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At least 1,369 records · Page 76

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↗

Multibody for Everybody (M4E): A Symbolic Dynamics Modeling Tool with Applications in Simulation, Control, and Optimization

Developing the analytical model of a multibody system is often the initial step in control and optimization. The analytical model (equations of motion) describes a system’s time evolution under specified forcing conditions. Although developing these equations is easy for simple systems, this process becomes more complex for systems composed of multiple bodies. Deriving equations of motion for complex multibody systems requires specialized expertise in multibody dynamics, is time-consuming, and is susceptible to error. To address this issue, this paper presents an open-source, easy-to-use, systematic framework to derive symbolic equations of motion in both Python and MATLAB using the joint coordinate formulation. This formulation results in a set of ordinary differential equations that use the minimum set of coordinates needed to model a system. The symbolic representation provides better insight into the influence of design parameters on system performance, facilitates sensitivity analysis and parameter studies, and supports direct implementation of control and optimization routines. The tool enables numerical simulation for specified parameter sets, is modular for straightforward integration with other tools and libraries, and allows incorporation of hydrodynamics, mooring, and other external forces. The result is a reproducible, extensible pipeline for modeling, simulation, and design of complex multibody systems. The proposed tool is versatile and can be applied to domains such as robotics, control, and design. In addition, we integrated external libraries that provide capabilities for modeling offshore systems such as underwater robots and marine energy converters.

16 TIDAL AND WAVE POWER↗

A Dynamically-Reconfigurable Burst-Mode Link Using a Nanosecond Photonic Switch

Fast optical circuit switching has great potential to solve scaling issues with traditional packet-switch based networks and improve bandwidth and power efficiency in datacenter and high-performance computing applications. One difficultly in utilizing a fast optical switch is that the optical signal must be rapidly reacquired after each switching event so as to not significantly impact the overall throughput of the system. In this work we present a system-level integration of a nanosecond-scale $2 \times 2$ silicon photonic switch with a 25-Gbps burst-mode receiver that can lock in 31 ns. A novel FPGA-based control plane was used to generate test data, control the silicon photonic switch and burst-mode receiver, and measure bit errors at 12.5 and 20 Gbps. Error-free links (BER $< 10^{-12}$ ) with system-level reconfiguration times below 60 ns (at 20 Gbps) and 90 ns (at 12.5 Gbps) including bit- and frame-synchronization are demonstrated.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Elastic deformation as a tool to investigate watershed storage connectivity

Storage-discharge relationships and dynamic changes in storage connectivity remain key unknowns in understanding and predicting watershed behavior. In this study, we use Global Positioning System measurements of load-induced Earth surface displacement as a proxy for total water storage change in four climatologically diverse mountain watersheds in the western United States. Comparing total water storage estimates with stream-connected storage derived from hydrograph analysis, we find that each of the investigated watersheds exhibits a characteristic seasonal pattern of connection and disconnection between total and stream-connected storage. We investigate how the degree and timing of watershed-scale connectivity is related to the timing of precipitation and seasonal changes in dominant hydrologic processes. Our results show that elastic deformation of the Earth due to water loading is a powerful new tool for elucidating dynamic storage connectivity and watershed discharge response across scales in space and time.

Environmental Sciences & Ecology↗

Direct observation of a dynamical glass transition in a nanomagnetic artificial Hopfield network

Spin glasses, generally defined as disordered systems with randomized competing interactions, are a widely investigated complex system. Theoretical models describing spin glasses are broadly used in other complex systems, such as those describing brain function, error-correcting codes5 or stock-market dynamics. This wide interest in spin glasses provides strong motivation to generate an artificial spin glass within the framework of artificial spin ice systems. Here we present the experimental realization of an artificial spin glass consisting of dipolar coupled single-domain Ising-type nanomagnets arranged onto an interaction network that replicates the aspects of a Hopfield neural network. Using cryogenic X-ray photoemission electron microscopy (XPEEM), we performed temperature-dependent imaging of thermally driven moment fluctuations within these networks and observed characteristic features of a two-dimensional Ising spin glass. Specifically, the temperature dependence of the spin glass correlation function follows a power-law trend predicted from theoretical models on two-dimensional spin glasses. As a result, we observe clear signatures of the hard-to-observe rugged spin glass free energy in the form of sub-aging, out-of-equilibrium autocorrelations and a transition from stable to unstable dynamics.

36 MATERIALS SCIENCE↗

Decadal Spiciness Variability in the Subtropical-Tropical Pacific in the CESM2 Large Ensemble

Tropical Pacific decadal variations impact weather and climate around the world and are also connected to variations in the global warming trend. The mechanisms driving these long-term modulations, particularly the role of subsurface ocean dynamics, are still debated. Here, we investigate the dynamics of spiciness (density-compensated temperature and salinity) anomalies in the tropical and subtropical Pacific, which are hypothesized as a possible driving mechanism of decadal climate variability. Based on the analysis of 100 realizations from the Community Earth System Model Version 2 Large Ensemble (CESM2-LE), we demonstrate a coupling between the subtropics and the equatorial Pacific by propagating spiciness anomalies at decadal time scales. The CESM2-LE simulates spiciness variability along a subduction path from the subtropics to the equator with frequency spectra that show the highest power at low frequencies and a power decay proportional to a −4 slope for frequencies greater than 0.01 cycles per months, corresponding to periods smaller than ∼8.5 years. Signals that originate in the Southern Hemisphere (SH) dominate and arrive with a larger magnitude at the equator compared to spiciness anomalies from the Northern Hemisphere (NH). Spiciness anomalies from the SH have shorter propagation times and are strengthened along their pathway as stochastic wind stress curl forcing generates anomalous baroclinic ocean pressure gradients. These pressure gradients generate spiciness anomalies via anomalous advection across climatological spiciness gradients in the SH. We conclude that the observed spiciness variance at decadal time scales is consistent with a forcing by stochastic wind variations that are low-pass filtered by ocean dynamics.

54 ENVIRONMENTAL SCIENCES↗

Enabling 10mol/kg Swing Capacity via Heat Integrated Sub-ambient Pressure Swing Adsorption

This project focused on the development of a post-combustion CO 2 capture technology for coal-fired power stations. The core concept of the technology was the combination of an adsorption-based separation with combustion flue gas cooling, compression followed by heat and power recovery. The key features of the adsorption unit (which captures and purifies the CO 2 ) are the use of high flow fiber-based adsorption systems that incorporate materials that manage the significant amounts of heat released during the adsorption separation. The adsorbent material utilized was a hybrid organic-inorganic material (a metal-organic framework) that had the proper combination of separation selectivity and CO 2 capture capacity. In this case, record-setting, process-relevant CO 2 capture capacities (approximately 8-10 mol of CO 2 per kg of adsorbent “swing capacities”) were observed in experimental measurements of the adsorptive separation. The experimental work was accompanied by detailed multi-level simulation works, which investigated the molecular mechanism for the high CO 2 capture efficiencies, the heat and mass transport dynamics within the separation system, and the process-level integration of the various systems associated with the technology. Overall, the analysis conducted in this work indicates that this technology can potentially reach CO 2 capture costs as low as 40-50 dollars/tonne with capital costs of 250M-400M dollars for the 550 MW e basecase established by the National Energy Technology Laboratory.

20 FOSSIL-FUELED POWER PLANTS↗

LAF-Net: A Deep Residual and Cross-Attention Framework for Day-Ahead Load Forecasting: Preprint

Accurate day-ahead load forecasting is essential for reliable power system operations and market efficiency. System operators such as the Midcontinent Independent System Operator (MISO) rely on forecasts from multiple vendors, yet combining them effectively remains a persistent challenge due to vendor-specific biases. This paper presents a novel LSTM-Attention Fusion Network with Error Representation (LAF-Net) that enhances day-ahead hourly load forecasting through deep residual learning and multi-modal cross-attention. The proposed model builds a historical error memory from past vendor performance and dynamically queries it with future hour context to generate adaptive, hour-specific trust weights for each vendor. A bounded residual correction further refines forecasts by mitigating systematic and temporally localized errors. Tested on real MISO LBA data with multi-vendor forecasts, LAF-Net consistently outperforms the best vendor baseline across all 38 LBAs, achieving more than a 40% reduction in system-level mean absolute error (MAE) during peak load hours relative to the best vendor baseline.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Management of Risk and Uncertainty Through Optimized Co-Operation of Transmission Systems and Microgrids With Responsive Loads (Final Report)

The evolution of the power system to the reliable, efficient and sustainable system of the future will involve development of both demand- and supply-side technology and operations. Ambitious national and state-level goals around the decarbonization of electricity relies on the integration of very high levels of renewable resources, most of which are variable and intermittent. The use of demand response is an ideal approach to counterbalance the intermittency of renewable generation and brings the consumer into the spotlight. Though individual consumers are interconnected at the low-voltage distribution system, these resources are typically modeled as variables at the transmission network level. Demand-side participation cannot be leveraged effectively without explicitly including the distribution system dynamics in the optimization-based wholesale market operations. This project grew from a vision for co-optimized interaction of distribution systems, or microgrids, with the high-voltage transmission system. In this framework, microgrids encompass consumers, distributed renewables and storage. The energy management system of the lower voltage system (distribution or microgrid) can also sell (buy) excess (necessary) energy from the transmission system. Until recently, very little research had been conducted on the co-optimization of these two systems due to computational limitations. However, advances in computational capabilities, and the judicious use of decomposition methods and innovative approximation methods for high-dimension dynamic programming made this goal a viable objective for this project, leading to a fundamental shift in the ability to integrate and fully utilize demand-side resources. To this end, the modeling framework developed introduces a novel co-optimization framework, to include the operations of both the transmission and distribution systems (or microgrids) in operational decision making. This framework was used to analyze renewable and distributed generation along with responsive demand and to compare the capability of co-optimized systems to perform with higher levels of variable renewables. An ideal microgrid is defined as an electric entity capable of operating in both interconnected (with the high-voltage grid) and islanded mode. As such, the microgrid should incorporate generating units (traditional units and intermittent) and if needed, exchange power with the high-voltage grid. The interplay between the microgrid and high-voltage grid motivated the development of the co-optimization approach to ensure efficient performance of the interconnected network. Results show that the use of a bi-level optimization approach is an appropriate structure, capable of co-optimizing a transmission system with multiple distribution systems and microgrids. While increasing the number of connected systems provides increasing flexibility for renewables integration this can also the economic benefits to the low-voltage subsystems with each additional system connected. Comparison of a traditional single-level decision structure with the co-optimization approach illustrates a reduction in overall system cost under co-optimization, while specific cost allocations to transmission and distribution systems are changed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

System risk quantification and decision making support using functional modeling and dynamic Bayesian network

Risk-informed decision-making requires a probabilistic assessment of the likelihood of success of control action, given the system status. This paper presents a systematic state transition modeling approach integrating dynamic probabilistic risk assessment with a decision-making process using a dynamic Bayesian network (DBN) coupled with functional modeling. A functional model designed with multilevel flow modeling (MFM) technique was used to build a system state structure inferred by energy, mass, and information flow so that one can verify the developed model with respect to system functionality. The MFM model represents the causal relationship among the nodes, which captures the structure of process parameters and control units. Each node may have multiple possible states, and the DBN structured by the MFM model represents the time-domain transitions among the defined states. Furthermore, the MFM-DBN integrated state transition modeling is a white-box approach that allows one to draw the system's risk profile by updating the system states and supports the decisions probabilistically with physical inference. An example of a simple heating system has been used to illustrate this process, including decision-making support based on quantitative risk profile. For demonstrating its applicability to a complex system operational decision making, a case study of station blackout accident scenario leading to the seal loss of coolant accident in a nuclear power plant is presented. The proposed approach effectively provided the risk profile along time for each option so that the operators can make the best decision, which minimizes the plant risk.

42 ENGINEERING↗

Modeling of Inductive Constant Power Load for Electromagnetic-Transient Simulations-Part II

This paper improves the dynamic constant power (CP) load model that was published in Part I, which is appropriate for electromagnetic-transient (EMT). The improved model conserves all features of its predecessor. For instance, it maintains a fixed power consumption (both active and reactive parts) and a fixed power factor for loads that are predominantly inductive. Furthermore, as the proposed model is a time-dependent system, it is applicable to both sinusoidal and non-sinusoidal case studies. However, the previous model cannot be easily integrated with numeric solvers because it simulated load data over one cycle all together, not sequentially in a time-step manner, due to the limitation involved with the power factor. The improved version, on the contrary, allows the load to be simulated at every time step, which would facilitate its integration with numeric solvers. The model's validity is confirmed by comparing its response with data that is synthesized from constant impedance load, and the result is satisfactory.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Ab Initio Dynamics of Graphene and Graphyne Electrodes in Vacuum and in the Presence of Electrolytes

Graphene and graphyne electrodes are both relevant for electrochemical energy storage applications due to their unique physical, chemical, and electronic properties. Graphyne has been considered even more attractive than graphene due to its larger specific surface area, greater electronic mobility, and intrinsic band gap. The analyses presented in this work reveal relevant features of graphyne in an interaction with an electrolyte that can be useful for practical applications. Although there is already a considerable volume of work on graphyne, the analysis of its properties taking into account the dynamics of its network and the interaction with the condensed medium has not yet been presented. Here, ab initio molecular dynamics simulations were performed to study the energetic, structural, spectroscopic, and electronic properties of graphene and graphyne electrodes in vacuum and in the presence of an electrolyte (EMIM-BF 4 ). A detailed analysis of the electrode–electrolyte interaction is reported for both systems. Structural features are presented in terms of both radial and spatial distribution functions and angular orientation distributions. Power spectral analyses and molecular orbital maps provided important insights into the intermolecular interactions in graphene and graphyne systems, describing the main differences as well as revealing similarities between them.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamical mean field theory simulations with the adaptive sampling configuration interaction method

In the pursuit of accurate descriptions of strongly correlated quantum many-body systems, dynamical mean field theory (DMFT) has been an invaluable tool for elucidating the spectral properties and quantum phases of both phenomenological models and ab initio descriptions of real materials. Key to the DMFT process is the self-consistent map of the original system into an Anderson impurity model, the ground state of which is computed using an impurity solver. The power of the method is thus limited by the complexity of the impurity model the solver can handle. Simulating realistic systems generally requires many correlated sites. By adapting the recently proposed adaptive sampling configuration interaction (ASCI) method as an impurity solver, we enable much more efficient zero-temperature DMFT simulations. The key feature of the ASCI method is that it selects only the most relevant Hilbert space degrees of freedom to describe the ground state. This reduces the numerical complexity of the calculation, which will allow us to pursue future DMFT simulations with more correlated impurity sites than in previous works. Here, we present the ASCI-DMFT method and example calculations on the one- and two-dimensional Hubbard models that exemplify its efficient convergence and timing properties. We show that the ASCI approach is several orders of magnitude faster than the current best published ground-state DMFT simulations, which allows us to study the bath discretization error in simulations with small clusters, as well as to address cluster sizes beyond the current state of the art. Finally, our approach can also be adapted for other embedding methods such as density matrix embedding theory and self-energy embedding theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Transformative remedial action scheme tool (TRAST)

Techniques and apparatuses are described that enable transformative Remedial Action Scheme (RAS) analyses and methodologies for a bulk electric power system, including methods of designing, reviewing, revising, testing, implementing, verifying, or validating a RAS. An improved RAS improves operation of the power system, including performance, reliability, control, and asset utilization. The example methodologies discussed—also referred to as a transformative Remedial Action Scheme tool (TRAST)—provide an end-to-end solution for adaptively setting RAS parameters based on realistic and near real-time operation conditions to improve power grid reliability and grid asset utilization, by leveraging utility data analysis and employing dynamic simulations and machine learning to significantly simplify and shorten the entire RAS process.

Fan, Xiaoyuan↗

Control methods for mitigating flow oscillations in a supercritical CO 2 recompression closed Brayton cycle

A dynamic model of a 10 MWe supercritical CO 2 (sCO 2 ) recompression closed Brayton power generation cycle is used to investigate control methods for mitigating oscillations in flow conditions and power demand load, especially as the load ramp rate is increased and the load setpoint is more closely tracked. The focus is on control of the main compressor inlet temperature (MCIT) since oscillations are prompted by the strong nonlinearities in sCO 2 fluid properties near the critical point and by changes in system inventory for efficient load management. In this study, the oscillatory behavior during load ramping is first shown and then two potential control solutions for substantially reducing oscillations are given: 1) the use of the main compressor inlet guide vanes (IGV) and 2) bypassing a portion of the sCO 2 around the cooler to maintain the MCIT. These control methods reduce the effect of cycle feedback from interactions between the MCIT and load. When implementing either control method, a load setpoint ramp of 7.5%/min was maintainable while achieving closer load setpoint tracking with limited oscillations. Finally, the impact of sensor noise on the control was examined since derivative action was used in the IGV and cooler sCO 2 bypass control. Finally, while some effect was evident, signal noise was not problematic to the control.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Static and dynamic modeling of steam integration for a NuScale small modular reactor and pulp and paper mill coupling for carbon-neutral manufacturing

Small modular reactors (SMRs) are reactor designs producing less than 300 MWe and are generally planned for deployment as multimodule nuclear power plants. The possibility of factory-manufactured, flexibly sized plants expands the opportunities for nuclear power to different communities and industries, including manufacturing plants that currently utilize fossil fuels to produce both steam and electricity. This paper examines the feasibility of coupling a NuScale SMR with a midsize pulp and paper mill in the Southeastern United States. A steady-state mill model was developed in Aspen HYSYS, based on real data from the operation of the mill, and modified it to include the SMR while maintaining steam quality requirements and making as few changes as possible to existing equipment. Dynamic plant models were also developed Dymola to demonstrate possible plant conditions, using three configurations. Preliminary results suggest that, while SMR coupling is physically feasible, its economic feasibility is limited by the differences in steam and electricity demands. Because of limitations in the amount of steam the mill can take from the SMR, sizing the SMR for the plant’s steam demand may result in an electricity deficit, or vice versa. Furthermore, dynamic analyses show that the addition of a thermal storage system could reduce such deficits, but this entails its own challenges. Each plant must determine the best configuration and control scheme for itself, based on its electricity and heat needs, including the peak duration and intensity for both. Ultimately, an implementation of SMRs with manufacturing processes would benefit from partnering with a local utility to purchase excess electricity generated by the SMR. This will help manufacturing facilities meet their environmental and cost-savings goals, in addition to meeting the need for cost-effective baseload power across the United States.

03 NATURAL GAS↗

Building Model Calibration: Validation of GridLAB-D Thermal Dynamics Modeling

This report investigates how well GridLAB-D’s house model characterizes the thermal dynamics of buildings given the overpredicted diurnal electric load swing observed in the Distribution System Operation with Transactive (DSO+T) study. This study seeks to validate GridLAB-D’s house model by calibrating it to data from the well-instrumented Pacific Northwest National Laboratory Lab Homes in Richland, WA. The datasets chosen included multiple pre-cooling and pre-heating testing periods where the indoor air temperature was allowed to float over a multi-hour length of time to mimic diurnal behavior. The multi-season calibrations were evaluated by comparing the heating/cooling electric power, indoor air temperature, and the rise/decay time during temperature float periods with Lab Homes data. The default GridLAB-D assumptions for latent load fraction, air heat capacity, mass heat capacity, window-to-wall-ratio, overall envelope conductance (assumed as NORMAL thermal integrity level), and solar heat gain coefficient were compared with the calibrated model to confirm when the default assumptions were adequate and the impact of calibration on the accuracy of modeling the thermal dynamics of homes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

The Transactive Energy Network Template Metamodel

While transactive energy, which is defined as an allocation of electricity based on dynamically discovered values or prices, has been extensively studied, its uptake and use has been slow. This report describes a tool, the transactive network template, which should hasten the creation and uptake of transactive energy networks. Some basic principles of transactive energy are familiar from existing wholesale electricity markets. Locational prices are calculated today for zones within bulk electric transmission systems. Locational prices differ while accounting for the locational costs of electricity generation and the losses and constraints incurred when electricity is transmitted from generators and distributed to consumers. A transactive energy network might include these transmission zones. However, current research strives to apply transactive energy also in electricity distribution circuits, buildings, and even for individual generating and consuming devices. At the same time, researchers explore how to apply transactive energy in real time during increasingly shorter time intervals. Automated computational agents become necessary as transactive energy becomes applied to smaller circuit zones and at faster dynamic timescales. A transactive energy network is an example of a multi-agent system. Each zone in the network is represented by its transactive agent, which makes decisions for and acts on behalf of a business entity that is responsible for and manages one of the circuit regions. A transactive energy network is also an example of a decentralized, distributed control system. Control decisions and responsibilities are distributed among the network’s transactive agents. The transactive agents are independent; that is, there typically is no centralized authority or oversight function. Instead, transactive agents exchange transactive signals and thereby negotiate the prices and quantities of electricity that they will exchange. Initially, the circuit regions and responsibilities of transactive agents appear to be very dissimilar. Each circuit region may comprise transmission, distribution, or building-level circuits. Each has a unique position and electrical connectivity within the transactive energy network. Each possesses unique assets that either generate or consume electricity, and these (e.g., renewable energy generator, diesel generator, aggregate utility load, building load, space conditioning, refrigerator, etc.) may further differ in their price flexibility and in their strategies for responding to dynamic electricity prices. Given such diversity, an implementer’s first inclination might be to start from scratch to define all these devices and to engineer their seemingly unique interactions. Given that each implementer’s perspective may be narrow within a transactive energy network, it is unlikely that uniquely engineered systems would interact well. This is where the transactive network template is applicable. The transactive network template is a metamodel that has been developed to guide implementers as they configure their own transactive agent within a network of such agents. The object-oriented design of the transactive network template provides basic code object types that may be used and extended by implementers to represent each of the assets in their circuit region. These objects further facilitate the transactive agent’s necessary computations, which are divided among responsibilities to schedule power usage, balance electric supply and demand, and coordinate the exchange of electricity with the other transactive agents. This report addresses the conceptual transactive network template design. Implementers are directed to more formal design documents and reference implementations. A Python™-based1 reference implementation of the transactive network template has been coded, and three implementations have been configured to represent a national laboratory and two university campuses. Version 2 of the transactive node template generalizes the market class and its methods to facilitate multiple, and more diverse market coordination mechanisms than were facilitated by and demonstrated using Version 1. Version 3 includes new Appendix B, which addresses the designs of methods that would make dynamic prices track approved electricity rates. In the future, the author wishes to make the transactive network template more generally applicable to networks that require more accurate power flow. Development of the transactive network template is jointly funded by the U.S. Department of Energy (DOE) Energy Efficiency and Renewable Energy and the DOE Office of Electricity. In late 2015, one of the first projects to be funded by the DOE Grid Laboratory Modernization Laboratory Consortium was the Clean Energy and Transactive Campus project, led by Pacific Northwest National Laboratory. DOE funds were matched by an investment by the Washington Department of Commerce through its Clean Energy Fund. The transactive network template was developed to guide the implementation of transactive energy networks within this project’s scope.

24 POWER TRANSMISSION AND DISTRIBUTION↗