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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Equivalent-Circuit Models of Grid-Forming IBRs for Electromagnetic-Transient Simulations

We derive equivalent-circuit models of control- and physical-layer subsystems of grid-forming (GFM) inverter-based resources (IBRs) for electromagnetic-transient (EMT) simulations. Three different primary controllers are considered: Droop, Virtual Synchronous Machine (VSM), and dispatchable Virtual Oscillator Control (dVOC). In addition, the models include cascaded voltage- and current-control loops, and LCL output filters. Simulations for a single-inverter setup and for a network of five inverters in a modified IEEE 14-bus topology are presented. The equivalent-circuit models simulated with analog electronic circuit-simulator software (in our case, LTspice) offer the same accuracy, and with no explicit tuning of the solver, lower computational burden compared to block-diagram-based implementations in commercial off-the-shelf EMT software (in our case, MATLAB-Simulink).

electromagnetic transient simulation↗
DOE OSTI2024

Equivalent-Circuit Models of Grid-Forming IBRs for Electromagnetic-Transient Simulations: Preprint

We derive equivalent-circuit models of control- and physical-layer subsystems of grid-forming (GFM) inverter-based resources (IBRs) for electromagnetic-transient (EMT) simulations. Three different primary controllers are considered: droop, virtual synchronous machine (VSM), and dispatchable virtual oscillator control (dVOC). In addition, the models include cascaded voltage- and current-control loops, and LCL output filters. Simulations for a single-inverter setup and for a network of five inverters in a modified IEEE 14-bus topology are presented. The equivalent-circuit models simulated with analog electronic circuit-simulator software (in our case, LTspice) offer the same accuracy with up to 150x lower computational burden compared to block-diagram-based implementations in commercial off-the-shelf EMT software (in our case, MATLAB-Simulink).

circuit-equivalent model↗
DOE OSTI2023

Kullback–Leibler Divergence of an Open-Queuing Network of a Cell-Signal-Transduction Cascade

Queuing networks (QNs) are essential models in operations research, with applications in cloud computing and healthcare systems. However, few studies have analyzed the cell’s biological signal transduction using QN theory. This study entailed the modeling of signal transduction as an open Jackson’s QN (JQN) to theoretically determine cell signal transduction, under the assumption that the signal mediator queues in the cytoplasm, and the mediator is exchanged from one signaling molecule to another through interactions between the signaling molecules. Each signaling molecule was regarded as a network node in the JQN. The JQN Kullback–Leibler divergence (KLD) was defined using the ratio of the queuing time (λ) to the exchange time (μ), λ/μ. The mitogen-activated protein kinase (MAPK) signal-cascade model was applied, and the KLD rate per signal-transduction-period was shown to be conserved when the KLD was maximized. Our experimental study on MAPK cascade supported this conclusion. This result is similar to the entropy-rate conservation of chemical kinetics and entropy coding reported in our previous studies. Thus, JQN can be used as a novel framework to analyze signal transduction.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Damage buildup in multilayer hexagonal boron nitride films under Ar ion bombardment

Ion irradiation can be used to modify properties of two-dimensional hexagonal boron nitride (2D-hBN). However, the behavior of multilayer 2D-hBN under ion bombardment remains essentially unexplored. Here, in this study, we systematically study the damage buildup in 40-nm-thick multilayer 2D-hBN films irradiated at room temperature with 500 keV Ar ions with doses up to 0.64 displacements per atom. Transmission electron microscopy, soft X-ray absorption spectroscopy, and Raman spectroscopy are employed to study effects of ion irradiation. Results reveal a monotonic buildup of damage that can be described by the phenomenological zero cascade overlap model. Compared to the behavior of other group-III nitride semiconductors, radiation damage in hBN is influenced by polymorphism, involving transitions between bonding configurations of hexagonal, cubic, and amorphous phases.

Seo, M. [Lawrence Livermore National Laboratory (L↗
DOE OSTI2023

Human‐induced salinity changes impact marine organisms and ecosystems

Abstract Climate change is fundamentally altering marine and coastal ecosystems on a global scale. While the effects of ocean warming and acidification on ecology and ecosystem functions and services are being comprehensively researched, less attention is directed toward understanding the impacts of human‐driven ocean salinity changes. The global water cycle operates through water fluxes expressed as precipitation, evaporation, and freshwater runoff from land. Changes to these in turn modulate ocean salinity and shape the marine and coastal environment by affecting ocean currents, stratification, oxygen saturation, and sea level rise. Besides the direct impact on ocean physical processes, salinity changes impact ocean biological functions with the ecophysiological consequences are being poorly understood. This is surprising as salinity changes may impact diversity, ecosystem and habitat structure loss, and community shifts including trophic cascades. Climate model future projections (of end of the century salinity changes) indicate magnitudes that lead to modification of open ocean plankton community structure and habitat suitability of coral reef communities. Such salinity changes are also capable of affecting the diversity and metabolic capacity of coastal microorganisms and impairing the photosynthetic capacity of (coastal and open ocean) phytoplankton, macroalgae, and seagrass, with downstream ramifications on global biogeochemical cycling. The scarcity of comprehensive salinity data in dynamic coastal regions warrants additional attention. Such datasets are crucial to quantify salinity‐based ecosystem function relationships and project such changes that ultimately link into carbon sequestration and freshwater as well as food availability to human populations around the globe. It is critical to integrate vigorous high‐quality salinity data with interacting key environmental parameters (e.g., temperature, nutrients, oxygen) for a comprehensive understanding of anthropogenically induced marine changes and its impact on human health and the global economy.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A Comprehensive Numerical and Experimental Study for the Passive Thermal Management in Battery Modules and Packs

Cooling plates in battery packs of electric vehicles play critical roles in passive thermal management systems to reduce risks of catastrophic thermal runaway. In this work, a series of numerical simulations and experiments are carried out to unveil the role of cooling plates (both between cells and a bottom plate parallel to the cell stack) on the thermal behavior of battery modules and packs under nail penetrations. First, we investigated the role of side cooling plates on the thermal runaway propagation mitigation in battery modules (1S3P) and packs (3S3P) by varying the key parameters of the side cooling plates, such as plate thicknesses, thermal contact resistances, and materials. Then, three important factors for passive thermal management systems are identified: (i) thermal mass of side cooling plates, (ii) interfacial thermal contact resistances, and (iii) the effective heat transfer coefficients at exterior surfaces. The roles of bottom cooling plates on thermal runaway propagation mitigation in 1S3P and 1S5P battery modules are numerically investigated by comparing the thermal behavior of the modules with only side cooling plates and with both side and bottom cooling plates.

25 ENERGY STORAGE↗
DOE OSTI2020

High-Efficiency Model Predictive Control for Star-Connected Cascaded H-Bridge STATCOM Under Unbalanced Conditions

This paper presents a high-efficiency model predictive control (HMPC), which is enabled by a sorting approach based on dc capacitor voltages to significantly reduce the exponentially-increasing switching states in cascaded Hbridge (CHB) converters. In addition, a generic discrete-time prediction model for star-connected CHB static synchronous compensator is proposed to address the issues due to either grid and/or load unbalances. Both simulation and hardware-in-loop experimental results are presented to validate the feasibility and effectiveness of the proposed HMPC strategy.

Li, Yufei↗
DOE OSTI2024

Exploring Multidimensional Spatial-Temporal Hydropower Operational Flexibilities by Modeling and Optimizing Water-Constrained Cascading Hydroelectric Systems

Because of unique characteristics such as clean and cost-competitive electricity as well as fast-ramping and storage abilities, the power industry continues to evolve its operation strategies for cascading hydroelectric (CHE) systems for providing enhanced values to the grid, especially under the deeper renewable resource integration. However, existing operation practices of CHEs predate the integration of renewables, which could prohibit the effective utilization of their inherent flexibilities in delivering maximum financial benefits and providing valuable grid services to the power system and electricity market operations. Indeed, modeling and optimizing these resource-limited while flexible CHE assets with uncertainties and imperfect information across multiple spatial-temporal dimensions present significant challenges. To facilitate CHE facility operators in effectively coordinating water usage and hydropower plant operations across multiple timescales, this project aims to fill the existing gaps by developing a suite of accurate water inflow (WI) forecast models as well as enhanced CHE modeling and optimization approaches with proper consideration of their unique characteristics, which would help explore their multidimensional spatial-temporal operational flexibility potentials. The developed approaches could better align reservoir operation strategies with variability and uncertainty of future water availability. They can also promote more effective utilization of multidimensional spatial-temporal hydropower operational flexibility potentials by designing long-term evacuation plans of reservoirs and short-term operation of CHEs, along with their coordination with other types of renewables. The project leverages various resources to facilitate the research and development activities, including actual characteristics data of CHE systems and a library of current and future cases of Portland General Electric (PGE). These realistic data enable the project team to study how to maximize the value of CHEs under current and future portfolios and evaluate opportunities to improve operation practices.

13 HYDRO ENERGY↗
DOE OSTI2025

Efficient Simulation of Cascading Outages Using an Energy Function-Embedded Quasi-Steady-State Model

Here, this paper proposed an energy function-embedded quasi-steady-state model for efficient simulation of cascading outages on a power grid while addressing transient stability concerns. Compared to quasi-steady-state models, the proposed model incorporates short-term dynamic simulation and an energy function method to efficiently evaluate the transient stability of a power grid together with outage propagation without transient stability simulation. Cascading outage simulation using the proposed model conducts three steps for each disturbance such as a line outage. First, it performs time-domain simulation for a short term to obtain a post-disturbance trajectory. Second, along the trajectory, the system state with the local maximum potential energy is found and used as the initial point to search for a relevant unstable equilibrium by Newton's method. Third, the transient energy margin is estimated based on this unstable equilibrium to predict an out-of-step condition with generators. The proposed energy function-embedded quasi-steady-state model is tested in terms of its accuracy and time performance on an NPCC 140-bus power system and compared to a quasi-steady-state model embedding transient stability simulation.

Guo, Zhenping [Univ. of Tennessee, Knoxville, TN (↗
DOE OSTI2021

Density-Matrix Model for Photon-Driven Transport in Quantum Cascade Lasers

In this report we develop a time-dependent density-matrix model to study photon-assisted (PA) electron transport in quantum cascade lasers. The Markovian equation of motion for the density matrix in the presence of an optical field is solved for an arbitrary field amplitude. Level-broadening terms emerge from microscopic Hamiltonians and supplant the need for empirical parameters that are often employed in related approaches. We show that, in quantum cascade lasers with diagonal design, photon resonances have a pronounced impact on electron dynamics around and above the lasing threshold, an effect that stems from the large spatial separation between the upper and lower lasing states. With the inclusion of PA tunneling, the calculated current density and output power are in good agreement with experiment.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Evaluating an Earth system model from a water manager perspective

Abstract. The large spatial scale of global Earth system models (ESMs) is often cited as an obstacle to using the output by water resource managers in localized decisions. Recent advances in computing have improved the fidelity of hydrological responses in ESMs through increased connectivity between model components. However, the models are seldom evaluated for their ability to reproduce metrics that are important for and resonate with practitioners or that allow practitioners to situate higher-resolution model outputs within a cascade of uncertainty stemming from different models and scenarios. We draw on the combined experience of the author team and water manager workshop participants to identify salient water management metrics and evaluate whether they are credibly reproduced over the conterminous USA by the Community Earth System Model v2 (CESM2) Large Ensemble. We find that, while the exact values may not match the observations, aspects such as interannual variability can be reproduced by CESM2 for the mean wet day precipitation and length of dry spells. CESM2 also captures the proportion of total annual precipitation that derives from the heaviest rain days in watersheds that are not snow-dominated. Aggregating the 7 d mean daily runoff to two-digit Hydrological Unit Code (HUC2) watersheds also shows that rain-dominated regions capture the timing and interannual variability of annual maximum and minimum flows. We conclude that there is potential for far greater use of large-ensemble ESMs, such as CESM2, in long-range water management decisions to supplement high-resolution regional projections.

Tye, Mari R. (ORCID:0000000324911020)↗
DOE OSTI2023

Computational modeling and validation of a modified Marple cascade impactor

Oak Ridge National Laboratory (ORNL) is investigating respirable aerosol fractions from failed high-burnup (HBU) commercial spent nuclear fuel (CSNF) rods (Montgomery et al., 2022). The work aims to characterize the source term of radioactive aerosols that could result from mechanical failure and handling of failed fuel rods during storage and/or transportation. The experiment involves capturing and characterizing aerosols from a four-point bending experiment of fueled rod segments at ORNL’s Irradiated Fuels Examination Laboratory (IFEL). For this, a Marple cascade impactor (Series 290) with the ability to collect particles up to aerodynamic equivalent diameters of ~15 μm was tested for feasibility. The commercially available Marple cascade impactor design was modified for the experiment, where the cascade inlet was replaced with a 3D printed inlet nozzle. Collection efficiency curves were then generated with the modified impactor, and the cascade’s performance was tested using ISO dust capture experiments followed by SEM analysis of the collection and computational modeling. The current work highlights the performance testing and experimental validation of this modified Marple Impactor for spent nuclear fuel aerosol collection.

Kumar, Vineet↗
DOE OSTI2025

Spatially Patterned Architectures to Modulate CO 2 Reduction Cascade Catalysis Kinetics

Electrochemical CO 2 reduction using renewable sources of electrical energy holds promise for converting CO 2 into fuels and chemicals. The complex interactions among chemical/electrochemical reactions and mass transport make it difficult to analyze the effect of an individual process on electrode performance based only on experimental methods. Here, we developed a generalized steady-state simulation to describe an electrode surface in which sequential cascade catalysts are patterned in a periodic trench design. If appropriately constructed, this trench geometry is hypothesized to be able to yield a higher net current density for a CO 2 reduction (CO 2 R) cascade reaction. We have used realistic experimental reaction kinetics to investigate the role of trench geometry in mass transport, local microenvironments, and selectivity for a model CO 2 R cascade reaction. The model considers local concentration gradients of bicarbonate species at quasi-equilibrium and catalytic surface reactions based on concentration-dependent Butler–Volmer kinetics. Our results suggest that varying the spatial distribution of active sites plays a significant role in facilitating effective mass transport between active sites, modulating selectivity for the cascade reaction, and enhancing the yield of desirable cascade products. Moreover, we observe that this trench geometry significantly alters the cascade reaction rate by affecting the local pH, which can cause inadvertent depletion of available aqueous CO 2 to limit the CO 2 R cascade kinetics and modest suppression of the hydrogen evolution reaction (HER). The results highlight the trade-offs between mass transport, pH, and reaction kinetics that become apparent only when considering the coupled physics of all processes at the electrode surface. Here, this model can thus serve as a primary tool to build more selective and efficient patterned architectures for the CO 2 R cascade catalysis.

CO2 reduction↗
DOE OSTI2025

Flux effects in precipitation under irradiation simulation of Fe-Cr alloys

Radiation-enhanced precipitation of Cr-rich α’ in irradiated Fe-Cr alloys, which results in hardening and embrittlement, depends on the irradiating particle and the displacement per atom (dpa) rate. Here, we utilize a Cahn-Hilliard phase-field based approach, that includes simple models for nucleation, irradiating particle and rate dependent radiation-enhanced diffusion and cascade mixing to simulate α’ evolution under neutrons, heavy ions, and electron irradiations. Different irradiating particles manifest very different cascade mixing efficiencies. The model was calibrated using neutron data. For cascade inducing neutron/heavy-ion dpa rates at 300 °C between 10-8 and 10-6 dpa/s the model predicts approximately constant number density, decreasing radius, decreasing α’ Cr composition, and lower α’ volume fraction. The model then predicts a dramatic transition to no α’ formation above approximately 10-5 dpa/s, while electron irradiation, with weak mixing, had little effect at dpa rates up to 10-3 dpa/s. These model predictions are consistent with experiments. We explain the results in terms of the flux dependence of the radiation enhanced diffusion, cascade mixing, and their ratio, which all vary significantly in relevant flux ranges for neutron and cascade inducing ion irradiations. These results show that both cascade mixing and radiation enhanced diffusion must be accounted for when attempting to emulate neutron-irradiation effects using accelerated ion irradiations.

Ke, Jia-Hong↗
DOE OSTI2024

Superhydrophobic Array Devices for the Enhanced Formation of 3D Cancer Models

During the metastatic cascade, cancer cells travel through the bloodstream as circulating tumor cells (CTCs) to a secondary site. Clustered CTCs have greater shear stress and treatment resistance, yet their biology remains poorly understood. We therefore engineered a tunable superhydrophobic array device (SHArD). The SHArD-C was applied to culture a clinically relevant model of CTC clusters. Using our device, we cultured a model of cancer cell aggregates of various sizes with immortalized cancer cell lines. These exhibited higher E-cadherin expression and are significantly more capable of surviving high fluid shear stress-related forces compared to single cells and model clusters grown using the control method, helping to explain why clustering may provide a metastatic advantage. Additionally, the SHArD-S, when compared with the AggreWell 800 method, provides a more consistent spheroid-forming device culturing reproducible sizes of spheroids for multiple cancer cell lines. Overall, we designed, fabricated, and validated an easily tunable engineered device which grows physiologically relevant three-dimensional (3D) cancer models containing tens to thousands of cells.

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

Learning the structure of wind: A data-driven nonlocal turbulence model for the atmospheric boundary layer

In this work, we develop a novel data-driven approach to modeling the atmospheric boundary layer. This approach leads to a nonlocal, anisotropic synthetic turbulence model which we refer to as the deep rapid distortion (DRD) model. Our approach relies on an operator regression problem that characterizes the best fitting candidate in a general family of nonlocal covariance kernels parameterized in part by a neural network. This family of covariance kernels is expressed in Fourier space and is obtained from approximate solutions to the Navier–Stokes equations at very high Reynolds numbers. Each member of the family incorporates important physical properties such as mass conservation and a realistic energy cascade. The DRD model can be calibrated with noisy data from field experiments. After calibration, the model can be used to generate synthetic turbulent velocity fields. To this end, we provide a new numerical method based on domain decomposition which delivers scalable, memory-efficient turbulence generation with the DRD model as well as others. We demonstrate the robustness of our approach with both filtered and noisy data coming from the 1968 Air Force Cambridge Research Laboratory Kansas experiments. Using these data, we witness exceptional accuracy with the DRD model, especially when compared to the International Electrotechnical Commission standard.

17 WIND ENERGY↗
DOE OSTI2022

Design of Phase-Change Thermal Storage Device in a Heat Pump for Building Electric Peak Load Shaving: Preprint

Replacing carbon-intensive fossil fuel heating systems with electric heat pumps powered by renewables is a promising approach to decarbonize the building sector. However, one of the technical barriers of this approach is the large scale of heat demand, which will put excessive stress on the electricity grid. Integrating thermal energy storage (TES) into the heating systems can help alleviate this problem, by shifting thermal load and thus shaving peaks in the building electric load. Therefore, it is critical to understand how to design a thermal storage device in a heat pump for peak load shaving. In this study, we developed a numerical model for a cascaded vapor compression heat pump system integrating a phase change thermal storage device. This novel system can control the net thermal charging and discharging rate of the TES independently from the building's thermal load, which allows for precise control of electric power use. In the current study, we controlled the system to shave building electric peak load during a cold winter morning, and to charge TES during the relatively warm afternoon while still providing space heating. We used the model to evaluate the system performance with and without peak shaving. We also investigated the effect of PCM transition Tt on the peak reduction and electric energy saving potentials. The results show that peak shaving scheme effectively reduces the peak electric power consumption during a predefined discharge time window. When comparing to the no shaving case, for PCM Tt = 10 degrees C, the peak electric load reduction is 23.5%. When comparing to an air-source heat pump with back up electric heater, as Tt increases from 0 to 20 degrees C, the peak reduction increases from 46.1% to 50.9%. Integrating PCM Tt = 10 degrees C with peak shaving leads to the 45.5% of electric energy saving, which is the highest among the three transition temperatures.

electric energy saving↗