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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 163 records · Page 9

Model Predictive Control for a Grid-interactive Efficient Thermal Storage-integrated Heat Pump System

Building heating and cooling systems can be used to overcome the mismatch between the intermittent supply of renewable power and the fluctuating demand for electricity. A novel underground thermal energy storage integrated with a dual-source heat pump has been proposed to mitigate the mismatch while meeting the thermal demand of buildings efficiently. Conventional thermostat control with heuristic rules cannot provide intelligent decisions to maximize the thermal efficiency and flexibility of the proposed system. Advanced control strategies like model predictive control (MPC) have provided a new paradigm for grid-interactive efficient building operation with the advancement of computation and sensing. This study developed an MPC for the proposed system to provide grid service for Demand Side Management and minimize the operating cost of building owners. A control-oriented dynamic model of the proposed system has been developed. Given an objective function and proper constraints, an optimization problem is formulated to determine the optimal control strategy of the system. Dynamic Programming is adopted to solve the optimization problem. A rule-based control (RBC) is also developed to achieve similar goals. Short-term simulations are conducted to compare the system performance resulting from the two controls. The simulation results indicate that the MPC performs more intelligently than the RBC in charging thermal energy storage and selecting heat pump sources by taking advantage of the predicted cooling demands of the building and the performance of the integrated system. As a result, the MPC could save energy and reduce operating costs compared with the RBC. A case study shows that, for a 3-day operation, the MPC saves 36.9% energy and reduces 38.5% operating cost compared with the RBC.

Shi, Liang↗

Data-driven cyber attack detection and mitigation for decentralized wide-area protection and control in smart grids

Modern power systems have already evolved into complicated cyber physical systems (CPS), often referred to as smart grids, due to the continuous expansion of the electrical infrastructure, the augmentation of the number of heterogeneous system components and players, and the consequential application of a diversity of information and telecommunication technologies to facilitate the Wide Area Monitoring, Protection and Control (WAMPAC) of the day-to-day power system operation. Because of the reliance on cyber technologies, WAMPAC, among other critical functions, is prone to various malicious cyber attacks. Successful cyber attacks, especially those sabotage the operation of Bulk Electric System (BES), can cause great financial losses and social panics. Application of conventional IT security solutions is indispensable, but it often turns out to be insufficient to mitigate sophisticated attacks that deploy zero-day vulnerabilities or social engineering tactics. To further improve the resilience of the operation of smart grids when facing cyber attacks, it is desirable to make the WAMPAC functions per se capable of detecting various anomalies automatically, carrying out adaptive activity adjustments in time and thus staying unimpaired even under attack. Most of the existing research efforts attempt to achieve this by adding novel functional modules, such as model-based anomaly detectors, to the legacy centralized WAMPAC functions. In contrast, this dissertation investigates the application of data-driven algorithms in cyber attack detection and mitigation within a decentralized architecture aiming at improving the situational awareness and self-adaptiveness of WAMPAC. First part of the research focuses on the decentralization of System Integrity Protection Scheme (SIPS) with Multi-Agent System (MAS), within which the data-driven anomaly detection and optimal adaptive load shedding are further explored. An algorithm named as Support Vector Machine embedded Layered Decision Tree (SVMLDT) is proposed for the anomaly detection, which provides satisfactory detection accuracy as well as decision-making interpretability. The adaptive load shedding is carried out by every agent individually with dynamic programming. The load shedding relies on the load profile propagation among peer agents and the attack adaptiveness is accomplished by maintaining the historical mean of load shedding proportion. Load shedding only takes place after the consensus pertaining to the anomaly detection is achieved among all interconnected agents and it serves the purpose of mitigating certain cyber attacks. The attack resilience of the decentralized SIPS is evaluated using IEEE 39 bus model. It is shown that, unlike the traditional centralized SIPS, the proposed solution is able to carry out the remedial actions under most Denial of Service (DoS) attacks. The second part investigates the clustering based anomalous behavior detection and peer-assisted mitigation for power system generation control. To reduce the dimensionality of the data, three metrics are designed to interpret the behavior conformity of generator within the same balancing area. Semi-supervised K-means clustering and a density sensitive clustering algorithm based on Hierarchical DBSCAN (HDBSCAN) are both applied in clustering in the 3D feature space. Aiming to mitigate the cyber attacks targeting the generation control commands, a peer-assisted strategy is proposed. When the control commands from control center is detected as anomalous, i.e. either missing or the payload of which have been manipulated, the generating unit utilizes the peer data to infer and estimate a new generation adjustment value as replacement. Linear regression is utilized to obtain the relation of control values received by different generating units, Moving Target Defense (MTD) is adopted during the peer selection and 1-dimensional clustering is performed with the inferred control values, which are followed by the final control value estimation. The mitigation strategy proposed requires that generating units can communicate with each other in a peer-to-peer manner. Evaluation results suggest the efficacy of the proposed solution in counteracting data availability and data integrity attacks targeting the generation controls. However, the strategy stays effective only if less than half of the generating units are compromised and it is not able to mitigate cyber attacks targeting the measurements involved in the generation control.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Machine Learning for Well Log Analysis in Uranium Mining

This project explores the use of Artificial Intelligence (AI) and Machine Learning (ML) techniques to automate well log analysis for uranium mining. Geophysical log data—spontaneous potential, resistivity, and gamma ray—were used to classify lithology, correlate well logs and identify roll front zonation patterns, which are critical for locating uranium ore bodies. Supervised ML algorithms such as eXtreme Gradient Boosting (XGBoost), Categorical Boosting (CatBoost), and Random Forest were trained to classify lithology with high accuracy. Gradient Boosting Machines (GBM), XGBoost, Random Forest, and Neural Networks were also used for role front zone identification. Moreover, a Fast Dynamic Time Warping (FastDTW) algorithm was employed for well log correlation. Additionally, sample lag was addressed using dynamic programming. Results demonstrate the potential of AI and ML to streamline well log analysis and enhance uranium exploration workflows.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Control of Dipolar Dynamics by Geometrical Programming

We propose and theoretically analyze methods for quantum many-body control through geometric reshaping of molecular tweezer arrays. Dynamic rearrangement during entanglement is readily available due to the extended coherence times of molecular rotational qubits. We show how motional dephasing can be suppressed and enhanced spin squeezing can be achieved in an actively rearranged short-range XY model. We also analyze in detail a specific static geometry that significantly suppresses decoherence. These general methods as applied to programmable quantum systems offer robust control modalities that are well suited to molecules.

optical tweezers↗

Testing and Expertise for Marine Energy (TEAMER) Program Support: MRE Dynamic Seals Performance Investigation (CRADA Final Report)

This TEAMER project allows NREL to use and augment a custom special-purpose testing system to perform accelerated-life testing of rotating seals for use in the Marine Renewable Energy (“MRE”) industry. The requirements of this industry are different from most applications including marine, and relevant performance information is lacking. In order to achieve low costs with extremely effective and reliable operation over long periods deployed underwater, more study of the best seals and arrangements of seals must be performed. By developing a rigorous framework for such testing, NREL hopes to greatly improve understanding of the relevant factors and provide significant data to the industry. Further, this work can inform standards developments for this critical component of MRE systems, leading to maturation and improved acceptance of the industry in commerce.

16 TIDAL AND WAVE POWER↗

DXRD : a user-friendly suite of two- and multiple-beam dynamical X-ray diffraction programs

The DXRD program suite consisting of a series of dynamical theory programs is introduced for computing dynamical X-ray diffraction from single crystals. Its interactive graphical user interfaces (GUIs) allow general users to make complicated calculations with minimal effort. It can calculate plane-wave Darwin curves of single crystals (or multiple crystals) for both the Bragg and Laue cases, including grazing-incidence diffraction and backward diffraction (with Bragg angles approaching 90°). It is also capable of simulating rocking curves for divergent incident X-ray beams with finite bandwidths. A unique feature of DXRD is that it provides a convenient GUI-based multiple-beam diffraction program that can accurately compute arbitrary N-beam diffraction of any geometry using a universal 4N × 4N matrix method. DXRD also provides a mapping program for plotting all the multiple-beam diffraction lines (monochromator glitches) in the azimuth–energy coordinate system. All these functions make DXRD a convenient and powerful software tool for designing crystal-based synchrotron/X-ray optics (monochromators, analyzers, polarizers, phase plates etc.) and for crystal characterization, X-ray spectroscopy and X-ray diffraction teaching.

Bragg reflection↗

Implementation of ISO 50001 at Marine Corps Air Station Beaufort

The ISO 50001 implementation demonstration at U.S. Marine Corps Air Station (MCAS) Beaufort proved the feasibility of integrating an ISO 50001-conforming EnMS into existing command structures. The approach of leveraging external experts in gap analysis, EnMS training, and technical assistance were effective. In addition, strong leadership commitment and personnel resources were critical for success. Addressing typical personnel rotations by training newly rotated personnel and partnering key leadership positions in the EnMS structure with civilian counterparts can ensure program continuity. The project team brought forward many creative solutions that address the unique challenges for the Marine Corps and has paved the way for future Marine Corps EnMS implementations with example strategies and work products. Implementation of an ISO 50001 EnMS at additional Marine Corps facilities could provide for integration of base energy-related data systems and standardized energy reporting, using meaningful metrics for energy performance improvement. Beyond the energy performance improvement benefits of ISO 50001, widespread adoption of the standard at Marine Corps facilities would provide the communication and integration basis on which to reduce energy resiliency concern and could integrate energy service cyber security protections base wide. High levels of energy consumption, aggressive mandates from multiple sources, complex organizational structures, and constant personnel rotation make ISO 50001 a uniquely attractive proposition for the Marine Corps in support of the DoD’s overall energy strategy. The recently launched Energy Ethos and Unit Energy Manager (UEM) programs offer dynamic action-based programs over which ISO 50001 based business management can provide integrated governance of the Marine Corps installations’ energy programs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

How Do Electricity Pricing Programs Impact the Selection of Energy Efficiency Measures? - A Case Study with U.S. Medium Office Buildings

Building owners usually select energy efficiency measures (EEMs) by referring to return on investment (ROI). Current studies tend to apply static energy price to estimate ROI. However, more and more buildings are adopting dynamic electricity pricing programs. To understand how electricity pricing programs impact the selection of EEMs, this paper presents an analysis of the ROIs of EEMs under different pricing programs using U.S. medium office buildings as an example. Eight EEMs in four typical cities are selected as case studies. Considering five electricity pricing programs scenarios (one static program and four dynamic programs), EEMs are selected based on their ROIs. The main findings are: (1) The ROIs of EEMs change under different pricing programs. (2) In Honolulu, Buffalo, and Denver, replacing interior fixtures with higher-efficiency fixtures has a significantly higher ROI than the rest EEMs under all five pricing programs. However, the ROI of this EEM in Honolulu ranges from 28% to 47% for different pricing programs. (3) Similarly, in Fairbanks, replace heating coil with higher-efficiency coil produce higher ROI than the rest under all five pricing programs. (4) For other EEMs, their ROI rankings vary according to electricity pricing programs.

demand response↗

COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and Dynamics

The COLUMBUS program system provides the tools for performing high-level multireference (MR) computations, including the multireference configuration interaction (MRCI) method and its multireference averaged quadratic coupled cluster (MR-AQCC) extension, allowing computations on a wide range of fascinating atomic and molecular systems, including the treatment of open-shells and complicated excited state phenomena. The inclusion of spin−orbit coupling (SOC) directly within the MRCI step enables the description of systems containing heavy elements, such as lanthanides and actinides, whose properties are strongly influenced by SOC. Analytic energy gradients and nonadiabatic couplings at the correlated MRCI level provide the foundation for a variety of dynamics studies, giving insight into ultrafast photochemistry. New and ongoing method developments in COLUMBUS include the computation of spin densities, improved descriptions of ionic states, enhancements to the AQCC method, and the porting of COLUMBUS to graphical processing units (GPUs). New external interfaces enable an enhanced description of electronic resonances and molecules in strong laser fields. This work highlights these new developments while providing a detailed account of the diverse applications of COLUMBUS in recent years.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Succession of Cloud, Precipitation, Aerosol and Air Quality Field Experiments in the Coastal Urban Environment

The interactions and feedbacks among clouds, aerosols, pollutants, and the thermodynamic and kinematic environment remains an area of active research with important implications for our understanding of climate, weather and air quality. These linkages are further complicated in coastal and urban environments where local circulations and anthropogenic influences impact each of these components and their interactions. Within this context, fundamental questions regarding the lifecycle of convective clouds, aerosols and pollutants have brought together a diverse, integrated, and interagency collaboration of scientists to collect and analyze measurements, in the Houston, Texas, area, from the summer of 2021 through the summer of 2022, with subsequent modeling studies to address these important research objectives. Herein, the U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) Facility and Atmospheric System Research (ASR) Program, the National Science Foundation’s (NSF) Physical and Dynamic Meteorology Program, the National Aeronautic and Space Administration’s (NASA’s) Tropospheric Composition Research and Health and Air Quality Applied Sciences Programs and the Texas Commission on Environmental Quality (TCEQ) are collaborating on a joint set of field campaigns to study the interactions of cloud, aerosol, and pollutants within the coastal, urban environment. In the Houston area, onshore flow from the Gulf of Mexico and the associated sea breeze circulation generates numerous isolated convective cells, particularly in the summer months, that interact with a variety of urban and industrial emissions.

54 ENVIRONMENTAL SCIENCES↗

Multistage distributionally robust mixed-integer programming with decision-dependent moment-based ambiguity sets

We study multistage distributionally robust mixed-integer programs under endogenous uncertainty, where the probability distribution of stage-wise uncertainty depends on the decisions made in previous stages. We first consider two ambiguity sets defined by decision-dependent bounds on the first and second moments of uncertain parameters and by mean and covariance matrix that exactly match decision-dependent empirical ones, respectively. For both sets, we show that the subproblem in each stage can be recast as a mixed-integer linear program (MILP). Moreover, we extend the general moment-based ambiguity set in to the multistage decision-dependent setting, and derive mixed-integer semidefinite programming (MISDP) reformulations of stage-wise subproblems. We develop methods for attaining lower and upper bounds of the optimal objective value of the multistage MISDPs, and approximate them using a series of MILPs. We deploy the Stochastic Dual Dynamic integer Programming (SDDiP) method for solving the problem under the three ambiguity sets with risk-neutral or risk-averse objective functions, and conduct numerical studies on multistage facility-location instances having diverse sizes under different parameter and uncertainty settings. Furthermore, our results show that the SDDiP quickly finds optimal solutions for moderate-sized instances under the first two ambiguity sets, and also finds good approximate bounds for the multistage MISDPs derived under the third ambiguity set. We also demonstrate the efficacy of incorporating decision-dependent distributional ambiguity in multistage decision-making processes.

97 MATHEMATICS AND COMPUTING↗

A bilevel multistage stochastic self-scheduling model with indivisibilities for trading in the continuous intraday electricity market

In this paper, we study the profit maximization problem of a virtual power plant trading in the continuous intraday electricity market. Our virtual power plant model is compatible with renewable, and thermal assets, covering a range of virtual power plants currently participating in energy markets. We model the trading problem as a bilevel multistage stochastic program. The upper level of the problem accounts for the profit maximization of the virtual power plant with explicit modeling of the technical constraints of the operational status of the thermal power plant including minimum start-up and shut-down times, ramp-up and ramp-down rates, and minimum generation level. The upper level also decides which continuous and indivisible (fill-or-kill) orders are submitted to the market. The lower-level problem accounts for the clearing of the continuous intraday market, i.e., matching of buy and sell orders. Because of the presence of fill-or-kill orders, the lower-level problem is mixed-integer, which prevents its direct conversion to a single-level problem using duality. In order to solve this challenging problem, we develop a convex-hull extended formulation for the lower-level problem, apply duality theory to obtain a single-level stochastic equivalent formulation, and employ McCormick envelopes to turn the problem into a multistage stochastic mixed-integer linear problem, which we solve using the stochastic dual dynamic integer programming algorithm. We conduct numerical experiments and analyze the optimal trading behavior of a virtual power plant trading in an ideal continuous market without arbitrage.

Bilevel multistage stochastic programming problem↗

Probing the Structure and Dynamics of Fluid Mixtures in Porous Materials Through Ultrafast Vibrational Spectro-Microscopy and Many-Body Molecular Dynamics

This research program focused on the characterization of both molecular structure and dynamics of aqueous solutions in various metal-organic frameworks (MOFs) and organic polymers that have recently been proposed for applications in water treatment technologies. This was accomplished by integrating ultrafast vibrational spectroscopy and microscopy, which are sensitive to local environments, molecular orientation, and dynamical couplings, with many-body molecular dynamics (MB-MD) simulations, which enable realistic modeling of aqueous systems and porous materials under different thermodynamic conditions. Our studies allowed for identifying the physical mechanisms and characterizing the underlying molecular interactions between water and host materials that determine the adsorption and transport processes of water in various MOFs and β-cyclodextrin polymers – prototypical examples of porous materials and polymers, that have recently been proposed for technological applications in water purification. By combining bulk- and surface-sensitive, spatially resolved ultrafast vibrational spectroscopy with MB-MD simulations, it was possible to gain broad insight into the structure and mobility of water under heterogeneous confinement at various length scales. In particular, measurements of surface- and bulk-sensitive vibrational spectra at single crystal level, integrated with MB-MD simulations were used to characterize domain-specific, structure–binding affinity relationships. Besides providing specific information about the behavior of aqueous solutions in prototypical MOFs and organic polymers for potential applications in water treatment technologies, our studies also provided fundamental insights into the properties of aqueous solutions in confined heterogeneous environments, which have broad implications in many areas, ranging from heterogeneous catalysis to oil recovery, ion transport processes, and reaction-diffusion processes in crowded systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Rewarding Grid-Friendly Behavior: Estimating the Potential Bill Reduction and Load Shifting Benefits of Dynamic Prices

Shifting electric load from times of peak demand can be a key strategy to slow price growth as reducing peak demand avoids the cost of upgrading generation, transmission and distribution infrastructure. Utilities are releasing time-varying prices, such as time of use rates or dynamic prices, to incentivize grid-friendly load shifting. New dynamic price programs provide insight into the true cost of operating electricity grids and the potential economic benefits of load shifting. Program developers and device manufacturers need to understand the economic opportunities in terms of 1) the variation in prices across hours, days, and seasons; 2) the change in utility bills for customers who don’t shift load; and 3) the potential load shifted and economic value of different technologies if manufacturers or aggregators deploy price-responsive controls. This paper estimates possible impacts of dynamic price adoption and load shifting controls if customers paid the dynamic rate from one pilot program. Statistical analysis of historical prices identified annual and seasonal metrics as well as representative price curves for each circuit in the pilot. Simulations for residential technologies with price-responsive controls including unitary heat pump water heaters, central multifamily heat pump water heaters, heating & cooling + storage systems, and pool pumps estimated the potential impacts of highly dynamic prices both with and without load shifting controls. Results showed the potential to reduce electricity costs on representative days by 42-94% and reduce consumption during times of high electricity prices by 63-100% compared to baseline operation for those flex-friendly devices.

Grant, Peter↗

Object Proxy Patterns for Accelerating Distributed Applications

Workflow and serverless frameworks have empowered new approaches to distributed application design by abstracting compute resources. However, their typically limited or one-size-fits-all support for advanced data flow patterns leaves optimization to the application programmer—optimization that becomes more difficult as data become larger. The transparent object proxy, which provides wide-area references that can resolve to data regardless of location, has been demonstrated as an effective low-level building block in such situations. Here we propose three high-level proxy-based programming patterns—distributed futures, streaming, and ownership—that make the power of the proxy pattern usable for more complex and dynamic distributed program structures. We motivate these patterns via careful review of application requirements and describe implementations of each pattern. As a result, we evaluate our implementations through a suite of benchmarks and by applying them in three meaningful scientific applications, in which we demonstrate substantial improvements in runtime, throughput, and memory usage.

Distributed Computing↗

Quasiclassical sampling and Wigner sampling of initial vibrational coordinates and momenta for polyatomic molecules in Monte Carlo molecular dynamics simulations

In a quasiclassical trajectory simulation, the vibrational modes are initialised with quantised vibrational energies, but vibrational phases are sampled by Monte Carlo. This requires an algorithm to assign coordinates and momenta to the various atoms. In this work, we present two methods for implementing this for nonrotating polyatomic molecules, namely, fixed-energy vibrational-state-selected initial conditions and thermal initial conditions. We also present a method for initiating classical trajectories with a ground-state Wigner distribution. These vibrational treatments are sufficient to initialise trajectories for unimolecular processes, and we also show how they can be applied to simulate bimolecular collision processes. The treatments of unimolecular and bimolecular collision processes are available in two Python codes called wigner_state_selected.py and bimolecular_collision.py, respectively, which will generate initial condition files that are recognisable by the SHARC and SHARC-MN computer programs for dynamics calculations. Both codes are available as standalone programs, as well as being included in SHARC-MN, and they will be included in future versions of SHARC. Here, the methods implemented in these codes are mostly also available in the ANT computer program, and those that are not available in ANT will be incorporated in future versions of ANT.

Wigner distribution↗

Multi-objective optimization with an integrated electromagnetics and beam dynamics workflow

In particle accelerators, RF cavities are used to accelerate charged particle beams to designed high energy for physical applications. In a typical accelerator design, the optimization of RF cavities and the optimization of beam dynamics are carried out in separate studies. For a more general and unrestricted accelerator design, a coupled optimization of the RF cavities and the beam parameters is required. For this coupled optimization problem, we have developed an integrated electromagnetics and beam dynamics workflow management system. Within this system, the geometries for a set of cavity components are first adjusted; the field modes are then computed with an electromagnetics program, and imported into a beam dynamics program for beam dynamics simulation. This workflow is encapsulated into a parallel multi-objective optimizer to achieve the integrated accelerator design optimization. A multi fidelity strategy is developed to improve the speed of the optimizer. Furthermore, this integrated global optimization capability is illustrated using a photoinjector design example and yields an improved design.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗