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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Land Surface Modeling 2.0 for agricultural climate change impact assessments

Focus Area: This white paper addresses DOE AI4ESP focus area #2 by providing a sketch blueprint for a next generation, hybrid AI/process-based global Land Surface Modeling (LSM) framework to improve projections of climate change impacts on the land surface system including agriculture and the hydrological cycle. Science Challenge: Climate change impacts on agriculture are highly uncertain: -50% to +150% global production changes for major grains under high-end climate change, for example. The core challenge in land surface system predictability is the large gap between the scale at which the relevant biological processes act and the scale at which the risks need to be assessed. Conventional empirical and process-based modeling approaches are insufficient. A new multi-scale modeling paradigm which employs AI/ML to learn from new streams of remote sensing data and targeted ’gene-to-global’ simulations is needed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Velocity-Space Hybridization of Direct Simulation Monte Carlo and a Quasi-Particle Boltzmann Solver

This paper presents a new method for modeling rarefied gas flows based on hybridization of direct simulation Monte Carlo (DSMC) and discrete velocity method (DVM)-based quasi-particle representations of the velocity distribution function. It is aimed at improving the resolution of the tails of the distribution function (compared with DSMC) and computational efficiency (compared with DVM). Details of the method, such as the collision algorithm and the particle merging scheme, are discussed. The hybrid approach is applied to the study of noise in a Maxwellian distribution, computation of electron-impact ionization rate coefficient, as well as numerical simulation of a supersonic Couette flow. The hybrid-based solver is compared with pure DSMC and DVM approaches in terms of accuracy, computational speed, and memory use. It is shown that such a hybrid approach can provide a lower computational cost than a pure DVM approach, while being able to retain accuracy in modeling high-velocity tails of the distribution function. For problems where trace species have a significant impact on the flow physics, the proposed method is shown to be capable of providing better computational efficiency and accuracy compared with standard fixed-weight DSMC.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Hybrid Natural Gas Geothermal Combined Cycle Power Plant Analysis

Low temperature geothermal resources, including those associated with oil and gas production, are an underutilized source of low carbon energy. The present work investigates coupling of low-temperature geothermal resources with concentrating solar and/or natural gas energy sources to increase the number of locations at which power generation from low temperature geothermal resources would be technically and economically viable. Stand-alone and hybrid geothermal power cycles are simulated using SimTech IPSEpro process modeling software. Design point strategies for a hybrid power cycle that may operate with either a single heat source or two simultaneous heat input sources are considered. Additionally, off-design power plant operation is investigated to consider the impacts of the heat source availability and ambient temperature variations. The off-design analysis utilizes a modeling tool that predicts power plant performance at each time step as a function of topping cycle heat input (from gas or solar), bottoming cycle heat input (from geothermal), and ambient temperature. Addition of a steam topping cycle to an organic Rankine cycle geothermal power plant provides opportunities to increase the efficiency and power output relative to a stand-alone geothermal power plant. Additionally, use of the waste heat from gas turbine power generation in a geothermal bottoming cycle provides opportunities to increase the amount of power generation associated with each unit of carbon dioxide emitted. This paper will describe the hybrid plant configuration evaluated, discuss the predicted power cycle performance, and compare with stand-alone natural gas and geothermal power generation cases. The power cycle investigated is expected to be applicable for use with conventional hydrothermal resources as well as with geologic thermal energy storage applications and/or enhanced geothermal systems. The steam topping cycle could use a concentrated solar heat source for fully renewable hybrid plant configuration. A plant initially constructed with a natural gas topping cycle heat source could be converted to a solar heat source part way though the power cycle operational life to achieve life cycle carbon emission reductions.

concentrating solar power↗
DOE OSTI2024

Impact of grain boundary and surface diffusion on predicted fission gas bubble behavior and release in UO 2 fuel

In this work, we quantify the impact of grain boundary (GB) and surface diffusion on fission gas bubble evolution and fission gas release in UO 2 nuclear fuel using simulations with a hybrid phase field/cluster dynamics model. Here, we begin with a comprehensive literature review of uranium vacancy and xenon atom diffusivity in UO 2 through the bulk, along GBs, and along surfaces. In our model we represent fast GB and surface diffusion using a heterogeneous diffusivity that is a function of the order parameters that represent bubbles and grains. We find that the GB diffusivity directly impacts the rate of gas release via GB transport, and that the GB diffusivity is likely below 104 times the lower value from Olander and van Uffelen. We also find that the surface diffusivity impacts bubble coalescence and mobility, and that the bubble surface diffusivity is likely below 10 -4 times the value from Zhou and Olander.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Policy support and technology development trajectory for renewable natural gas in the U.S.

Renewable natural gas (RNG) is a clean alternative to fossil natural gas, which can be used as transportation fuel, among other applications. This study projects the development trajectory of RNG and evaluates its impacts on the future U.S. transportation market using a hybrid computable general equilibrium model. This analysis considers various factors and uncertainties affecting RNG production, such as technology development, market conditions, competition with other advanced biofuels, and national and state policies. In 2050, RNG production will grow to 2.7 billion gallons (10 billion liters), mostly from swine manure, under current policy provisions. This will lead to a reduction in greenhouse gas (GHG) emissions by 58.56 million metric tonne of CO 2e in 2050. Analysis of different technology cases finds RNG from animal manure to be predominant, while RNG from corn stover and cellulosic ethanol are less competitive. Furthermore, a high mandatory target of 1 billion gallons will drive RNG production higher by 8–18 %, while an extended 2 nd -generation biofuel production tax credit will mostly increase cellulosic ethanol production. The model also finds RNG production being affected by uncertainties in market conditions, such as GDP growth, fossil fuel prices, and oil and gas supply.

Biomethane↗
DOE OSTI2019

Combining anaerobic digestion and hydrothermal liquefaction in the conversion of dairy waste into energy: A techno economic model for New York state

There is increasing global interest and policies being enacted to lower greenhouse gas emissions, especially from the agricultural sector. In the U.S. for example, states with large dairy operations may combine proven manure valorization technologies, such as anaerobic digestion and hydrothermal liquefaction. Sustainable manure treatment would increase the recovery of energy and other useful co-products, namely biogas, biocrude oil and hydro-char as well as lower the environmental impacts. In this study, the economic feasibility of implementing a centralized bioenergy system in New York State was investigated. Here, the feasibility of this transformation depends on many factors, including capital costs, discount rates, and other financing arrangements, electricity selling prices, incentives and farm sizes and locations. For a large-scale implementation in New York State accounting for nearly 50% of the state’s dairy farms, our model of a distributed, hybrid anaerobic/hydrothermal system was shown to treat 590 million liters of wet manure per day, producing 607 million kWh of electricity, 162,000 L of biocrude oil and 117,000 kg of hydro-char per day. Electricity selling price is a critical factor. Increasing the electricity selling price from wholesale ($\$0.06$ /kWh) to retail ($\$0.18$ kWh) increased the net present value from $\$395$ million to $1.5 billion (considering a 40-year project lifetime).

42 ENGINEERING↗
DOE OSTI2024

DNA Origami Incorporated into Solid-State Nanopores Enables Enhanced Sensitivity for Precise Analysis of Protein Translocations

The rapidly advancing field of nanotechnology is driving the development of precise sensing methods at the nanoscale, with solid-state nanopores emerging as promising tools for biomolecular sensing. Here, this study investigates the increased sensitivity of solid-state nanopores achieved by integrating DNA origami structures, leading to the improved analysis of protein translocations. Using holo human serum transferrin (holo-hSTf) as a model protein, we compared hybrid nanopores incorporating DNA origami with open solid-state nanopores. Results show a significant enhancement in holo-hSTf detection sensitivity with DNA origami integration, suggesting a unique role of DNA interactions beyond confinement. This approach holds potential for ultrasensitive protein detection in biosensing applications, offering advancements in biomedical research and diagnostic tool development for diseases with low-abundance protein biomarkers. Further exploration of origami designs and nanopore configurations promises even greater sensitivity and versatility in the detection of a wider range of proteins, paving the way for advanced biosensing technologies.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Electrolyte-Guided Design of Electroreductive CO Coupling on Copper Surfaces

Engineering the interfacial distribution of electrolytic ions can aid in modulating the electrocatalyst performance and efficiency. Using a hybrid quantum-classical modeling approach, we describe how predictive tuning of the solution microenvironment on copper can enhance the efficiency of CO 2 reduction (CO 2 R) to C 2 products. We elucidate how competing electrolyte constituents in mixed electrolyte solutions stimulate restructuring of the electrochemical double layer (EDL) and stabilize the OCCO* dimer (* denotes surface adsorbed), with predictions validated in flow reactors using copper gas diffusion electrodes (Cu-GDEs). Furthermore, our findings highlight how molecular-scale electrolyte engineering with informed models of the EDL can be leveraged to tailor CO 2 R activity and selectivity toward C 2 products.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Projecting Large Fires in the Western US With an Interpretable and Accurate Hybrid Machine Learning Method

More frequent and widespread large fires are occurring in the western United States (US), yet reliable methods for predicting these fires, particularly with extended lead times and a high spatial resolution, remain challenging. In this study, we proposed an interpretable and accurate hybrid machine learning (ML) model, that explicitly represented the controls of fuel flammability, fuel availability, and human suppression effects on fires. The model demonstrated notable accuracy with a F 1 -score of 0.846 ± 0.012, surpassing process-driven fire danger indices and four commonly used ML models by up to 40% and 9%, respectively. More importantly, the ML model showed remarkably higher interpretability relative to other ML models. Specifically, by demystifying the “black box” of each ML model using the explainable AI techniques, we identified substantial structural differences across ML fire models, even among those with similar accuracy. The relationships between fires and their drivers, identified by our model, were aligned closer with established fire physical principles. The ML structural discrepancy led to diverse fire predictions and our model predictions exhibited greater consistency with actual fire occurrence. With the highly interpretable and accurate model, we revealed the strong compound effects from multiple climate variables related to evaporative demand, energy release component, temperature, and wind speed, on the dynamics of large fires and megafires in the western US. Our findings highlight the importance of assessing the structural integrity of models in addition to their accuracy. They also underscore the critical need to address the rise in compound climate extremes linked to large wildfires.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Coherent electrical control of a single high-spin nucleus in silicon

Nuclear spins are highly coherent quantum objects. In large ensembles, their control and detection via magnetic resonance is widely exploited, for example, in chemistry, medicine, materials science and mining. Nuclear spins also featured in early proposals for solid-state quantum computers and demonstrations of quantum search and factoring algorithms. Scaling up such concepts requires controlling individual nuclei, which can be detected when coupled to an electron. However, the need to address the nuclei via oscillating magnetic fields complicates their integration in multi-spin nanoscale devices, because the field cannot be localized or screened. Control via electric fields would resolve this problem, but previous methods relied on transducing electric signals into magnetic fields via the electron–nuclear hyperfine interaction, which severely affects nuclear coherence. In this work, we demonstrate the coherent quantum control of a single 123 Sb (spin-7/2) nucleus using localized electric fields produced within a silicon nanoelectronic device. The method exploits an idea proposed in 1961 but not previously realized experimentally with a single nucleus. Our results are quantitatively supported by a microscopic theoretical model that reveals how the purely electrical modulation of the nuclear electric quadrupole interaction results in coherent nuclear spin transitions that are uniquely addressable owing to lattice strain. The spin dephasing time, 0.1 seconds, is orders of magnitude longer than those obtained by methods that require a coupled electron spin to achieve electrical driving. These results show that high-spin quadrupolar nuclei could be deployed as chaotic models, strain sensors and hybrid spin-mechanical quantum systems using all-electrical controls. Integrating electrically controllable nuclei with quantum dots could pave the way to scalable, nuclear- and electron-spin-based quantum computers in silicon that operate without the need for oscillating magnetic fields.

42 ENGINEERING↗
DOE OSTI2022

Simultaneous measurements of unstable and stable Alfvén eigenmodes in JET

Here, we report the novel experimental observation of both unstable and stable toroidicity-induced Alfvén eigenmodes (TAEs) measured simultaneously in a JET tokamak plasma. The three-ion-heating scheme (D-DNBI-3He) is employed to accelerate deuterons to MeV energies, thereby destabilizing TAEs with toroidal mode numbers n = 3–5, each decreasing in mode amplitude. At the same time, the Alfvén eigenmode active diagnostic resonantly excites a stable n = 6 TAE with total normalized damping rate –γ/ω 0 ≈ 1%–4%. Hybrid kinetic-MHD modeling with codes NOVA-K and MEGA both find eigenmodes with similar frequencies, mode structures, and radial locations as in experiment. NOVA-K demonstrates good agreement with the n = 3, 4, and 6 TAEs, matching the damping rate of the n = 6 mode within uncertainties and identifying radiative damping as the dominant contribution. Improved agreement is found with MEGA for all modes: the unstable n = 3–5 and stable n = 2, 6 modes, with the latter two stabilized by higher intrinsic damping and lower fast ion drive, respectively. While some discrepancies remain to be resolved, this unique validation effort gives us confidence in TAE stability predictions for future fusion devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Frequency multiplication with toroidal mode number of kink/fishbone modes on a static HL-2A-like tokamak

In the presence of energetic particles (EPs), the long-lived mode (LLM) frequency multiplication with n = 1, 2, 3, or higher is often observed on HL-2A, where n is the toroidal mode number. Hybrid kinetic-MHD model simulations of the energetic particle (EP) driven kink/fishbone modes on a static HL-2A-like tokamak using NIMROD code find that when the background plasma pressure is relatively high, and the EP pressure and the beam energy are relatively low, the mode frequency increases almost linearly with EP pressure, and the frequency is proportional to n (‘frequency multiplication’), even in the absence of any equilibrium plasma rotation. In addition, the frequency multiplication persists as the safety factor at the magnetic axis q 0 varies. In the absence of EPs, the growth rate of the 1/1 mode is the largest; however, as the EP pressure increases, the growth rate of 2/2 modes or 3/3 modes becomes dominant, suggesting that higher-n modes are more vulnerable to EPs. These results may shed light on the understanding of the toroidal mode number dependence of kink/fishbone modes in the advanced scenarios of tokamaks with weak or reversed central magnetic shear.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

A MeerKAT-meets-LOFAR study of Abell 1413: a moderately disturbed non-cool-core cluster hosting a ~500 kpc ‘mini’-halo

Many relaxed cool-core clusters host diffuse radio emission on scales of hundreds of kiloparsecs: mini-haloes. However, the mechanism responsible for generating them, as well as their connection with central active galactic nuclei, is elusive and many questions related to their physical properties and origins remain unanswered. This paper presents new radio observations of the galaxy cluster Abell 1413 performed with MeerKAT (L-band; 872 to 1712 MHz) and LOFAR HBA (120 to 168 MHz) as part of a statistical and homogeneous census of mini-haloes. Abell 1413 is unique among mini-halo clusters as it is a moderately disturbed non-cool-core cluster. Our study reveals an asymmetric mini-halo up to 584 kpc in size at 1283 MHz, twice as large as first reported at similar frequencies. The spectral index is flatter than previously reported, with an integrated value of α = −1.01 ± 0.06, shows significant spatial variation, and a tentative radial steepening. We studied the point-to-point X-ray/radio surface brightness correlation to investigate the thermal/non-thermal connection: our results show a strong connection between these components, with a superlinear slope of $b = 1.63^{+0.10}_{-0.10}$ at 1283 MHz and $b = 1.20^{+0.13}_{-0.11}$ at 145 MHz. We also explore the X-ray surface brightness/radio spectral index correlation, finding a slope of $b = 0.59^{+0.11}_{-0.11}$. Both investigations support the evidence of spectral steepening. Finally, in the context of understanding the particle acceleration mechanism, we present a simple theoretical model which demonstrates that hybrid scenarios – secondary electrons (re-)accelerated by turbulence – reproduce a superlinear correlation slope.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

α -cluster microscopic study of C 12 + C 12 fusion toward the zero energy limit

The carbon burning process is a fundamental step of stellar evolution and governs the synthesis of chemical elements important for the formation of life. In this work, we utilize the microscopic hybrid α cluster (HαC) model and an analytical approach, both in the framework of the Imaginary Time Method (ITM), to study the carbon fusion reaction towards zero energy. We obtain the values of the cross sections, astrophysical factors and correlate our results to collective motion. We also include a calculation for the 2 + carbon fusion and discuss a possible experimental investigation. Our results confirm direct experimental and theoretical results close to the barrier, while suggest possible 2 + mixtures in the indirect experimental data. Furthermore, our study offers an accurate view of the burning process in the somewhat unexplored low energy region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Parallel-in-time quantum simulation via Page and Wootters quantum time

In the past few decades, researchers have created a veritable zoo of quantum algorithms by drawing inspiration from classical computing, information theory, and even from physical phenomena. Here, we present quantum algorithms for parallel-in-time simulations that are inspired by the Page and Wootters formalism. In this framework, and thus in our algorithms, the classical time variable of quantum mechanics is promoted to the quantum realm by introducing a Hilbert space of “clock” qubits that are then entangled with the “system” qubits. We show that our algorithms can compute temporal properties over 𝑁 different times of many-body systems by only using log⁡(𝑁) clock qubits. As such, we achieve an exponential trade-off between time and spatial complexities. In addition, we rigorously prove that the entanglement created between the system qubits and the clock qubits has operational meaning, as it encodes valuable information about the system’s dynamics. We also provide a circuit depth estimation of all the protocols, showing a running time advantage in computation times over traditional sequential-in-time algorithms. In particular, for the case when the dynamics are determined by the Aubry-Andre model, we present a hybrid method for which our algorithms have a depth that only scales as 𝒪⁡(log⁡(𝑁)⁢𝑛). As a by-product, we can relate the previous schemes to the problem of equilibration of an isolated quantum system, thus indicating that our framework enables a new dimension for studying dynamical properties of many-body systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Design and Construction of a High Field Cable Test Facility at Fermilab

Fermi National Accelerator Laboratory, together with Lawrence Berkeley National Laboratory, is building a new High Field Vertical Magnet Test Facility (HFVMTF) to be situated in the Magnet Test Facility at Fermilab. The HFVMTF is jointly funded by the US DOE Offices of Science, High Energy Physics, and Fusion Energy Sciences, and will serve as a superconducting cable test facility for both communities. The background magnetic field for test samples is 15 T and will be produced by a magnet provided by LBNL operating at 1.9 K in superfluid helium. The samples will be placed in the background magnetic field, cooled to between 4.5 K and a user-specified upper limit, and will be powered with a super-conducting transformer at up to 100 kA. Additionally, this facility will be used to test high-field superconducting magnet models and demonstrators, including hybrid magnets, produced by the US Magnet Development Program. Presently, the various tasks of the project are at different stages of execution, from conceptual to ready-for-construction designs. Here, this paper describes the parameters and design status of the pit construction, cryostat, heat exchanger, lambda plate, power system, and quench protection and monitoring systems of the facility.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Status of the High Field Cable Test Facility at Fermilab

Fermi National Accelerator Laboratory (FNAL) and Lawrence Berkeley National Laboratory (LBNL) are building a new High Field Vertical Magnet Test Facility (HFVMTF) for testing superconducting cables in high magnetic field. The background magnetic field of 15 T in the HFVMTF will be produced by a magnet provided by LBNL. The HFVMTF is jointly funded by the US DOE Offices of Science, High Energy Physics (HEP), and Fusion Energy Sciences (FES), and will serve as a superconducting cable test facility in high magnetic fields and a wide range of temperatures for HEP and FES communities. This facility will also be used to test high-field superconducting magnet models and demonstrators, including hybrid magnets, produced by the US Magnet Development Program (MDP). The paper describes the status of the facility, including construction, cryostat designs, top and lambda plates, and systems for powering, and quench protection and monitoring.

43 PARTICLE ACCELERATORS↗