE OSTI2024

Open-closed string duality, branes, and topological recursion

We consider matrix models exhibiting open-closed string duality in two-dimensional string theories with various amounts of supersymmetry. In particular, a relationship between matrix models in the β = 2 Wigner-Dyson class and models in the (1 + 2Γ, 2) Altland-Zirnbauer class relates the perturbative solutions of the two systems’ string equations. Point-like operator insertions in the closed string theory are mapped to the topological expansion of the free energy in the open string theory. We compute correlation functions of macroscopic loop operators and FZZT branes in a general topological gravity background. The relationship between the topological recursion of moduli space volumes and branes is discussed by analyzing the Virasoro conditions in the matrix models.

2D Gravity↗
DOE OSTI2026

Emergence of vorticity and viscous stress in finite-scale quantum hydrodynamics

The Madelung equations offer a hydrodynamic description of quantum systems, from single particles to quantum fluids. In this formulation, the probability density is mapped onto the fluid density and the phase is treated as a scalar potential generating the velocity field. As examples of potential flows, quantum fluids described in this way are inherently irrotational, but quantum vortices may arise at discrete points where the phase is undefined. In this paper, starting from this irrotational description of a quantum fluid, a coarse-graining procedure is applied to arrive at a macroscopic description of the quantum fluid in terms of a hierarchy of moments in which the role of velocity is played by a Favre average of the microscopic velocity field. This hierarchy is truncated using an explicit closure derived from an expansion in a finite length scale. The resulting coarse-grained fields are shown to allow for finite vorticity at any point in the fluid. Additionally, it is shown that this vorticity obeys a similar equation to the vorticity equation in classical hydrodynamics and includes a vortex-stretching term. The particular closure employed here also gives rise to a novel stress term in the fluid equations, which in the appropriate limit appears analogous to an artificial viscous stress from computational fluid dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Designing robust energy policy packages under deep uncertainty: A multi-metric decision support framework

The complexity of transitioning to sustainable energy systems requires policy frameworks capable of balancing multiple objectives while addressing deep uncertainty. However, existing approaches often lack systematic methods to identify combinations of policy levers that remain effective across a wide range of uncertain futures. This paper presents a novel decision support framework that guides the selection of robust policy packages based on their performance across multiple objectives under uncertainty. Our method leverages a large ensemble of scenarios and applies scenario discovery techniques to identify influential policy levers. Here, we introduce new indicators to assess the robustness of policies by evaluating their ability to mitigate adverse outcomes across metrics. These indicators support an iterative process to build a robust policy package. Finally, we map the technological and energy pathways associated with the robust policy package by leveraging an energy system optimization model. We illustrate the application of this framework to the Spanish energy system, providing insights into how specific combinations of policy levers shape decarbonization pathways under uncertainty.

Decision-support method↗
DOE OSTI2024

Accelerating Thermochemical Equilibrium Calculations for Nuclear Reactor Applications

Thermochemical properties play a key role in modeling and simulation of several key phenomena in nuclear reactors. There has been an increasing interest in incorporating CALPHAD-based formulations in multiphysics simulations including for Molten Salt Reactors where knowledge of phase evolution of the salt and the chemical potentials of various elements are of utmost importance in source term analyses and redox control. However, the size of such simulations is often limited by the high computational cost of full thermodynamic equilibrium calculations. This work discusses the current efforts aimed at accelerating thermochemical equilibrium calculations for multiphysics simulations performed using the open-source finite element / finite volume code Multiphysics Object Oriented Simulation Environment (MOOSE) [1]. While several methods have been proposed for accelerating phase equilibrium calculations [2], most focus on relatively small systems and often rely on a- priori knowledge of the state-space of the system. Nuclear materials, however, are often multi-component systems owing to the evolution of composition under irradiation and an approach based on a-priori mapping of phase diagram is often not enough. This work is aimed at demonstrating an on-the-fly surrogate modeling framework that uses active learning to reduce the number of full equilibrium calculations that must be performed. By combining with efficient coupling approaches, the surrogate framework helps in reducing the computational cost of thermodynamic equilibrium informed multiphysics simulations of nuclear materials. The performance is benchmarked against full coupling with the thermochemistry library Thermochimica [3]. This work uses a machine learning based approach for constructing surrogate models to predict the stable phases in a multicomponent system. The surrogates were constructed using neural networks and Gaussian process classification. In this work, we compare the relative performance of the two methods. We also demonstrate the use of caching previous calculations by interpolating the values from nearest neighbors. References [1] Lindsay, A.D., et al. "2.0 – MOOSE: Enabling massively parallel multiphysics simulation", SoftwareX, 20 (2022): 101202. [2] Roos, W.A. and Zietsman J.H. "Accelerating complex chemical equilibrium calculations – A Review", Calphad, 77 (2022): 102380. [3] Piro, M.H.A., et al. "The thermochemistry library Thermochimica", Computational Materials Science, 67 (2013): 266-272.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Digital quantum simulation of cavity quantum electrodynamics: insights from superconducting and trapped ion quantum testbeds

We explore the potential for hybrid development of quantum hardware where currently available quantum computers simulate open cavity quantum electrodynamical (CQED) systems for applications in optical quantum communication, simulation and computing. Our simulations make use of a recent quantum algorithm that maps the dynamics of a singly excited open Tavis–Cummings model containing N atoms coupled to a lossy cavity. We report the results of executing this algorithm on two noisy intermediate-scale quantum computers: a superconducting processor and a trapped ion processor, to simulate the population dynamics of an open CQED system featuring N = 3 atoms. By applying technology-specific transpilation and error mitigation techniques, we minimize the impact of gate errors, noise, and decoherence in each hardware platform, obtaining results which agree closely with the exact solution of the system. These results can be used as a recipe for efficient and platform-specific quantum simulation of cavity–emitter systems on contemporary and future quantum computers.

cavity QED↗
DOE OSTI2025

University of Hawai‘i, Shallow Geothermal Resources: Energy Technology Innovation Partnership Project (Final Report)

Scientists at Lawrence Berkeley National Laboratory (Berkeley Lab) have teamed up with the University of Hawai‘i at Manoa (UH Manoa) through the U.S. Department of Energy’s Energy Technology Innovation Partnership Project to evaluate the technological and market feasibility of shallow geothermal heat exchanger (GHE) technology. UH requested this analysis to evaluate opportunities in building cooling, energy efficiency, and emissions reduction applications in Hawai‘i. UH has an abundance of geologic and geothermal data and is looking to the national labs’ expertise to execute this analysis. UH is also interested in investigating policy, regulatory, and business conditions advantageous for implementation of a pilot project and more broad deployment of this technology in Hawai‘i. In many locations around the world, the demands for heating and cooling are roughly balanced over the course of the year, so GHEs do not cause significant long-term changes in subsurface temperature. This is not the case in Hawai’i, where the demand for heating is very small, meaning that, over time, GHEs will add heat to the subsurface. If temperatures increase significantly, GHE systems will not work as designed. Regional groundwater flow has the potential to sweep heated water away from boreholes, thereby maintaining the functionality of the GHE system. Significant regional groundwater flow requires two things: a sufficiently large driving hydraulic head gradient (usually closely related to surface topography), and sufficient porosity and permeability to enable groundwater to flow in large enough quantities to enable near-borehole temperatures to be maintained at ambient values. Hawai‘i’s volcanic terrain offers ample surface topographic variation. The lava itself shows an extremely large range of porosity and permeability, so sites with large enough values of these properties must be selected. Numerical modeling of coupled groundwater and heat flow can be used to determine how large is large enough. Primarily, closed-loop systems have been investigated. Other options considered are open-loop systems and using cool seawater as the chilling source. Project work investigated the feasibility of GHE technology at two scales. At the island scale, GIS layers of various attributes relevant for GHE were combined to develop an overall favorability map for employing GHE in Hawai‘i. At the local scale, a hydrogeologic model for the subsurface component of a closed-loop system was developed for the Stan Sheriff Center at the UH Manoa campus. This site is considered promising because the rock below and immediately downgradient of the borefield is highly permeable, consisting of a subsurface karst system (limestone containing high-permeability open channels), which is underlain by a thick, high-permeability fractured basalt. Moreover, the site is near the base of the Ko‘olau Range, providing a large hydraulic head gradient. Thus, groundwater flow through the site is expected to be large, enabling efficient removal of heated groundwater. A full-GHE-system model of the site was also developed, with a simplified representation of the subsurface, in which groundwater flow is not considered and heat transfer is purely by conduction. Using the building cooling load data provided by UH, simulation results show that with groundwater flow present, a GHE can operate successfully for at least 10 years, but with no groundwater flow, the subsurface begins to heat up after only one year of operation, making the GHE unviable within 2-6 years. The team also developed a techno-economic model for this site to compare the cost of cooling using a GHE system with the costs of operating the current air-conditioning system. The GHE system is advantageous economically if favorable tax incentives and interest rates can be obtained.

15 GEOTHERMAL ENERGY↗
DOE OSTI2026

Visualizing electronic structure of twisted bilayer MoTe 2 in devices

The pursuit of emergent quantum phenomena lies at the forefront of modern condensed matter physics. A recent breakthrough in this arena is the discovery of the fractional quantum anomalous Hall effect (FQAHE) in twisted bilayer MoTe₂ (tbMoTe₂), marking a paradigm shift and establishing a versatile platform for exploring the intricate interplay among topology, magnetism, and electron correlations. While significant progress has been made through both optical and electrical transport measurements, direct experimental insights into the electronic structure – crucial for understanding and modeling this system – have remained elusive. Here, using spatially and angle-resolved photoemission spectroscopy (μ-ARPES), we directly map the electronic band structure of tbMoTe₂. We identify the valence band maximum, whose partial filling underlies the FQAHE, at the K points, situated approximately 150 meV above the Γ valley. By fine-tuning the doping level via in-situ alkali metal deposition, we also resolve the conduction band minimum at the K point, providing direct evidence that tbMoTe₂ exhibits a direct band gap – distinct from all previously known moiré bilayer transition metal dichalcogenide systems. These results offer critical insights for theoretical modeling and advance our understanding of fractionalized excitations and correlated topological phases in this emergent quantum material.

Chen, Cheng [Univ. of Oxford (United Kingdom)]↗
DOE OSTI2025

Mapping of lanthanide-tagged proteins on western blot paper using microextraction-inductively coupled plasma-mass spectrometry

A microextraction (ME) sampling system, paired with inductively coupled plasma-mass spectrometry (ICP-MS), was employed to spatially analyze proteins tagged with lanthanum (La), gadolinium (Gd), or terbium (Tb) on the surface of western blot paper. The proteins were covalently tagged, separated via gel electrophoresis, and transferred to western blot paper for analysis by ME-ICP-MS. The ME-ICP-MS method enables the direct sampling of the tagged species on the western blot paper, without any sample preparation. Traditionally, the tagged analyte would need to be stained, excised, and digested to be analyzed by ICP-MS for its elemental and isotopic characterization. Preliminary detection limits for the ME-ICP-MS method applied to western blot paper were established to be 564, 54, and 2.5 fg for La, Gd, and Tb, respectively. The developed ME-ICP-MS method was compared to laser ablation (LA) ICP-MS, another direct solid sampling technique; it was readily determined that ME-ICP-MS can effectively map the elemental constituents on the western blot paper with comparable analysis time and measurement sensitivity. The analysis time per 2 × 4 mm extraction is ∼1 minute; if protein spots are directly targeted (rather than systematically mapping the entire blot paper), the analysis time per protein spot is ∼1 min. This developed method proved to be fast, effective, and accessible for correlating protein molecular weight with the detection of the inorganic tagant. The ME-ICP-MS approach could be widely applicable in research areas that involve metal-tagged protein bioconjugates, such as in the development of diagnostic and therapeutic agents and other biochemical probes.

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

Clusters of Regional Precipitation Seasonality Change in the Community Earth System Model, Version 2

Abstract The likely changes to precipitation seasonality with warming are both impactful and not well understood. This work aims to describe areas that experience similar changes to seasonal precipitation irrespective of the original underlying precipitation seasonality. We train a self-organizing map on the difference between the seasonal cycle of precipitation in the past and in a high-warming future climate as represented by the Community Earth System Model, version 2, to create regions with similar changes in precipitation seasonality. This method is applied separately over land and ocean surfaces because of the differing processes leading to precipitation over each. This method indicates that future changes in seasonal precipitation are most varied in the tropics because of a southward shift in the intertropical convergence zone. The seasonal shifts found over midlatitude oceans indicate a poleward shift in atmospheric river activity. We find a correspondence between certain land-based precipitation changes and Köppen climate classification. The seasonality of large-scale and convective precipitation is examined for each region. The relationship between the seasonal changes to precipitation and associated atmospheric processes is discussed. These processes include atmospheric rivers, the intertropical convergence zone, tropical cyclones, and monsoons.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

LoVoCCS. II. Weak Lensing Mass Distributions, Red-sequence Galaxy Distributions, and Their Alignment with the Brightest Cluster Galaxy in 58 Nearby X-Ray-luminous Galaxy Clusters

The Local Volume Complete Cluster Survey is an ongoing program to observe nearly a hundred low-redshift X-ray-luminous galaxy clusters (redshifts 0.03 < z < 0.12 and X-ray luminosities in the 0.1–2.4 keV band L X500c > 10 44 erg s −1 ) with the Dark Energy Camera, capturing data in the u, g, r, i, z bands with a 5σ point source depth of approximately 25th–26th AB magnitudes. Here, we map the aperture masses in 58 galaxy cluster fields using weak gravitational lensing. These clusters span a variety of dynamical states, from nearly relaxed to merging systems, and approximately half of them have not been subject to detailed weak lensing analysis before. In each cluster field, we analyze the alignment between the 2D mass distribution described by the aperture mass map, the 2D red-sequence (RS) galaxy distribution, and the brightest cluster galaxy (BCG). We find that the orientations of the BCG and the RS distribution are strongly aligned throughout the interiors of the clusters: the median misalignment angle is 19° within 2 Mpc. We also observe the alignment between the orientations of the RS distribution and the overall cluster mass distribution (by a median difference of 32° within 1 Mpc), although this is constrained by galaxy shape noise and the limitations of our cluster sample size. These types of alignment suggest long-term dynamical evolution within the clusters over cosmic timescales.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Quantum simulation of Lindbladian dynamics via repeated interactions

The Lindblad equation generalizes the Schrödinger equation to quantum systems that undergo dissipative dynamics. The quantum simulation of Lindbladian dynamics is therefore non-unitary, preventing a naive application of state-of-the-art quantum algorithms. Here, we make use of an approximate correspondence between Lindbladian dynamics and evolution based on repeated interaction (RI) CPTP maps to write down a Hamiltonian formulation of the Lindblad dynamics and derive a rigorous error bound on the master equation. Specifically, we show that the number of interactions needed to simulate the Liouvillian within error e scales in most physical scenarios as . This is significant because the error in the Lindbladian approximation to the dynamics is not explicitly bounded in existing quantum algorithms for open system simulations. We then provide quantum algorithms to simulate RI maps using an iterative qubitization approach and Trotter–Suzuki formulas, and specifically show that for iterative qubitization the number of operations needed to simulate the dynamics (for a fixed value of ?) scales as in the limit where a0 (the coefficient 1-norm for the system and bath Hamiltonians) asymptotically dominates over the corresponding factor for the interaction Hamiltonian, which is often the case in weak coupling. This scaling would appear to be optimal if the complexity of ? is not considered, which underscores the importance of considering the error in the Liouvillian that we reveal in this work.

Quantum Computing↗
DOE OSTI2025

Laboratory Testing and Performance Characterization of the High Efficiency Dehumidification System (HEDS) Technology

The high efficiency dehumidification system (HEDS) is a unique air handling unit (AHU) design with two water coils. Connected in series, these water coils can sensibly reheat the airstream after it is cooled and dehumidified, thereby mitigating (or sometimes eliminating) the need for conventional sensible reheat with additional energy from hot water, electric resistance or steam coils. Another unique design feature is the size of the HEDS primary cooling coil. While typical AHU cooling coils have a 6-row geometry, the HED's cooling coil has a deeper 10-row geometry enabling discharge air dew point temperatures at or below 55 degrees F despite warmer chilled water supply temperatures approaching (sometimes exceeding) 50 degrees F. The ability to meet acceptable discharge air dew points with warmer chilled water supply temperatures improves both operational efficiency and system resilience against chilled water plant operational or control issues. This report summarizes the 59 steady-state test results that form a comprehensive performance map of the HEDS technology including its reheat capability. The breadth of outdoor air conditions and flow rates over which the HEDS technology was tested and characterized encompasses the unit 1) operating as a dedicated outdoor air system or mixed air system and 2) controlled with constant air volume or variable air volume fan control.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Design of an alumina forming coating for Nb-base refractory alloys

Refractory multi-principal element alloys (RMPEAs) promise to significantly enhance gas turbine engine efficiency, but their poor oxidation performance inhibits their implementation. Alumina-forming bond coat alloys can provide oxidation protection, but discovering suitable chemistries remains a challenge. We employed a design methodology that screens for alumina-formation capability using Al activity and phase constitution predictions from CalPhaD (Thermo-Calc). Alloy down-selection from approximately 7,800 alloys in the Nb-Si-Ti-Al-Hf system was conducted via analysis of calculated thermodynamic properties with number-density topology style maps. This approach is validated by creating and testing the composition Nb 12 Si 23 Ti 24 Al 36 Hf 5 , which forms protective alumina scales up to 1400 °C and resists pesting at 800 °C. Further, the alloy has an average coefficient of thermal expansion of ~10.1 ppm/K, making it well matched to Nb-based refractory alloys. The methodology will be useful for the design of coatings for RMPEAs, enabling their implementation and significant efficiency benefits sooner.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Overlapping qubits from non-isometric maps and de Sitter tensor networks

The emergence of a local effective theory from a more fundamental theory of quantum gravity with seemingly fewer degrees of freedom is a major puzzle of theoretical physics. A recent approach to this problem is to consider general features of the Hilbert space maps relating these theories. In this work, we construct approximately local observables, or overlapping qubits, from such non-isometric maps. We show that local processes in effective theories can be spoofed with a quantum system with fewer degrees of freedom, with deviations from actual locality identifiable as features of quantum gravity. For a concrete example, we construct two tensor network models of de Sitter space-time, demonstrating how exponential expansion and local physics can be spoofed for a long period before breaking down. Our results highlight the connection between overlapping qubits, Hilbert space dimension verification, degree-of-freedom counting in black holes, holography, and approximate locality in quantum gravity.

Quantum information↗
DOE OSTI2025

Collaborative energy and land use planning

Energy models make projections for infrastructure, yet struggle to map deployment pathways at the ground level, where risks and benefits to human and natural systems materialize. Furthermore, a study now shows how blending in geospatial science can help to preserve natural capital while allowing for new infrastructure to be built.

Energy and society↗
DOE OSTI2025

Multi-angle Precession Electron Diffraction (MAPED): A Versatile Approach to 4D-STEM Precession

Precession of a converged beam during acquisition of a 4D-STEM dataset improves strain, orientation, and phase mapping accuracy by averaging over continuous angles of illumination. Precession experiments usually rely on integrated systems, where automatic alignments lead to fast, high-quality results. The dependence of these experiments on specific hardware and software is evident even when switching to nonintegrated detectors on a precession tool, as experimental set-up becomes challenging and time-consuming. Here, we introduce multi-angle precession electron diffraction (MAPED): a method to perform electron diffraction by collecting sequential 4D-STEM scans at different incident beam tilts. The multiple diffraction datasets are averaged together postacquisition, resulting in a single dataset that minimizes the impact of the curvature and orientation of the Ewald sphere relative to the crystal under study. Our results demonstrate that even four additional tilts improved measurement of material properties, namely strain and orientation, as compared to single-tilt 4D-STEM experiments. We show the versatility and flexibility of our MAPED approach with data collected on a number of microscopes with different hardware configurations and a variety of detectors.

4D-STEM↗
DOE OSTI2025

Data Structure Alchemy

In an increasingly more data-driven world, the project set out to uncover the first principles of data-structure design, chart the immense design space they form, and build automation that can synthesize an optimal structure, or even a whole storage engine, for any given workload, hardware platform, and cost target. Data structures are at the center of every computational system and are directly responsible for its performance. Two core technical thrusts were defined: 1) Mapping design spaces for key data-centric abstractions (filters, hash functions, storage-engine layouts, neural-network topologies, blockchain protocols, image layouts, etc.). 2) Developing search & synthesis algorithms, initially analytical cost models, later neural-guided bi-level optimisers that navigate sextillions of candidate designs in seconds and materialise the best one as ready‐to-run code. This report distills the key insights, accomplishments, and impact.

97 MATHEMATICS AND COMPUTING↗