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At least 487 records · Page 27

Simulations of the large-scale environment during the FIRE Cirrus IFO

A numerical model that can facilitate the study of cirrus cloud systems is described in an effort to understand the dynamics during the first FIRE IFO. The model has a developed horizontal and vertical structure in the moisture fields with scales of order 200 km that were not found in the NMC analyses, suggesting that the model simulations can be used to describe the large-scale environment in which aircraft, surface, and satellite observations were made. The results of this preliminary simulation warrant application of the model to other case studies, particularly that of October 27-28, 1986.

Westphal, Douglas L.↗

Optical techniques for the detection of extrasolar planets - A critical review

Proposed optical techniques of extrasolar planet detection are discussed and compared. These include terrestrial, orbital, and moon-based systems. Terrestrial systems include ground-level searches for random eclipses of primaries and 'light' echoes of stellar flares from companion planets as well as balloon-mounted telescopes operating in the stratosphere used in conjunction with orbital occulters. Space telescopes considered are multimirror systems simulating huge mirror diameters and single-mirror telescopes, such as the 3-meter Large Space Telescope, used in conjunction with occulters. Although very modest systems are capable of detecting extrasolar planets, the amount of information we can gather regarding these worlds is a function of system complexity and program duration.

Matloff, G. L.↗

Using AI Simulations to Dynamically Model Multi-agent Multi-team Energy Systems

The complexity of energy systems is well known as they are complex and intricate systems. As a result, many extant studies have used many simplifications or generalizations that do not accurately reflect the nature of this complex system. In particular, most HVAC systems are modeled as a single unit, or several large units, rather than as a hierarchical composite (e.g., as a floor rather than as a collection of disparate rooms). The net result of this is that the simulations are too generic to perform meaningful analysis, machine learning, or integrated simulation. We propose using a multi-agent multi-team strategic simulations framework called SiMAMT to better define, model, simulate, and learn the HVAC environment. SiMAMT allows us to create distinct models for each type of room, hierarchically aggregate them into units (like floors, or sections), and then into larger sets (like buildings or a campus), and then perform a simulation that interacts with each sub-element individually, the teams of sub-elements collectively, and the entire set in aggregation. Further, and most importantly, we additionally model another ‘team’ within the simulation framework - the users of the systems. Again, each individual is modeled distinctly, aggregated into sub-sets, then collected into large sets. Each user, or agent, is performing on their own but with respect to the larger team goals. This provides a simulation that has a much higher model fidelity and more applicable results that match the real-world.

Franklin, D. Michael↗

A Combined Day-ahead and Real-time approach for Scheduling Real and Reactive power dispatch of Battery Energy Storage System

A combined day-ahead (look-ahead) and real-time optimization approach is proposed to schedule BESS real and reactive power dispatch. The look ahead scheduling agent maximizes profit and essentially performs the function of energy arbitrage by looking at forecasted prices, network constraints and BESS operating conditions to generate real power dispatch schedule. While this schedule is followed, the real time optimization agent computes an optimum reactive power set-point (for a particular objective function) using optimal power flow framework. The concepts are implemented by co-simulating legacy tools and demonstrated on a large real world distribution system. In addition to the profits from energy arbitrage, optimum reactive power set point computation results in achieving desirable network attributes like flat voltage profiles and minimizing voltage deviations from desired value.

Bhatti, Bilal A.↗

Simulating microgalvanic corrosion in alloys using the PRISMS phase-field framework

In this prospective paper, we first review the existing simulation tools to simulate microgalvanic corrosion during free immersion. Then, we describe a recently developed application that employs PRISMS-PF, an open-source, high-performance phase-field modeling framework. The model employed in the application accounts for the electrochemical reaction at the metal/electrolyte interface and ionic migration in the electrolyte to determine the evolution of the corrosion front. We present the implementation details for the application and discuss its features such as super-linear parallel scaling performance for a sufficiently large system. Finally, we demonstrate the capability of the application by simulating corrosion of the matrix phase of an alloy near a secondary phase particle in two and three dimensions.

36 MATERIALS SCIENCE↗

A brief summary of the attempts to develop large wind-electric generating systems in the US

Interest in developing large wind-electric generating systems in the United States was simulated primarily by one man, Palmer C. Putnam. He was responsible for the construction of the 1250 kilowatt Smith-Putnam wind-electric plant. The existence of this system prompted the U. S. Federal Power Commission to investigate the potential of using the winds as a source energy. Also, in 1933 prior to Putnam's effort, there was an abortive attempt by J. D. Madaras to develop a wind system based on the Magnus effect. These three projects comprise the only serious efforts in America to develop large wind driven plants. In this paper the history of each project is briefly described. Also discussed are some of the reasons why wind energy was not seriously considered as a major source of energy for the U. S.

Savino, J. M.↗

Simulator for multilevel optimization research

A computer program designed to simulate and improve multilevel optimization techniques is described. By using simple analytic functions to represent complex engineering analyses, the simulator can generate and test a large variety of multilevel decomposition strategies in a relatively short time. This type of research is an essential step toward routine optimization of large aerospace systems. The paper discusses the types of optimization problems handled by the simulator and gives input and output listings and plots for a sample problem. It also describes multilevel implementation techniques which have value beyond the present computer program. Thus, this document serves as a user's manual for the simulator and as a guide for building future multilevel optimization applications.

Padula, S. L.↗

Simulations of Large-Scale Zero Boiloff, Densification, and Solidification of Hydrogen

An Integrated Refrigeration and Storage (IRAS) experimental system called the Ground Operations and Demonstration Unit for Liquid Hydrogen (GODU-LH2) demonstrated the ability store cryogens in a zero boiloff (ZBO) process, and to densify liquid hydrogen by reducing the temperature and pressure down to the triple point resulting in solidification. The incompressible Navier-Stokes was utilized to simulate ZBO, densification, and solidification of liquid hydrogen (LH2) in the IRAS tank. The simulations were performed using a commercially available Computational Fluid Dynamics (CFD) pressure-based mass and momentum flow model and an enthalpy-porosity energy model. Results demonstrated the simulation’s ability to predict time-dependent flow and temperature fields and solid-liquid phase locations for hydrogen during ZBO, densification, and solidification. The simulations showed good agreement with experimental data, with errors within acceptable ranges for temperature and pressure predictions, provided detailed insights into natural convection and solid-liquid phase change dynamics. These findings are critical for the design of future cryogenic fluid management systems.

Computational Fluid Dynamics↗

Stability and control of power systems with high penetrations of inverter-based resources: An accessible review of current knowledge and open questions

As power system renewable energy penetrations increase, the ways in which key renewable technologies such as wind and solar photovoltaics (PV) differ from thermal generators become more apparent. Many studies have examined the variability and uncertainty of such generators and described how generation and load can be balanced for a wide variety of annual energy penetrations, at timescales from seconds to years. Another important characteristic of these resources is asynchronicity, the result of using inverters to interface the prime energy source with the power system as opposed to synchronous generators. Unlike synchronous generators, whose frequency of alternating current (AC) injection is physically coupled to the rotation of the machine itself, inverter based asynchronous generators do not share the same physical coupling with the generated frequency. These subtle differences impact the operations of power systems developed around the characteristics of synchronous generators. In this paper we review current knowledge and open research questions concerning the interplay between asynchronous inverter-based resources (IBRs) and cycle- to second-scale power system dynamics, with a focus on how stability and control may be impacted or need to be achieved differently when there are high instantaneous penetrations of IBRs across an interconnection. This work does not seek to provide a comprehensive review of the latest developments, but is instead intended to be accessible to any reader with an engineering background and an interest in power systems and renewable energy. As such, the paper includes basic material on power electronics, control schemes for IBRs, and power system stability; and uses this background material to describe potential impacts of IBRs on power system stability, operational challenges associated with large amounts of distributed IBR generation, and modern power system simulation trends driven by IBR characteristics.

14 SOLAR ENERGY↗

Large-scale simulations of Floquet physics on near-term quantum computers

Abstract Periodically driven quantum systems exhibit a diverse set of phenomena but are more challenging to simulate than their equilibrium counterparts. Here, we introduce the Quantum High-Frequency Floquet Simulation (QHiFFS) algorithm as a method to simulate fast-driven quantum systems on quantum hardware. Central to QHiFFS is the concept of a kick operator which transforms the system into a basis where the dynamics is governed by a time-independent effective Hamiltonian. This allows prior methods for time-independent simulation to be lifted to simulate Floquet systems. We use the periodically driven biaxial next-nearest neighbor Ising (BNNNI) model, a natural test bed for quantum frustrated magnetism and criticality, as a case study to illustrate our algorithm. We implemented a 20-qubit simulation of the driven two-dimensional BNNNI model on Quantinuum’s trapped ion quantum computer. Our error analysis shows that QHiFFS exhibits not only a cubic advantage in driving frequency ω but also a linear advantage in simulation time t compared to Trotterization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A first-principles machine-learning force field for heterogeneous ice nucleation on microcline feldspar

The formation of ice in the atmosphere affects precipitation and cloud properties, and plays a key role in the climate of our planet. Although ice can form directly from liquid water at deeply supercooled conditions, the presence of foreign particles can aid ice formation at much warmer temperatures. Over the past decade, experiments have highlighted the remarkable efficiency of feldspar minerals as ice nuclei compared to other particles present in the atmosphere. However, the exact mechanism of ice formation on feldspar surfaces has yet to be fully understood. Here, we develop a first-principles machine-learning model for the potential energy surface aimed at studying ice nucleation at microcline feldspar surfaces. The model is able to reproduce with high-fidelity the energies and forces derived from density-functional theory (DFT) based on the SCAN exchange and correlation functional. Our training set includes configurations of bulk supercooled water, hexagonal and cubic ice, microcline, and fully-hydroxylated feldspar surfaces exposed to vacuum, liquid water, and ice. In this work, we apply the machine-learning force field to study different fully-hydroxylated terminations of the (100), (010), and (001) surfaces of microcline exposed to vacuum. Our calculations suggest that terminations that do not minimize the number of broken bonds are preferred in vacuum. We also study the structure of supercooled liquid water in contact with microcline surfaces, and find that water density correlations extend up to around 10 Å from the surfaces. Finally, we show that the force field maintains a high accuracy during the simulation of ice formation at microcline surfaces, even for large systems of around 30,000 atoms. Future work will be directed towards the calculation of nucleation free energy barriers and rates using the force field developed herein, and understanding the role of different microcline surfaces on ice nucleation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Designing a quantum-accurate machine-learning potential to enable large-scale simulations of deuterium under shock

Large-scale molecular dynamics of deuterium under shock can elucidate kinetic processes vital to the target design in inertial confinement fusion and high-energy-density experiments. However, modeling the complex evolution of this material from an insulating molecular state at ambient pressure to an ionized, atomic fluid under strong shock is beyond the capability of simple pair and even bond order potentials. We thus train a quantum-accurate and broadly transferable machine-learning interatomic potential for deuterium using the Chebyshev Interaction Model for Efficient Simulations framework. We show that due to an improved description of the molecular-to-atomic transition, our model is able to better reproduce the ab initio equation of state, radial distribution functions, and principal Hugoniot than bond order potentials. This represents an important step toward large-scale quantum-accurate and nonequilibrium simulations of complicated systems under dynamic changes including phase transitions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Population inversion X-ray laser oscillator

Oscillators are at the heart of optical lasers, providing stable, transform-limited pulses. Until now, laser oscillators have been available only in the infrared to visible and near-ultraviolet (UV) spectral region. In this paper, we present a study of an oscillator operating in the 5- to 12-keV photon-energy range. We show that, using the Kα 1 line of transition metal compounds as the gain medium, an X-ray free-electron laser as a periodic pump, and a Bragg crystal optical cavity, it is possible to build X-ray oscillators producing intense, fully coherent, transform-limited pulses. As an example, we consider the case of a copper nitrate gain medium generating ~ 5 × 10 10 photons per pulse with 37-fs pulse length and 48-meV spectral resolution at 8-keV photon energy. Our theoretical study and simulation of this system show that, because of the very large gain per pass, the oscillator saturates and reaches full coherence in four to six optical-cavity transits. We discuss the feasibility and design of the X-ray optical cavity and other parts of the oscillator needed for its realization, opening the way to extend X-ray–based research beyond current capabilities.

47 OTHER INSTRUMENTATION↗

Quasi-Static Time Series Fatigue Simulation for PV Inverter Semiconductors with Long-Term Solar Profile

Power system simulations with long-term data tend to have large time steps varying from one second to a few minutes. However, for PV inverter semiconductors, the minimum thermal stresses cycle is with line frequency. This requires the time step of the fatigue simulation to be much smaller than the line period. This small time step results in poor simulation speed, especially for long-term simulations. This paper proposes a fast fatigue simulation for inverter semiconductors using the quasi-static time series (QSTS) simulation concept. The fatigue analysis typically focuses on the peak and valley values of a strain and neglect the transients from peaks to valleys. The proposed simulation utilizes this property of fatigue analysis and calculates the steady state of the semiconductor junction temperature only. The resulting time step of the fatigue simulation is 15 minutes, which is consistent with the solar dataset without losing accuracy.

fast simulation↗

Spatial Microsimulation and Activity Allocation in Python: An Update on the Likeness Toolkit

Understanding human security and social equity issues within human systems requires large-scale models of population dynamics that simulate high-fidelity representations of individuals and access to essential activities (work/school, social, errands, health). Likeness is a Python toolkit that provides these capabilities for Oak Ridge National Laboratory's (ORNL) UrbanPop spatial microsimulation project. In step with the initial development phase for Likeness (2021 - 2022), we built out several foundational examples of work/school and health service access. In this paper, we describe expansion and scaling of Likeness capabilities to metropolitan areas in the United States. We then provide an integrated demonstration of our methods based on a case study of Leon County, FL and perform validation exercises on 1) neighborhood demographic composition and 2) visits by demographic cohorts (gender/age) obtained from point of interest (POI) footfall data for essential services (grocery stores). Taking into account lessons learned from our case study, we scope improvements to our model as well as provide a roadmap of the anticipated Likeness development cycle into 2023 - 2024.

Tuccillo, Joe↗

Series FACTS Devices for Increasing Resiliency in Severe Weather Conditions

Severe weather conditions are low-probability, high-impact events that affect grid operations. The majority of power outages are caused by severe weather conditions. Grid resiliency to weather events can be enhanced by decreasing the reliance on its affected sections. One way to do this is to reduce the power flow through lines vulnerable to severe weather. If a line is disconnected, its initial power flow is distributed through the neighbor lines, which may cause congestion in the grid. FACTS devices can be used to control the power flow of lines that have a higher chance of power outages. Most previous works do not consider weather events in power flow control. In this work, a linearized optimal power flow (OPF)–based algorithm is developed to minimize the real power flow of vulnerable lines considering the thermal limits of lines to prevent infeasible solutions; the simulation is fast, making it suitable for large-scale systems. The proposed optimization problem is presented as a mixed-integer linear program (MILP), making it capable of using short-term load forecasting due to its high solution speed. The proposed optimization problem considers multiple lines with different outage probabilities and the uncertainties of the weather forecast. Moreover, it estimates the power reduction in vulnerable lines due to changes in the series FACTS devices. The performance of the proposed optimization problem is tested on IEEE 14-, 30-, and 118-bus systems for several scenarios. The results are validated with the AC power flow results from MATPOWER.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Wheat signature modeling and analysis for improved training statistics: Supplement. Simulated LANDSAT wheat radiances and radiance components

Simulated scanner system data values generated in support of LACIE (Large Area Crop Inventory Experiment) research and development efforts are presented. Synthetic inband (LANDSAT) wheat radiances and radiance components were computed and are presented for various wheat canopy and atmospheric conditions and scanner view geometries. Values include: (1) inband bidirectional reflectances for seven stages of wheat crop growth; (2) inband atmospheric features; and (3) inband radiances corresponding to the various combinations of wheat canopy and atmospheric conditions. Analyses of these data values are presented in the main report.

Malila, W. A.↗

A study of topologies and protocols for fiber optic local area network

The emergence of new applications requiring high data traffic necessitates the development of high speed local area networks. Optical fiber is selected as the transmission medium due to its inherent advantages over other possible media and the dual optical bus architecture is shown to be the most suitable topology. Asynchronous access protocols, including token, random, hybrid random/token, and virtual token schemes, are developed and analyzed. Exact expressions for insertion delay and utilization at light and heavy load are derived, and intermediate load behavior is investigated by simulation. A new tokenless adaptive scheme whose control depends only on the detection of activity on the channel is shown to outperform round-robin schemes under uneven loads and multipacket traffic and to perform optimally at light load. An approximate solution to the queueing delay for an oscillating polling scheme under chaining is obtained and results are compared with simulation. Solutions to the problem of building systems with a large number of stations are presented, including maximization of the number of optical couplers, and the use of passive star/bus topologies, bridges and gateways.

Yeh, C.↗