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Results for “adaptive methods”
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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A techno-economic approach to guide the selection of flow recyclable ionic liquids for nanoparticle synthesis
An experimentally guided, early-stage techno-economic analysis reveals how ionic liquids can be economically adapted at scale through novel recycling methods to unlock their environmental benefits when used as solvents for nanoparticle syntheses.
Adaptive Fault Current-Limiting Control of MMC for Protection of Multiterminal HVDC Systems
A crucial requirement of the protection system for multi-terminal high-voltage DC (MTDC) transmission is that it is capable of selectively isolating the faulty area from the healthy part of the network using DC circuit breakers (DCCBs), while ensuring continuous operation of converter stations in the healthy part of the network. But in the half-bridge modular multilevel converters (HB-MMCs) based MTDC system, since HB-MMCs do not have fault current absorption capability, when a DC fault occurs, the rising fault currents can quickly reach the blocking threshold within a few milliseconds and disrupt the operation of the MMCs in the healthy part. To facilitate fault-ride-through capability of MTDC system, large DC reactors are often considered in series with DCCBs to reduce the rate of rise of the fault current and prevent blocking the MMCs in the healthy part of the DC networks; however, large DC reactors prohibitively increase the cost of the system, introduce stability issues and can create post-fault oscillations. This paper presents an adaptive fault current-limiting control method for MMCs to avoid their blocking and enable the continuous operation of the healthy part of MTDC systems. The method contains two parts: The first part is based on circulating current feedforward control, which emulates virtual reactors in each arm of an MMC, and is immediately activated when the fault current starts to increase to reduce the rate of rise of the fault current. The second part temporarily bypasses all the submodules when the fault current exceeds a preset threshold, complementing the fault current-limiting effect of the first part. Neither part requires fault detection signals, and they are automatically activated during faults. Simulation case studies of a four-terminal bipolar MMC-based high-voltage DC system are presented to demonstrate the effectiveness of the proposed control methods.
Graph convolutional networks applied to unstructured flow field data
Abstract Many scientific and engineering processes produce spatially unstructured data. However, most data-driven models require a feature matrix that enforces both a set number and order of features for each sample. They thus cannot be easily constructed for an unstructured dataset. Therefore, a graph based data-driven model to perform inference on fields defined on an unstructured mesh, using a graph convolutional neural network (GCNN) is presented. The ability of the method to predict global properties from spatially irregular measurements with high accuracy is demonstrated by predicting the drag force associated with laminar flow around airfoils from scattered velocity measurements. The network can infer from field samples at different resolutions, and is invariant to the order in which the measurements within each sample are presented. The GCNN method, using inductive convolutional layers and adaptive pooling, is able to predict this quantity with a validation R 2 above 0.98, and a Normalized Mean Squared Error below 0.01, without relying on spatial structure.
Reinforcement learning pulses for transmon qubit entangling gates
The utility of a quantum computer is highly dependent on the ability to reliably perform accurate quantum logic operations. For finding optimal control solutions, it is of particular interest to explore model-free approaches, since their quality is not constrained by the limited accuracy of theoretical models for the quantum processor—in contrast to many established gate implementation strategies. In this work, we utilize a continuous control reinforcement learning algorithm to design entangling two-qubit gates for superconducting qubits; specifically, our agent constructs cross-resonance and CNOT gates without any prior information about the physical system. Using a simulated environment of fixed-frequency fixed-coupling transmon qubits, we demonstrate the capability to generate novel pulse sequences that outperform the standard cross-resonance gates in both fidelity and gate duration, while maintaining a comparable susceptibility to stochastic unitary noise. We further showcase an augmentation in training and input information that allows our agent to adapt its pulse design abilities to drifting hardware characteristics, importantly, with little to no additional optimization. Our results exhibit clearly the advantages of unbiased adaptive-feedback learning-based optimization methods for transmon gate design.
Micro on a macroscale: relating microbial-scale soil processes to global ecosystem function
ABSTRACT Soil microorganisms play a key role in driving major biogeochemical cycles and in global responses to climate change. However, understanding and predicting the behavior and function of these microorganisms remains a grand challenge for soil ecology due in part to the microscale complexity of soils. It is becoming increasingly clear that understanding the microbial perspective is vital to accurately predicting global processes. Here, we discuss the microbial perspective including the microbial habitat as it relates to measurement and modeling of ecosystem processes. We argue that clearly defining and quantifying the size, distribution and sphere of influence of microhabitats is crucial to managing microbial activity at the ecosystem scale. This can be achieved using controlled and hierarchical sampling designs. Model microbial systems can provide key data needed to integrate microhabitats into ecosystem models, while adapting soil sampling schemes and statistical methods can allow us to collect microbially-focused data. Quantifying soil processes, like biogeochemical cycles, from a microbial perspective will allow us to more accurately predict soil functions and address long-standing unknowns in soil ecology.
Dark photon superradiance: Electrodynamics and multimessenger signals
We study the electrodynamics of a kinetically mixed dark photon cloud that forms through superradiance around a spinning black hole, and design strategies to search for the resulting multimessenger signals. A dark photon superradiance cloud sources a rotating dark electromagnetic field which, through kinetic mixing, induces a rotating visible electromagnetic field. Standard model charged particles entering this field initiate a transient phase of particle production that populates a plasma inside the cloud and leads to a system which shares qualitative features with a pulsar magnetosphere. We study the electrodynamics of the dark photon cloud with resistive magnetohydrodynamics methods applicable to highly magnetized plasma, adapting techniques from simulations of pulsar magnetospheres. We identify turbulent magnetic field reconnection as the main source of dissipation and electromagnetic emission, and compute the peak luminosity from clouds around solar-mass black holes to be as large as 10 43 erg/s for observationally allowed dark photon parameter space. The emission is expected to have a significant x-ray component and to potentially be periodic, with period set by the dark photon mass. The luminosity is comparable to the brightest x-ray sources in the Universe, allowing for searches at distances of up to hundreds of Mpc with existing telescopes. Finally, we discuss observational strategies, including targeted electromagnetic follow-ups of solar-mass black hole mergers and targeted continuous gravitational wave searches of anomalous pulsars.
Accelerating Multigrid-based Hierarchical Scientific Data Refactoring on GPUs
Rapid growth in scientific data and a widening gap between computational speed and I/O bandwidth make it increasingly infeasible to store and share all data produced by scientific simulations. Instead, we need methods for reducing data volumes: ideally, methods that can scale data volumes adaptively so as to enable negotiation of performance and fidelity tradeoffs in different situations. Multigrid-based hierarchical data representations hold promise as a solution to this problem, allowing for flexible conversion between different fidelities so that, for example, data can be created at high fidelity and then transferred or stored at lower fidelity via logically simple and mathematically sound operations. However, the effective use of such representations has been hindered until now by the relatively high costs of creating, accessing, reducing, and otherwise operating on such representations. We describe here highly optimized data refactoring kernels for GPU accelerators that enable efficient creation and manipulation of data in multigrid-based hierarchical forms. We demonstrate that our optimized design can achieve up to 250 TB/s aggregated data refactoring throughput—83% of theoretical peak—on 1024 nodes of the Summit supercomputer. We showcase our optimized design by applying it to a large-scale scientific visualization workflow and the MGARD lossy compression software.
Field-Aging Test Bed for Behind-the-Meter PV + Energy Storage
Small DC-coupled battery test systems are deployed at the National Renewable Energy Laboratory to evaluate capacity fade models and report on performance parameters such as round-trip efficiency under indoor and outdoor deployment scenarios. Initial commercial battery products include LG Chem RESU lithium-ion (Li-ion) and Avalon vanadium redox flow batteries. Adapting indoor lab-scale test methods to outdoor systems has challenges, including maintaining constant temperature and fully controlling batteries through standard discharge curves. Initial measurements show the Li-ion battery systems performing within expectations, near 85% round-trip efficiency. Initial lifetime modeling and measurements indicate that battery capacity could degrade by 20%-35% over 10 years at current rates.
Melting temperature measurement of refractory oxide ceramics as a function of oxygen fugacity using containerless methods
An aerodynamic conical nozzle levitator (CNL) has been used to measure the melting temperatures of refractory ceramics. The well-established method of cooling traces has been adapted to allow measurements for air-sensitive samples using a controlled atmosphere, where the oxygen partial pressure can be adjusted and monitored in real time. In this study, we explain the details of a system that we developed for use at the Spallation Neutron Source (Oak Ridge National Laboratory). Measurements of the melting behavior of (Fe,Cr,Al) 3 O 4 spinels were made between log (PO 2 (atm)) of -0.7 and -5. The melting temperature of hercynite is found to be oxygen potential dependent, ranging between 1692 and 1767°C at log (PO 2 ) values from -4.42 to -0.70.
Experimental Performance of a Nonlinear Control Strategy to Regulate Temperature of a High-Temperature Solar Reactor
Abstract Despite the significant potential of solar thermochemical process technology for storing solar energy as solid-state solar fuel, several challenges have made its industrial application difficult. It is important to note that solar energy has a transient nature that causes instability and reduces process efficiency. Therefore, it is crucial to implement a robust control system to regulate the process temperature and tackle the shortage of incoming solar energy during cloudy weather. In our previous works, different model-based control strategies were developed namely a proportional integral derivative controller (PID) with gain scheduling and adaptive model predictive control (MPC). These methods were tested numerically to regulate the temperature inside a high-temperature tubular solar reactor. In this work, the proposed control strategies were experimentally tested under various operation conditions. The controllers were challenged to track different setpoints (500 °C, 1000 °C, and 1450 °C) with different amounts of gas/particle flowrates. Additionally, the flow controller was tested to regulate the reactor temperature under a cloudy weather scenario. The ultimate goal was to produce 5 kg of reduced solar fuel magnesium manganese oxide (MgMn2O4) successfully, and the controllers were able to track the required process temperature and reject disturbances despite the system's strong nonlinearity. The experimental results showed a maximum error in the temperature setpoint of less than 0.5% (6 °C), and the MPC controller demonstrated superior performance in reducing the control effort and rejecting disturbances.
Mobility-On-Demand Transportation: A System for Microtransit and Paratransit Operations
New rideshare and shared-mobility services have transformed urban mobility in recent years. Therefore, transit agencies are looking for ways to adapt to this rapidly changing environment. In this space, ridepooling has the potential to improve efficiency and reduce costs by allowing users to share rides in high-capacity vehicles and vans. Most transit agencies already operate various ridepooling services including microtransit and paratransit. However, the objectives and constraints for implementing these services vary greatly between agencies. This brings multiple challenges. First, off-the-shelf ridepooling formulations must be adapted for real-world conditions and constraints. Second, the lack of modular and reusable software makes it hard to implement and evaluate new ridepooling algorithms and approaches in real-world settings. Therefore, we propose an on-demand transportation scheduling software for microtransit and paratransit services. This software is aimed at transit agencies looking to incorporate state-of-the-art rideshare and ridepooling algorithms in their everyday operations. We provide management software for dispatchers and mobile applications for drivers and users. Lastly, we discuss the challenges in adapting state-of-the-art methods to real-world operations.
Computational study on the impact of gasoline-ethanol blending on autoignition and soot/NO x emissions under low-load gasoline compression ignition conditions
Here, in the present work, computational fluid dynamics (CFD) simulations of a single-cylinder gasoline compression ignition (GCI) engine are performed to investigate the impact of gasoline-ethanol blending on autoignition, nitrogen oxide (NO x ), and soot emissions under low-load conditions. In order to represent the test gasoline (RD5-87), a four-component toluene primary reference fuel (TPRF)+ethanol (ETPRF) surrogate (with 10% ethanol by volume; E10) is employed. A three-dimensional (3D) engine CFD model employing finite-rate chemistry with a skeletal kinetic mechanism (including NO x sub-mechanism), adaptive mesh refinement (AMR), and hybrid method of moments (HMOM) is adopted to capture the in-cylinder combustion phenomena and soot/NO x emissions. The engine CFD model is validated against experimental data for three gasoline-ethanol blends: E10, E30 and E100, with varying ethanol content by volume. Model validation is carried out for a broad range of start-of-injection (SOI) timings (−21, −27, −36, and −45 crank angle degrees (°CA) after top-dead-center (aTDC)) with respect to in-cylinder pressure, heat release rate, combustion phasing, NO x and soot emissions. For relatively later injection timings (−21 and −27 °CA aTDC), E30 yields higher amount of soot than E10; while the trend reverses for early injection cases (−36 and −45 °CA aTDC ). On the other hand, E100 yields the lowest amount of soot among all fuels irrespective of SOI timing. Further, E10 shows a non-monotonic trend in soot emissions with SOI timing: SOI-36>SOI-45>SOI-21>SOI-27, while soot emissions from E30 exhibit monotonic decrease with advancing SOI timing. NO x emissions from various fuels follow a trend of E10>E30>E100. On the other hand, NO x emissions increase as SOI timing is advanced for all fuels, with an anomaly for E10 and E100 where NO x decreases when SOI is advanced beyond −36 °CA aTDC. Detailed analysis of the numerical results is performed to investigate the soot/NO x emission trends and elucidate the impact of chemical composition and physical properties on autoignition and emissions characteristics.
SIERRA Multimechanics Module: Aria User Manual - Version 4.58
Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( %3C 1 ) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newtons method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic -adaptivity and dynamic load balancing are some of Arias more advanced capabilities.
SIERRA Multimechanics Module: Aria Thermal Theory Manual (V.5.0)
Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( Re < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newtons method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic -adaptivity and dynamic load balancing are some of Arias more advanced capabilities.
Project Title: Adaptive Vertical Grid Enhancement for E3SM (Final Technical Report)
During the first phase of the project (2018/05-2021/05), we proved the hypothesis that, without tuning, high vertical resolution improves the representation of unresolved, parameterized low altitude clouds such as stratocumulus clouds in global climate models. We evaluated the effectiveness of the newly developed computational framework, Framework for Improvement by Vertical Enhancement (FIVE) by implementing it into E3SM. FIVE aims to improve representation of the target cloud, low level cloud for this project, with use of a locally high vertical resolution for computation of selected processes. FIVE was assessed via direct comparison among E3SM, E3SM-FIVE, and satellite data as well as a newly developed ensemble artificial neural network methodology. We demonstrated that E3SM-FIVE remarkably improves marine stratocumulus representation. To advance the FIVE methodology, we took a first step toward the adaptive vertical grid in the FIVE method by modifying the E3SM single column model. For future application of FIVE to the global storm resolving model with a few km horizontal grid resolution, we developed the vertical-meridional two-dimensional (2D) Hadley circulation model, which allows one to run simulations with much higher vertical resolution and significantly longer duration than current three-dimensional global storm resolving model. During the second phase of the project (2021/05-2023/11; period for this technical report), we sought a way to appropriately transform FIVE to a regionalized version of FIVE, which allows one to select locations with/without FIVE. In parallel, we demonstrated that E3SM-FIVE with a 25-km mesh significantly reduced the bias associated with coastal stratocumulus. Furthermore, we showed that the same improvement was able to be obtained with the use of both the Regional Refined Model (RRM) targeted to one of the stratocumulus regions with 25-km resolution and FIVE. We explored a new implementation strategy of FIVE with our 2D Hadley circulation model. In parallel we applied the 2D Hadley circulation model to study the double intertropical convergence zone bias with storm resolving model resolution and aerosol-cloud interactions within the Hadley circulation with near large eddy simulation resolution. Last, we have been investigating Arctic mixed-phase stratocumulus clouds with large eddy simulations in order to improve their representation in global models. During the course of the entire project, 6 journal articles were published, and 3 manuscripts are currently in preparation. We gave a total of 30 presentations at various domestic and international conferences. In addition we gave 6 seminar talks at universities and a national laboratory. E3SM- FIVE is available as a branch of E3SM.
Live-Cell Quantum Dot-Based Tracking of Plant & Microbial Extracellular Vesicles
All cellular organisms examined to date release various types of small vesicles called extracellular vesicles (EVs). They were originally thought to be unimportant, but research into EVs as carriers of key messages for communication within large, multicellular organisms or between interacting organisms has gained interest in many different scientific areas of study. Recently, it was discovered that both plants and their pathogenic fungi generate EVs and they are important vehicles for sending plant signals to thwart invasion by fungal pathogens, and in response, fungi use EVs to help evade plant defenses. This project aimed to develop new ways to visualize EVs and their potential nucleic acid cargo isolated from the crop plant, sorghum. We adapted a click chemistry-based method for making quantum dot-based RNA sensors, which will be a useful tool for others studying small RNAs. These sensors were not used detect RNA in sorghum EVs because unlike EVs from Arabidopsis, sorghum EVs were not enriched for specific small RNAs. This interesting difference shifted the project in an exciting direction, which focused on comparing EV proteomes. Our study discovered that greater than 60% of Arabidopsis EV proteins were also found in the sorghum EV proteome, revealing a partial conservation between a eudicot and monocot plant. These studies have raised new, fundamental questions on the conserved function of EVs in plants.
Accelerating Multigrid-based Hierarchical Scientific Data Refactoring on GPUs
Rapid growth in scientific data and a widening gap between computational speed and I/O bandwidth make it increasingly infeasible to store and share all data produced by scientific simulations. Instead, we need methods for reducing data volumes: ideally, methods that can scale data volumes adaptively so as to enable negotiation of performance and fidelity tradeoffs in different situations. Multigrid-based hierarchical data representations hold promise as a solution to this problem, allowing for flexible conversion between different fidelities so that, for example, data can be created at high fidelity and then transferred or stored at lower fidelity via logically simple and mathematically sound operations. However, the effective use of such representations has been hindered until now by the relatively high costs of creating, accessing, reducing, and otherwise operating on such representations. We describe here highly optimized data refactoring kernels for GPU accelerators that enable efficient creation and manipulation of data in multigrid-based hierarchical forms. We demonstrate that our optimized design can achieve up to 250 TB/s aggregated data refactoring throughput—83% of theoretical peak—on 1024 nodes of the Summit supercomputer. We showcase our optimized design by applying it to a large-scale scientific visualization workflow and the MGARD lossy compression software.