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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Quantum Electromagnetic Transients Program

This work devises a quantum electromagnetic transients program (QEMTP) which is the first attempt to tackle the computational challenges in solving EMTP through quantum computing. The main contributions lie in: (1) A quantum-enabled EMTP formulation with Dommel's model encoded in quantum states; 2) An Harrow-Hassidim-Lloyd (HHL)-based QEMTP to solve the discrete-time nodal equations; 3) An iteration-based HHL revision for mitigating temporal errors to achieve high accuracy of QEMTP with limited quantum resources. Case studies verify the correctness and efficacy of QEMTP in simulating both fast and slow dynamics.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Optimal Power Sharing Speed Compensation in On-road Wireless EV Charging Systems

Dynamic wireless charging of electric vehicles (EV) is an emerging technology with the potential to address range anxiety and reduce the size of batteries or provide charge-sustaining operation. Charging demand for dynamic wireless charging systems (DWCS) varies greatly in response to location-specific traffic behaviors including the number and speed of vehicles. This paper highlights the potential reduction of load variation with speed compensation and simulates opportunities to maximize the number of cars charged concurrently through “power sharing” or altering power output to slower cars while maintaining a maximum delivered energy. An improved sub-minute model for synthetic traffic is proposed to effectively model DWCS load on high speed roadways and a power electronics model is created based on an existing prototype developed by ORNL to investigate the potential for power sharing. Reductions in the average speed of traffic can greatly increase instantaneous DWCS load by as much as 26%, complicating capacity sizing. Parametric studies with a LCC-S power electronics model shows feasible power reduction of more than 20%, while maintaining a maximum achievable efficiency greater than 90%. Speed compensation on a roadway with large speed variation can reduce average power expected by 21% and increase the maximum number of cars charged simultaneously by 30%. The application of power sharing may significantly reduce load variability due to speed, allow for increased car hosting capability, and guarantee a maximum energy delivered.

Lewis, Donovin D.↗
DOE OSTI2023

Interactive Power to Frequency Dynamics Between Grid-Forming Inverters and Synchronous Generators in Power Electronics-Dominated Power Systems

With increased attention on grid-forming inverters as a power system stabilizing device during high shares of inverter-based resource operations, there is a present need for a transparent and methodical investigation of the inverted and direct power to frequency control capabilities and impacts of these devices on emerging power systems. Here, analysis of the frequency dynamics of the droop-controlled grid-forming inverter and the synchronous generator illuminates the inverted active power-frequency relationship and the frequency response order reduction, forming the basis for novel, nonlinear frequency control approaches. Device-level electromagnetic transient domain simulations corroborate the order-reduction findings, establish that a properly designed dc-side system has a negligible impact on power transfer and will not impede frequency regulation, and confirm the primary frequency response improvement with nonlinear control. Simulations of the 9- and 39-bus test systems validate the order reduction and associated decoupling of the nadir and rate of change of frequency in larger networks. Oscillatory mode analysis confirms the grid-forming benefit of increased damping; decreased damping is observed at shares above 80%, but not at 100%. Finally, simulations on a validated Maui power system model with a 96% of inverter-based resources model yield a trend toward a first-order response.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Analyzing impact of $\mathrm{DER}$ on $\mathrm{FIDVR}$ - comparison of $\mathrm{EMT}$ simulation of a combined transmission and distribution grid with aggregated positive sequence models

The increase in percentage of distributed energy resources (DERs) brings in a degree of uncertainty in bulk power system planning and operations. Further, the presence of 1 - φ induction motors introduces the possibility of motor stalling and fault induced delayed voltage recovery (FIDVR). With newer versions of IEEE Std 1547™ there can be the opportunity to obtain dynamic voltage support from DERs. In this report, the impact of DERs providing dynamic voltage on the dynamic behavior of 1 - φ induction motors is examined in detail along with an exploration of the need for simulation platforms that go beyond positive sequence. The studies discussed here are carried out both in detailed electromagnetic time domain and in positive sequence domain for comparison.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Advanced Features and Recent Developments in the WEC-Sim Open-Source Design Tool: Preprint

WEC-Sim is an open-source tool developed in Matlab/Simulink to simulate wave energy converters. WEC-Sim has been developed jointly by the National Renewable Energy Laboratory (NREL) and Sandia National Laboratories (SNL) since its initial release in 2014. WEC-Sim simulations are performed in the time domain based on the radiation and diffraction method using hydrodynamics coefficients derived from boundary element method (BEM)-based frequency-domain potential flow solvers (e.g., WAMIT, NEMOH, Capytaine, or ANSYS-AQWA). Within this level of modeling fidelity, WEC-Sim can handle floating body hydrodynamics, mechanical and electrical power generation methods, advanced control implementation, mooring systems, and other unique applications such as desalination. WEC-Sim functionalities are developed using Simulink blocks and Matlab functions. WEC-Sim is capabilities include simulation of different wave conditions, constraints and PTOs, body dynamics, mooring systems, among other advanced features such as nonlinear hydrodynamics, nonlinear PTOs, body-to-body interactions, etc.

hydrodynamics modeling↗
DOE OSTI2020

Temperature dependence of nuclear quantum effects on liquid water via artificial neural network model based on SCAN meta-GGA functional

We investigate the temperature dependence of nuclear quantum effects (NQEs) on structural and dynamic properties of liquid water by training a neural network force field using first-principles molecular dynamics (FPMD) based on the strongly constrained and appropriately normed meta-generalized gradient approximation exchange-correlation approximation. The FPMD simulation based on density functional theory has become a powerful computational approach for studying a wide range of condensed phase systems. However, its large computational cost makes it difficult to incorporate NQEs in the simulation and investigate temperature dependence of various properties. To circumvent this difficulty, we use an artificial neural network model and employ the thermostatted ring polymer MD approach for studying the temperature dependence of NQEs on various properties. The NQEs generally bring the radial distribution functions closer to the experimental measurements. Translational diffusivity and rotational dynamics of water molecules are both slowed down by the NQEs. The competing inter-molecular and intra-molecular quantum effects on hydrogen bonds, as discussed by Habershon, Markland, and Manolopoulos [J. Chem. Phys. 131(2), 024501 (2019)], can explain the observed temperature dependence of the NQEs on the dynamical properties in our simulation.

Yao, Yi (ORCID:0000000299576979)↗
DOE OSTI2026

Study of fully coupled three-dimensional envelope instability using automatic differentiation

Automatic differentiation is a powerful tool for computing derivatives of simulation results with respect to given parameters. In this Letter, we have applied this tool to investigate the instability of a dynamical system governed by 21 ordinary differential equations. This second-order instability (named envelope instability) is driven by space-charge effects and has a significant impact on the operational regimes of particle accelerators. Our study delves into the three-dimensional envelope instability, incorporating both transverse and longitudinal coupling. Conventionally, analyzing this complex system would necessitate solving 441 ordinary differential equations, which is computationally intractable. However, by employing automatic differentiation, we were able to track only 21 equations. This approach allowed us to uncover an additional instability stopband, which arises from space-charge-induced coupling and has not been reported in previous studies. This research highlights the significant advantages of automatic differentiation in analyzing complicated dynamical systems involving a large number of ordinary differential equations.

Qiang, Ji [Lawrence Berkeley National Laboratory (↗
DOE OSTI2020

Dynamic Modelling and Performance Evaluation of a Chemisorption Heat Pump for Cold Climate

Space heating is a significant contributor to the energy consumption in residential buildings, especially in cold climates where electric-driven heat pumps lose the advantage of high efficiency and conventional gas-combustion furnaces have limited efficiency. Chemical adsorption (chemisorption) heat pumps (CSHP) have the potential for producing heating with high energy efficiency under cold operating conditions. A CSHP operates intermittently between desorption and adsorption modes, and their performance is affected by system design and transient system control. This study developed a dynamic model and used it to evaluate the daily system performance under different designs and controls, particularly the buffer tank size and the controlled minimum heating power. The simulation results revealed the effects of these parameters on the system performance and helped identify the optimal design and control for the highest coefficient of performance and heating capacity.

Yang, Zhiyao↗
DOE OSTI2020

CyDER: A Cyber Physical Co-simulation Platform for Distributed Energy Resources in Smartgrids

The CyDER project aimed at developing an open-source, modular and scalable co-simulation platform for power grids with large shares of Distributed Energy Resources (DERs). The project partners are the Lawrence Berkeley National Lab (LBNL), Lawrence Livermore National Lab (LLNL), PG&E, SolarCity, and ChargePoint. The prime recipient is LBNL; SolarCity and ChargePoint were partners for the project’s first two years. Increased DER integration introduces a number of challenges in power grid operation including a more dynamic interaction between the transmission grid and distribution grids, and increased modeling complexity. Although specialized software exists to precisely model different components of the power system, it is far from trivial to integrate all various models and perform a holistic simulation. Instead of replicating all models in a common simulation program, a commonly accepted approach to tackle this model diversity is to couple third-party simulators and models through a co-simulation platform that coordinates information exchange among the various components. Following this line of research, this project’s objective was to develop a co-simulation platform based on a widely accepted industrial standard called Functional Mockup Interface (FMI). Within this process, the project developed models compliant with the FMI standard, called Functional Mockup Units (FMUs), and used them to perform various operational and planning power system analyses. Relying and building upon an industrial standard is the main differentiation of this project compared with previous or parallel efforts in the co-simulation area. Particular emphasis was put on delivering software utilities to facilitate setting up and running co-simulations by end-users. Furthermore, a strong aspect of this project is demonstrating that co-simulation techniques can be used to perform Hardware-in-the-Loop (HIL) simulations that couple software components (e.g., simulated models) with hardware components (e.g., real devices such PV systems and batteries). The long-term goal of CyDER project is to help establish FMI as a powerful standard for co-simulation and promote adoption by electric utilities and other interested stakeholders. The main accomplishments of the project include the development of several FMUs including distribution and transmission grid models, PV inverters with Volt/Var/Watt controllers, batteries, and predictive optimal controllers. Additionally, a unique software package was developed, called SimulatorToFMU, which is capable of exporting any Python-driven simulator or Python script as an FMU. This is an important contribution towards establishing FMI as one of the main co-simulation standards, because more and more third-party programs for sub-system modeling and simulation are delivered with Python APIs. The CyDER platform was used to perform PV hosting capacity analyses in real utility feeders with and without smart inverter controls, battery storage, and EV charging. Smart inverter controls include conventional Volt/Var/Watt controls for reactive power support and active power curtailment, but also predictive controls that optimize the charging and discharging profile of the battery connected on the DC side in order to minimize the customer’s economic benefit. Finally, an important result of this project is delivering an experimental setup that consists of residential-scale PV inverters with battery storage, a real-time grid simulator with an ideal voltage source as grid emulator, and micro Phasor Measurement Units (PMUs). All these components and additional software modules are coupled to one another using the FMI standard and can be co-simulated with the CyDER platform.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Online Output-Based Inertia Estimation of Modern Power Systems

The overall inertia of modern power systems is drastically impacted by the penetration level of converter-based resources (CBRs). The intermittent output of CBRs and their dependence on the weather conditions affirm the need for a realtime inertia estimation approach. This can help the transmission system operators(TSOs) to be continuously aware of the changes in the system inertia and to take suitable control actions. This paper is a step forward to a totally data-driven framework for power system inertia estimation using the available measurements from the phasor measurement units (PMUs). This inertia estimation is done based on the spectral analysis of the so-called Koopman linear operator. Koopman operator considers the relationship between the system's inertia and its dynamical response to slight disturbances in the load. Simulation results show that Koopman operator can approximate the system behavior in a reconstructed linear space hence inertia constant is estimated accurately.

data-driven↗
DOE OSTI2020

Implementing Inertial Control for PMSG-WTG in Region 2 Using Virtual Synchronous Generator with Multiple Virtual Rotating Masses

With the increasing integration of renewable energy, the problems associated with a deteriorating grid frequency profile and potential power system instability have become more significant. In this paper, the inertial control algorithm using a virtual synchronous generator (VSG) is implemented on a Type 4 permanent magnet synchronous generator (PMSG) wind turbine generator (WTG). The overall nonlinear dynamic model and its small-signal linearization of the PMSG-WTG using a VSG is established and comprehensively analyzed. Inevitably, the direct application of the VSG introduces a large inertia, which causes conflict between the fast variance of available wind power and inverter control with slow dynamics, particularly in Region 2 of the wind turbine. Aiming to address such issues, a VSG with multiple virtual rotating masses is proposed to improve the active power tracking performance as well as to boost the inertial control of a VSG. The inertial responses are verified in a modified 10-MVA IEEE 14-bus microgrid system. The assessment of the simulation results demonstrates the applicability of the VSG on renewable energy generation units.

17 WIND ENERGY↗
DOE OSTI2021

Cold ion beam in a storage ring as a platform for large-scale quantum computers and simulators: Challenges and directions for research and development

The purpose of this paper is to evaluate the possibility of constructing a large-scale storage-ring-type ion-trap system capable of storing, cooling, and controlling a large number of ions as a platform for scalable quantum computing (QC) and quantum simulations. In such a trap, the ions form a crystalline beam moving along a circular path with a constant velocity determined by the frequency and intensity of the cooling lasers. In this paper, we consider a large leap forward in terms of the number of ions that serve as qubits in QC, from fewer than 100 available in state of the art linear ion-trap devices today to an order of 10 5 crystallized ions in the storage-ring setup. This new trap design unifies two different concepts: the storage rings of charged particles and the linear ion traps used for QC and mass spectrometry. In this paper, we use the language of particle accelerators to discuss the ion state and dynamics. We outline the differences between the above concepts, analyze challenges of the large ring with a revolving chain of ions, and propose goals for the research and development required to enable future quantum computers with 1000 times more qubits than available today. The challenge of creating such a large-scale quantum system while maintaining the necessary coherence of the qubits and the high fidelity of quantum logic operations is significant. Performing analog quantum simulations may be an achievable initial goal for such a device. Quantum calculations and simulations of complex quantum systems will move forward both the fundamental science and the applied research. Nuclear and particle physics, many-body quantum systems, lattice gauge theories, and nuclear structure calculations are just a few examples in which a large-scale quantum simulation system will become a very powerful tool to move forward our understanding of nature.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Unstructured mesh-based multi-physics reactor transient simulation with iMC code

In this study, we present a time-dependent Monte Carlo simulation result about a complex fuel-loaded light water reactor system with thermal-hydraulic feedback using the KAIST iMC code. The intra-pin temperature distribution is calculated based on Monte Carlo-tallied detailed power distribution and the finite element heat transfer method. The temperature effect of fuel, absorber, and coolant are adequately reflected into the dynamic response by the on-the-fly Doppler broadened cross-section correction. For the time-dependent Monte Carlo transport simulation, the predictor-corrector quasi-static Monte Carlo method is used for this study. We tested the coupled analysis framework with a 17-by-17 fuel assembly loaded with the centrally-shielded burnable absorber (CSBA) fuel element. The temperature feedback effect on the material cross-section and the moderator density incurred negative reactivity in response to the external positive reactivity insertion, showing the inherent stability of the reactor system. The pin-wise power and temperature change during the system transient are presented and discussed. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

The Cause of Insufficient Damping in Phase-Locked-Loop and Its Influence

Phase-locked loop (PLL) is a critical component that synchronizes grid-following (GFL) inverter-based resources (IBR) to the grid. Insufficient damping in PLL has been identified as a cause associated with real-world weak grid stability issues. This paper reveals that the second-order low-pass filter deployed in a sophisticated PLL structure can have negative influence on damping performance and lead to system instability when the grid is weak and power generation is low. Improving the PLL damping is illustrated as one of the mitigation approaches. The dynamic study is carried out in electromagnetic transient (EMT) simulation environment. In addition to EMT demonstration, a simplified analytical model of PLL is developed to represent a PLL with the sophisticated structure. The resulting overall analytical model of the entire system is then used for eigenvalue- based analysis to illustrate the influence of PLL on dynamic modes.

Wang, Zhengyu↗
DOE OSTI2024

Quantum computation of stopping power for inertial fusion target design

Stopping power is the rate at which a material absorbs the kinetic energy of a charged particle passing through it—one of many properties needed over a wide range of thermodynamic conditions in modeling inertial fusion implosions. First-principles stopping calculations are classically challenging because they involve the dynamics of large electronic systems far from equilibrium, with accuracies that are particularly difficult to constrain and assess in the warm-dense conditions preceding ignition. Here, we describe a protocol for using a fault-tolerant quantum computer to calculate stopping power from a first-quantized representation of the electrons and projectile. Our approach builds upon the electronic structure block encodings of Su et al. [ PRX Quant. 2 , 040332 (2021)], adapting and optimizing those algorithms to estimate observables of interest from the non-Born–Oppenheimer dynamics of multiple particle species at finite temperature. We also work out the constant factors associated with an implementation of a high-order Trotter approach to simulating a grid representation of these systems. Ultimately, we report logical qubit requirements and leading-order Toffoli costs for computing the stopping power of various projectile/target combinations relevant to interpreting and designing inertial fusion experiments. We estimate that scientifically interesting and classically intractable stopping power calculations can be quantum simulated with roughly the same number of logical qubits and about one hundred times more Toffoli gates than is required for state-of-the-art quantum simulations of industrially relevant molecules such as FeMoco or P450.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Learning-Based Load Control to Support Resilient Networked Microgrid Operations

Microgrids have proven to be an effective option for increasing the resiliency of critical end-use loads during extreme events. Building on past operational experiences, some microgrid operators are examining the potential to network microgrids to further improve resiliency. However, the frequency deviations experienced on isolated microgrids during transient events, such as switching operations, step increases in load, and loss of generation, are significantly larger than those typically seen on bulk transmission systems. The larger frequency deviations can cause a loss of inverter-connected assets, resulting in a loss of power to critical end-use loads. This paper presents a method of mitigating the impact of transient events by engaging end-use loads using Grid-Friendly Appliance TM (GFA) controllers. An online, i.e., real-time, device-level algorithm is presented, which adjusts individual GFA controller frequency set-points based on the operational characteristics of each end-use load, and on the changing grid dynamic characteristics. The presented method improves the dynamic stability of the networked microgrid operations while minimizing the interruptions to end-use loads. The presented work is validated with dynamic simulations using a modified version of the IEEE 123-node test system with three microgrids, using the GridLAB-D TM simulation environment.

Radhakrishnan, Nikitha↗
DOE OSTI2026

Third-body stabilization of supercritical CO 2 in CO oxidation: development and application of a ReaxFF force field for the CO/O/CO 2 system

Supercritical CO 2 (scCO 2 ) plays a crucial role as a solvent in separation processes, advanced power cycles, and materials processing. Nonetheless, the atomistic comprehension of how the dense scCO 2 matrix influences the fundamental reaction of carbon monoxide (CO) is still insufficiently explored. Experimental studies and molecular dynamics (MD) simulations frequently fail to detect the highly reactive, transient intermediates, such as atomic oxygen (O), that drive these reactions. Here, to address this issue, we have developed a novel ReaxFF reactive force field for the CO 2 /CO/O system. The force field parameters were calibrated using density functional theory and second-order Møller-Plesset calculations to model CO 2 crystal properties, intermolecular interactions, bond dissociation curves, and reaction energy barriers. The force field reproduces the cohesive energy of the CO 2 crystal, the pressure characteristics of bulk scCO 2 , the equation-of-state behavior over a wide pressure–density range, the pressure dependence of the C–O bond length under compression, and the structural properties of liquid and scCO 2 , as documented by experiments, ab-initio MD, and prominent non-reactive models. The force field was subsequently applied to study the CO + O → CO 2 reaction. In a dilute environment, the reaction is inefficient as the newly formed CO 2 rapidly dissociates due to excess kinetic and potential energy acquired from the exothermic reaction. Conversely, in a dense scCO 2 environment, the surrounding matrix acts as an efficient third body, stabilizing the emerging CO2 product via molecular collisions. Statistical analysis confirms an average excess energy dissipation of 133.9 ± 3.6 kcal/mol over 112.4 ± 17.9 ps. Kinetic energy decomposition reveals that ∼ 92% of the excess kinetic energy is stored in internal (rotational and vibrational) degrees of freedom. This ReaxFF force field establishes a mechanistic foundation for third-body stabilization in dense reactive environments.

Chowdhury, Emdadul Haque [Pennsylvania State Univ.↗