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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Investigating the coalescence-inspired sum rule for light nuclei and hypernuclei in heavy-ion collisions

A data-driven idea is presented to test if light nuclei and hypernuclei obey the coalescence-inspired sum rule, i.e., to test if the flow of a light nucleus or hypernucleus is the summed flow of each of its constituents. Here, the mass difference and charge difference among the constituents of light nuclei and hypernuclei are treated appropriately. The idea is applied to the available data for $\sqrt{^sNN}$ = 3 GeV fixed-target Au + Au collisions at the Relativistic Heavy Ion Collider (RHIC), published by the STAR Collaboration. It is found that the sum rule for light nuclei is approximately valid near midrapidity (-0.3 < $\mathcal{y}$ < 0), but there is a clear violation of the sum rule at large rapidity ($\mathcal{y}$ < -0.3). Further, the Jet AA Microscopic Transport Model (JAM), with baryonic mean-field plus nucleon coalescence, generates a similar pattern as obtained from the experimental data. In the present approach, the rapidity dependence of directed flow of the hypernuclei $^3_Λ$⁢H and $^4_Λ$H is predicted in a model-independent way for $\sqrt{^sNN}$ = 3 GeV Au + Au collisions, which will be explored by ongoing and future measurements from STAR.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

MOSCATO Development and Integration in Fiscal Year 2025: Implementation of Multiphase, Multiphysics Modeling Capabilities for Molten Salt Systems

MOSCATO (Molten Salt Chemistry and Transport) is a multiphysics code that provides high-fidelity, coupled simulations of fluid flow, heat transfer, mass transfer, chemistry, electrochemical phenomena, and alloy corrosion for molten salt systems. In FY25, significant developments were made to the code package, enhancing its capabilities for modeling all relevant phenomena within operating moltens salt reactors (MSRs). The developments and activities in FY25 included: 1. Implementation of Level-Set methods to enable modeling of single-bubble behavior in molten salts. In FY25, the Level-Set two-phase flow modeling implementation was improved to simulate single bubble behavior with molten salt media. The large density and viscosity ratios between typical gases and molten salt liquids present challenges for these types of numerical solvers. With enhancements to the pressure projection method, MOSCATO’s Level-Set solver was able to be successfully validated to experiments related to helium bubble rise in stagnant molten salt. The simulated bubble rising velocity showed reasonable good agreement with experimental measurements. The bubble shape and dynamics were also visually compared with experimental snapshots, demonstrating a good qualitative match. 2. Generation of mass transfer correlations for multiphase flow systems. To enable calculations of the tritium transport across the interface between gas bubbles and salt, we modeled high- Schmidt-number mass transfer around a sphere across a broad range of Reynolds numbers. The mesh near the sphere surface was highly refined to resolve steep concentration gradients caused by the low diffusion coefficient. Literature-based mass transfer correlations were compared with the numerical results, and modifications were proposed to improve agreement, particularly at higher Schmidt numbers. These mass transfer correlations were subsequently provided to other national laboratories to help enable high quality mass transfer simulations using lower-order solvers under development within the NEAMS program. 3. Preliminary implementation of a bubbly flow solver. To model bubbly flow in molten salt, we implemented a bubbly flow solver for void fractions less than 5%. To do so, an algebraic relative velocity model that assumes small bubbles with rapid momentum equilibration was added to MOSCATO to compute bubble velocities. Preliminary comparisons with experimental data showed reasonable agreement, and further improvements are underway. 4. Generation of mass transfer correlations for MSRE subchannel The Molten-Salt Reactor Experiment (MSRE) was a landmark historical project that demonstrated the feasibility of molten-salt reactor technology. The MSRE campaign also generated a significant body of experimental data and reports that continue to support molten-salt–related research. In this report, the MSRE core subchannel was used as the reference geometry for a mass transfer study performed with MOSCATO. The geometry and computational mesh were adapted from a previous study, providing adequate resolution for the relatively low Reynolds number in this case. Additional mesh refinement was applied to reach higher Schmidt numbers, enabling the derivation of a reliable mass-transfer correlation for the present scenario. 5. Simulations of oxygen ingressions into molten salt. In the previous fiscal year, we initiated a study to simulate oxygen ingression in stagnant salt. As oxygen enters the salt through its surface, it reacts with Ce 3+ to form solid CeO 2 and other reaction products. To more fully capture the complex diffusion-convection-reaction mechanisms, capabilities for modeling natural convection in the salt vessel were added. These were needed as the flow of the ingressed gas induced flow in the salt caused by surface shear and non-isothermal effects. With these updated physics in place, we were able to successfully reproduce the experimental results for the rate of change of CeCl 3 concentrations versus time. 6. Flow corrosion model validation. In FY24, MOSCATO’s corrosion model was validated against static corrosion experiments. In FY25, this work was extended to a flow corrosion experiment, where FLiNaK salt was driven by natural convection, with initial salt impurities to initiate corrosion. Despite uncertainties in parameters such as elemental diffusion coefficients in the alloy and unknown H + concentrations, the simulations achieved good agreement with experimental results, especially in predicting sample mass losses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

An Evaluation of Co-Simulation for Modeling Coupled Natural Gas and Electricity Networks

Reliance on natural gas for power generation has increased the coupling between gas and power networks. While this coupling can bring operational and economic benefits, it can also yield challenges, as the constraints in one system can impact the other. Co-simulation can capture the constraints and interactions between these systems, but so far, there has been limited comparison of co-simulation results to those of an integrated model. In this work, we develop a new co-simulation framework using the HELICS platform and the SAInt tool for modeling transient gas and AC optimal power flow. We evaluate this co-simulation framework against a fully integrated version of the SAInt power and gas simulators, thus providing a benchmarking of the co-simulation approach. We compare results across the two approaches for two test networks and a network representing the Belgian power and gas networks, testing both normal operating conditions and cases with compressor disruptions. In each of the cases tested, we find nearly identical results from the two approaches across various metrics of interest, such as nodal pressure, gas flow rates, and active power generation. This alignment suggests that co-simulation can yield comparable results to fully integrated models for modeling coupled gas and electricity networks.

03 NATURAL GAS↗
DOE OSTI2021

Oxidation and pyrolysis of methyl propyl ether

The ignition, oxidation, and pyrolysis chemistry of methyl propyl ether (MPE) was probed experimentally at several different conditions, and a comprehensive chemical kinetic model was constructed to help understand the observations, with many of the key parameters computed using quantum chemistry and transition state theory. Experiments were carried out in a shock tube measuring time variation of CO concentrations, in a flow tube measuring product concentrations, and in a rapid compression machine (RCM) measuring ignition delay times. The detailed reaction mechanism was constructed using the Reaction Mechanism Generator software. Sensitivity and flux analyses were used to identify key rate and thermochemical parameters, which were then computed using quantum chemistry to improve the mechanism. Validation of the final model against the 1-20 bar 600-1500 K experimental data is presented with a discussion of the kinetics. The model is in excellent agreement with most of the shock tube and RCM data. Strong non-monotonic variation in conversion and product distribution is observed in the flow-tube experiments as the temperature is increased, and unusually strong pressure dependence and significant heat release during the compression stroke is observed in the RCM experiments. These observations are largely explained by a close competition between radical decomposition and addition to O2 at different sites in MPE; this causes small shifts in conditions to lead to big shifts in the dominant reaction pathways. The validated mechanism was used to study the chemistry occurring during ignition in a diesel engine, simulated using Ignition Quality Test (IQT) conditions. At the IQT conditions, where the MPE concentration is higher, bimolecular reactions of peroxy radicals are much more important than in the RCM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Validation of ablation model for polyethylene using pulsed x-ray and proton exposures

The surface erosion of polyethylene is interrogated using pulsed x rays at the Z Machine (Sandia National Laboratories) and with proton beams at the Gamble II generator (Naval Research Laboratory) to validate a coupled model for volumetric thermal ablation, photoionization, finite-rate decomposition, and molecular recombination of radicals. The intense radiation pulses (up to ∼1014W/m2 over tens of nanoseconds) are used to generate one-dimensional vapor flows with low ionization fractions and a simplified geometry compared to typical laser ablation, allowing for evaluation of the model under local thermal equilibrium conditions. Areal momentum carried by the ensuing uniaxial hydrodynamic shock is used to indicate the extent of ablation. The threshold fluence for ablation is found to be in close correspondence with the bulk melt transition, and reasonable agreement with the model is obtained for peak temperatures in polyethylene up to 5500 K and heating rates up to 1011K/s where thermal decomposition reactions are also active.

Moore, N. W. (ORCID:0000000272259674)↗
DOE OSTI2022

Optimizing the fuel efficiency of an opposed piston engine for electric power generation

This paper investigates the optimal crankshaft motion for an opposed piston (OP) engine in a novel hybrid architecture to maximize fuel efficiency. The OP engine was selected for this work due to its inherent thermodynamic benefits and the balanced nature of the engine which can achieve downsizing through reducing the number of cylinders rather than the individual cylinder volume. The typical geartrain required on an OP engine was exchanged for two electric motors, reducing friction loss and decoupling the crankshafts. Using the motors to control the crankshaft motion profiles, this architecture introduces capabilities to dynamically vary compression ratio, combustion volume, and scavenging dynamics. To leverage these opportunities, an optimization scheme was developed utilizing nonlinear optimization of a 0-D model to compute the crankshaft motion profile that maximizes the work generated by the system. This optimization was then iteratively coupled with a high fidelity model which supplies the cylinder flow boundary conditions. This iterative approach reduces the model complexity used in the optimal control problem (OCP) while capturing the gas exchange dynamics critical to the 2-stroke cycle of the OP engine. By using the rate of change of motor torque as the input to the OCP, the torque fluctuation in a single cycle can be limited to ensure tracking feasibility. The results show crankshaft velocity slows during the compression stroke and conversely accelerates during the expansion stroke, reducing the peak motor torque required for control and thus reducing the motor losses. The extended residence time at top dead center, however, leads to an increase in heat transfer, illustrating the trade-off between the work extraction efficiency and the indicated engine efficiency.

Engineering↗
DOE OSTI2022

Modeling Needs for High Power Target

The next generation of high power targets will use more complex geometries, novel materials, and new concepts (like flowing granular materials); however, the current numerical approaches will not be sufficient to converge towards a reliable target design that satisfies the physical requirements. We will discuss what can be improved in the next 10 years in target modeling to support high power (MW class) targets.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Doppler-Lidar Evaluation of HRRR-Model Skill at Simulating Summertime Wind Regimes in the Columbia River Basin during WFIP2

Complex-terrain locations often have repeatable near-surface wind patterns, such as synoptic gap flows and local thermally forced flows. An example is the Columbia River Valley in east-central Oregon-Washington, a significant wind-energy-generation region and the site of the Second Wind-Forecast Improvement Project (WFIP2). Data from three Doppler lidars deployed during WFIP2 define and characterize summertime wind regimes and their large-scale contexts, and provide insight into NWP model errors by examining differences in the ability of a model [NOAA’s High-Resolution Rapid-Refresh (HRRR-version1)] to forecast wind-speed profiles for different regimes. Seven regimes were identified based on daily time series of the lidar-measured rotor-layer winds, which then suggested two broad categories. First, in three regimes the primary dynamic forcing was the large-scale pressure gradient. Second, in two regimes the dominant forcing was the diurnal heating-cooling cycle (regional sea-breeze-type dynamics), including the marine intrusion previously described, which generates strong nocturnal winds over the region. The other two included a hybrid regime and a non-conforming regime. For the large-scale pressure-gradient regimes, HRRR had wind-speed biases of ~1 m s -1 and RMSEs of 2-3 m s -1 . Errors were much larger for the thermally forced regimes, owing to the premature demise of the strong nocturnal flow in HRRR. Thus, the more dominant the role of surface heating in generating the flow, the larger the errors. Major errors could result from surface heating of the atmosphere, boundary-layer responses to that heating, and associated terrain interactions. Finally, measurement/modeling research programs should be aimed at determining which modeled processes produce the largest errors, so those processes can be improved and errors reduced.

17 WIND ENERGY↗
DOE OSTI2021

Integrating AI with physics-based hydrological models and observations for insightinto changing climate and anthropogenic impacts

Focal Areas: Advanced computational methods that integrate AI, physics, and observations to provide predictive landscape hydrological modeling over large areas (regional, continental, worldwide) while incorporating increasingly available high-resolution data from drones, lidar and satellite. Science Challenge: Landscape data is available at finer scales than can be used in physics-based hydrological (PBH) models for regional or continental terrestrial water modeling. Thus, we throw away observable detail to achieve computability. We argue that integration of AI with PBH models and observed data can be used to provide upscaling for predictive models that are computable, retain physical conservation properties, and represent the fine-scale features that affect complex flow physics through both natural and urban environments. Developing such next-generation capabilities requires outside-the-box thinking that melds the different approaches of AI modeling, PBH modeling, and observation across multiple scales from local drones to satellites.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

The Dynamics of the Wide-angle Tailed (WAT) Galaxy Cluster A562

We present the first in-depth dynamical analysis of the archetypal wide-angle tailed (WAT) cluster A562. We have combined Gemini observations with archival data from the literature to form a sample of 76 cluster members and derived a mean redshift of 0.1088 ± 0.0004 and a velocity dispersion of 919 ± 116 km s{sup −1}. This relatively large velocity dispersion suggests either a very massive cluster (M {sub dyn} > 6.9 × 10{sup 14} M {sub ☉}) and/or a merger system. The merger model is supported by a non-Gaussian galaxy velocity distribution, an elongated spatial distribution of likely cluster members, and an elongated X-ray emitting gas. This scenario would generate the bulk flow motion of the intracluster medium that can exert enough ram pressure to bend the radio jets. Thus, our observations support the model in which a recent off-axis merger event produced the cluster wide conditions needed to shape the WAT in A562.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Hydropower Capacity Factor Trends & Analytics for the United States

This data repository contains all code, input data, and data generated for Turner et al. (2024)—“Hydropower capacity factors trending down in the United States”. File descriptions: – hydro-cf-trends-inputs.zip: Full set of input data used in this study, organized for direct entry into “/data” directory of hydro-cf-trends data processing pipeline. – hydro-cf-trends.zip: Full data processing pipeline, coded using the R {targets} framework. This is a snapshot release (v1.0) of the code repository stored at https://code.ornl.gov/turnersw/hydro-cf-trends/. – hydro-cf-trends-results.zip: Provides all dam level results required to reproduce results and graphics in Turner et al. (2024). Dams are identified by the “complxID” (root of the hydropower plant ID in the Existing Hydropower Assets Database, inherited from HILARRI). Results include: • dam_CF_trends.csv: Table of long-term trends in annualized capacity factors for 610 dams and modeled annualized capacity factors for 362 modeled dams (naturalized and assimilated flows). • dam_annualized_CF_gen.csv: Annualized time series of the following variables for each of 610 hydropower dams with nameplate > 5MW – Reported nameplate capacity (MW) – Implied maximum annual generation (MWh) – Reported net generation (MWh) – Computed annual capacity factor – Modeled annual capacity factor (362 modeled plants only)

13 HYDRO ENERGY↗
DOE OSTI2021

The Water-Fe-Pressure dependent single-crystal elastic properties of wadsleyite: Implications for the seismic anisotropy in the upper Mantle Transition Zone

Recent seismic studies suggest an anisotropic Mantle Transition Zone (MTZ) in areas adjacent to subducted slabs. Wadsleyite is the main anisotropy contributor in the upper MTZ, therefore the interpretation of these seismic observations requires the knowledge of single-crystal elastic moduli (C ij s) and the deformation-induced lattice preferred orientation (LPO) of wadsleyite. Wadsleyite can host up to 3 wt% water in its crystal structure as point defects in the form of hydroxyl groups, however, the combined effect of water content, Fe content, and pressure on the C ij s of wadsleyite remains unclear. In this study, we measured the high-pressure single-crystal elasticity of a synthetic hydrous Fe-bearing wadsleyite (0.14(5) wt% water, Fe#=9.4, Fe 3+ /ΣFe=0.3) up to 18.2 (2) GPa. In combination with previous experimental data, we separated the effects of pressure, water, and Fe contents on the Cijs and intrinsic elastic anisotropy of wadsleyite. Overall, our results suggest that the intrinsic elastic anisotropy of wadsleyite decreases with pressure, water, and Fe contents. At 15 GPa, increasing the water content by 0.1 wt% or Fe# by 1 decreases the V P and V S anisotropy of wadsleyite by ~1.1-1.3%, and ~0.8-1.3% in average, respectively. Combined with the LPO determined in previous deformation experiments, we modeled the seismic anisotropy in the upper MTZ generated by a sub-vertical mantle flow near cold subducted slabs and a sub-horizontal mantle flow in the ambient mantle. In both scenarios, the LPO of wadsleyite leads to V SV (vertically polarized shear wave velocity) > V SH (horizontally polarized shear wave velocity). Our results suggest that wadsleyite may account for a weak anisotropic MTZ (<1%) on the global scale. Considering the fact that water decreases the elastic anisotropy but promotes LPO of wadsleyite, seismic anisotropy may not be a good water sensor.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Triboplasma assisted chemical conversion in granular systems: a semi-analytic model

We present a semi-analytic model for a novel plasma-assisted chemical conversion pathway using triboplasmas generated in granular flows. Triboelectric charge relaxation is a well known phenomena where the potential generated from contact charging of particles exceeds the breakdown voltage of the background gas. In this work, we extend the triboelectric charge relaxation theory to include non equilibrium plasma energy and particle balance equations to predict the formation of dissociated and excited species that act as precursors to chemical conversion, for example in plasma-assisted ammonia synthesis. Our example case study with nitrogen background gas and teflon/aluminum tribomaterial system yielded high excited nitrogen species densities per collision that are comparable to current plasma-assisted conversion pathways. We also present a regime diagram for various gases where Paschen breakdown parameters are used to determine whether triboplasmas can be formed for a given effective work-function difference between two materials. Our sensitivity studies indicate particle velocity, particle radius, solids fraction and space charge effects play a critical role in overall plasma densities and excited species production.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Towards a data-driven model of hadronization using normalizing flows

We introduce a model of hadronization based on invertible neural networks that faithfully reproduces a simplified version of the Lund string model for meson hadronization. Additionally, we introduce a new training method for normalizing flows, termed MAGIC, that improves the agreement between simulated and experimental distributions of high-level (macroscopic) observables by adjusting single-emission (microscopic) dynamics. Our results constitute an important step toward realizing a machine-learning based model of hadronization that utilizes experimental data during training. Finally, we demonstrate how a Bayesian extension to this normalizing-flow architecture can be used to provide analysis of statistical and modeling uncertainties on the generated observable distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Power Flow Spectroscopy Diagnostics & Platform Development at the Z Pulsed Power Facility

Large pulsed power accelerators deliver multi-MJ pulses of electrical energy to a variety of high energy density (HED) physics experiments that support stockpile science programs. Understanding the plasma formation mechanisms and resulting electrical power transport (or "power flow") in the vacuum magnetically insulated transmission lines (MITLs) is an important area of ongoing research, and could provide a means to improve the performance of today's pulsed power accelerators while improving confidence in the design options for next-generation pulsed power concepts. Power flow science has been studied for decades, but these studies have not provided a predictive understanding of plasma formation and expansion in MITL systems. Several recent factors in pulsed power system design have generated a renewed (and urgent) interest in developing validated, multi-physics power flow engineering models with increased scrutiny and understanding. Examples of these factors include (i) the use of high inductance experimental configurations that could increase current "loss", (ii) interest in long-pulse applications that require predictable pulse shapes, and (iii) the desire to develop a deeper understanding of how current loss phenomena scale to larger accelerator configurations. This work is directed to support the validation of multi-physics power flow engineering models required to realize pulsed power systems for the NNSA mission.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Renewable Energy Transitions: Risk and Opportunities

This presentation summarizes historical and modeled data of the energy transition, including energy generation sources, energy jobs, and global materials flow. It concludes with discussion points about potential risks and opportunities of the energy transition.

ENERGY PLANNING, POLICY, AND ECONOMY,ENVIRONMENTAL↗
DOE OSTI2021

Topical Report on Water Balance Model Development and Initial Application

This topical report summarizes results from developing a generic dynamic water balance tool which can be used by coal-fired power plant operators to evaluate FGD water management strategies. EPRI is using a statistical software model created on the GoldSim platform and data from coal-fired energy plants to determine the fraction of power plant water needs that can be satisfied by electrodialysis reversal treatment and, correspondingly, the discharge volume and/or byproducts that still need to be managed. The generic model is designed to accept a number of easily obtainable process variables and generate probabilities of resultant water characteristics. The model is also constructed as a universal process flow; one that can be adjusted to accommodate most major components of an FGD blowdown handling system. The generic model is dynamic and utilizes user-inputted operational variation in water quality and quantity to best provide a probabilistic representation of potential performance outcomes. In order to account for complexities of water composition and treatment, a separate chemical modeling software is used to evaluate water chemistry and unit operation performance. The thermodynamic modeling software, OLI Studio, is employed to convert ion data from laboratory analyses into balanced molecular concentrations that are classified as dissolved and suspended solids. The dynamic water model is designed to import a total of 11 species commonly found in FGD blowdown water as molecular concentrations.Water management unit operations are used in the model and categorized by either physical unit operation blocks or chemical unit operations blocks. As the name implies, the physical water treatment blocks are unit operations that are exclusively physical changes to the system (e.g., separations and volume changes). The chemical water treatment blocks are unit operations where chemical changes occur and require the use of OLI Studio to characterize subsequent streams. Water and material balances from three unique coal-fired power plants were obtained and preliminary modeling on the dynamic water balance tool was performed using the extracted data from these power plants. These three power plants were chosen due to their unique configurations and water profiles that represented a variety of operational changes. Results from using the dynamic tool with the three plant configurations are presented and discussed in the context of the existing tool and planned future capabilities.

01 COAL, LIGNITE, AND PEAT↗