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At least 19 records

SDA: a symbolic differential algebra package in C++

Truncated Power Series Algebra (TPSA), or Differential Algebra (DA), is a well-established tool in accelerator physics, commonly used for generating high-order maps of dynamic systems, as well as in symplectic tracking, normal form analysis, verified integration, optimization, and fast multipole methods. This package is the first to perform symbolic DA computations, enabling traceability of initial condition contributions and runtime reduction for repeated DA calculations, potentially expanding DA’s applications.

97 MATHEMATICS AND COMPUTING

Ab-initio simulation of spin-vibronic spectra of methoxy radical

Despite the fact that experimental and theoretical work on the spectrum of methoxy has stretched from the microwave to the ultraviolet and proceeded for nearly 50 years, parts of the spectrum have remained a challenge to simulate theoretically and make reliable line-by-line assignments. The spectral complexity arises because the radical has a non-zero electron spin and significant vibronic coupling between the two elec- tronic components of the ground state due to the presence of a conical intersection. This work describes a completely ab initio effort to understand and assign the spin- vibronic levels of the X 2E state from 0 to above 3000 cm−1, a region that includes the fundamental transitions of the C-H symmetric and asymmetric stretches that have not previously been identified uniquely. A potential energy surface for methoxy was calculated at the EOM-CCSDT/ANO1 level of theory. Subsequently this potential energy surface was fit to a quartic power series expansion of all nine vibrational nor- mal coordinates (as determined at the minimum of the conical intersection) by the use of a machine-learning-based algorithm. After the addition of spin-orbit coupling, the spin-vibronic problem was solved using both the Krylov-Schur and Lanczos algorithms with the SOCJT3 software to converge eigenvalues up to 3500 cm−1 and their eigen- vectors. The latter were used, in conjunction with the calculated dipole moment and its derivatives (calculated using finite differences at EOM-CCSDT/ANO1 level), to determine spectral intensities for the spin-vibronic spectra. The calculated transition frequencies and intensities were used to simulate and assign the observed transitions of the spin-vibronic spectra of the radical. The credibility of the assignments and their significance is discussed in detail.

Sharma, Ketan [University of Florida, Gainesville,

Locating the QCD critical point through contours of constant entropy density

We propose a new method to investigate the existence and location of the conjectured high-temperature critical point of strongly interacting matter via contours of constant entropy density. By approximating these lines as a power series in the baryon chemical potential 𝜇 𝐵 , one can extrapolate them from first-principle results at zero net-baryon density, and use them to locate the quantum chromodynamics (QCD) critical point, including the associated first-order and spinodal lines. As a proof of principle, we employ currently available continuum-extrapolated lattice data from the Wuppertal-Budapest collaboration to find a critical point at a temperature and a baryon chemical potential of 𝑇 𝑐 = 114.3 ± 6.9 MeV and 𝜇 𝐵,𝑐 = 602.1 ± 62.1 MeV, respectively, at expansion order 𝒪⁡(𝜇$^{2}_{𝐵}$). We advocate for a more precise determination of the required expansion coefficients via lattice QCD simulations as a means of pinpointing the location of the critical endpoint in the phase diagram of strongly interacting matter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

Emergent viscous hydrodynamics from a single quantum particle

We investigate an explicit example of how spatial decoherence can lead to hydrodynamic behavior in the late-time, long-wavelength regime of open quantum systems. We focus on the case of a single nonrelativistic quantum particle linearly coupled to a thermal bath of noninteracting harmonic oscillators at temperature T , a la Caldeira and Leggett. Taking advantage of decoherence in the position representation, we expand the reduced density matrix in powers of the off-diagonal spatial components, so that high-order terms are suppressed at late times. Truncating the resulting power series at second order leads to a set of dissipative transient hydrodynamic equations similar to the nonrelativistic limit of equations widely used in simulations of the quark-gluon plasma formed in ultrarelativistic heavy-ion collisions. Transport coefficients are directly determined by the damping constant γ , which quantifies the influence of the environment. The asymptotic limit of our hydrodynamic equations reduces to the celebrated Navier-Stokes equations for a compressible fluid in the presence of a drag force. Furthermore, our results shed new light on the onset of hydrodynamic behavior in open quantum systems where a system with few degrees of freedom is coupled to a large thermal environment.

Hydrodynamics

Electric Grid Simulator For Human Factor Research

The developed code simulates real-time monitor and control for west area of IEEE 118-bus system. The 24-hour load profile for each bus is derived by scaling the system’s rated load in the PSSE sav file according to the California Independent System Operator’s Day-ahead load forecast for May 1, 2024. This simulator performs several critical functions: (1) Calculating time-series power flow every 4 seconds; (2) Updating and dispatching AGC signals every minute; (3) Conducting N-1 contingency analysis every 5 minutes. Additionally, the simulator can trip lines and subsequently update and dispatch AGC signals, running power flow analysis after each tripping event.

Huang, Jianqiao [Idaho National Laboratory (INL),

Study of Quadrupole Fringe Fields in the Interaction Region of the Hadron Storage Ring of the Electron Ion Collider

Fringe fields in quadrupole magnets are usually neglected in studies of beam dynamics at accelerators. However, the extreme optical parameters present in the final focus of a collider such as the Electron–Ion Collider (EIC) may give rise to effects that should not be overlooked. The calculation of quadrupole fringe fields presented in this study follows the procedure outlined in Ref. [1], specialized to the case of a straight reference orbit (i.e., with no dipole field component). A right-handed Cartesian coordinate system is employed, with the $z$-axis aligned with the quadrupole axis and $x$ and $y$ denoting the horizontal and vertical transverse coordinates, respectively. The magnetic quadrupole field gradient, $G = \partial B_y / \partial x$, transitions from its peak value inside the quadrupole—where it is nearly independent of the longitudinal coordinate $z$—to zero at some distance beyond the magnet edge. Consequently, $G$ is treated as a function of $z$. The region over which this variation occurs is defined as the quadrupole fringe field region. The study begins with the development of a description of the magnetic field in the fringe region using a power-series expansion in the transverse coordinates $x$and $y$, consistent with the longitudinally varying gradient. A model for the $z$-dependence of the gradient is then proposed and adjusted to reproduce magnetic field data obtained from three-dimensional field calculations. To evaluate the impact of the fringe fields on beam dynamics, the corresponding vector potential is derived and incorporated into a Hamiltonian formulation of particle motion. The significance of the fringe fields is quantified by calculating the amplitude-dependent tune shift from the Hamiltonian. Using linear beam optics parameters of the Hadron Storage Ring (HSR) of the EIC, the tune shift due to the fringe fields of all quadrupole magnets in the IR-6 interaction region is evaluated. Finally, the resulting tune shifts are compared with those arising from other nonlinear field components present in the HSR.

43 PARTICLE ACCELERATORS

Three-Dimensional Grid Visualization for Planning Activities: A Dubai Case Study

National Laboratory of the Rockies (NLR), in collaboration with the Dubai Electricity and Water Authority (DEWA) and Infra-X, has undertaken the Energy Visualization Analysis Project. The aim of this project is to enhance analytical and 3D visualization capabilities for distribution network planning and renewable energy integration. As modern grid continues to evolve with large-scale solar PV deployment and emerging distributed energy resources (DERs), the ability to effectively analyze, visualize, and communicate complex grid behaviors has become increasingly critical. The project focuses on developing empirical use cases based on real distribution feeder data and engineering workflows, ensuring the outcomes are directly aligned with operational environment. Through time-series power flow simulations and nodal hosting capacity analysis, the study quantifies the impacts of high PV penetration on voltage and thermal limits within representative 11 kV feeders. These analyses identify specific nodes and conditions where DER integration challenges arise. Furthermore, a Battery Energy Storage System (BESS) optimization algorithm was applied to determine the optimal size and placement of storage systems that can mitigate network constraints and enhance hosting capacity. The comparative results between base-case and BESS-augmented scenarios clearly demonstrate improvements in network stability and load management efficiency. In parallel, the NLR team developed an immersive 3D visualization framework, enabling interactive exploration of grid simulations using commodity head-mounted display (HMD) systems. This framework transforms conventional 2D simulation data into spatially intuitive visual environments - allowing engineers to analyze feeder conditions, PV hosting potential, and BESS effects in real time. This report represents the first foundational phase in establishing a visualization-driven analytical ecosystem. It provides a methodological foundation for data integration, visualization architecture, and simulation-based decision support, paving the way for large-scale adoption of immersive visualization across DEWA's Smart Grid Initiative, R&D activities, and future network resilience studies.

24 POWER TRANSMISSION AND DISTRIBUTION

Output Current Estimation and Control in Primary Side LCC Secondary Side Series Compensated Wireless Power Transfer System without Secondary Side Sensors

The estimation (and control) of the output variables is often challenging for wireless power transfer (WPT) systems. This paper presents a secondary side sensor-less closed loop estimation technique to estimate the output current in a primary side LCC and secondary side series compensated WPT system. Using information of primary side variables, the proposed estimation can estimate the output current over a wide range of load current variations. Results are presented to verify the efficacy of the proposed estimation.

Mukherjee, Subho [ORNL] (ORCID:0009000672297925)

NLR HPC Eagle Node Power Data

Power time series captured from all Eagle nodes using iLO (Integrated Lights Out) The Eagle HPC operated at NLR from 2019 through 2024. Eagle was a 2,000-node, 8-petaflop system. This dataset is a comprehensive time series of instantaneous snapshots of power usage at 1 minute intervals from all nodes at the node level. Data provided in compressed Hive dataset/Parquet format. iLO Power Time Series Fields ts: Timestamp dv: Device / Node - Rack and Unit - r103u17 == r(ack)103u(nit)17 vl: Value - Value in watts (instantaneous value at sampling time) day month year

97 MATHEMATICS AND COMPUTING

Power System Resilience Considering Hurricane Storms and Generator Step-up Transformers

Power system resilience describes the system’s ability to withstand and recover quickly from unexpected power outages due to extreme events. As society’s electrification continues at a rapid rate, it is imperative electric infrastructure is designed and operated with extra security. This work studies the impact of severe hurricane storms on the power system located along the United States’ Eastern Seaboard. Specific focus is designated to steady state system operation and loss of large generation step up power transformers. A series of phasor domain power system simulations are conducted to determine the critical point at which the system loses steady state operability. Additionally, active power load shedding and generator dispatching are studied as mitigation and recovery strategies. Results indicate generator dispatching as an effective proactive mitigation strategy and load shedding as an effective recovery strategy.

Liu, Yilu

NLR HPC Eagle GPU Node Metrics

Ganglia node metrics and iLO (Integrated Lights Out) power data captured from six representative Eagle GPU nodes The Eagle HPC operated at NLR from 2019 through 2024. Eagle was a 2,000-node, 8-petaflop system. This dataset is a representative sample of metrics for 6 of the GPU nodes. Each GPU node contained 2 CPUs and 2 GPUs. Data provided in compressed CSV format. Ganglia and iLO Power Time Series Fields ts: Timestamp dv: Device / Node - Rack and Unit - r103u17 == r(ack)103u(nit)17 mt: Metric (only present for Ganglia) vl: Value - Value in watts for iLO power (instantaneous value at sampling time) or specified Ganglia metric below Ganglia Metrics Metric name -- Metric description -- Unit cpu_aidle -- Percent of time since boot idle CPU -- Percent cpu_idle -- Percent CPU idle -- Percent cpu_nice -- Percent CPU nice -- Percent cpu_speed -- Speed in MHz of CPU -- MHz cpu_user -- Percent CPU user -- Percent cpu_wio -- The percentage of CPU Wait I/O -- Percent gpu0_bar1_memory -- Used GPU bar1 memory -- MB gpu0_decoder_util -- GPU decoder utilization -- Percent gpu0_ecc_db_error -- Total ECC error counts for the GPU -- Number gpu0_encoder_util -- GPU encoder utilization -- Percent gpu0_fan -- Fan speed -- RPM gpu0_fb_memory -- Used GPU framebuffer memory -- MB gpu0_graphics_clock_report -- Current clock speeds for the device -- MHz gpu0_mem_total -- Memory total -- MB gpu0_mem_util -- Memory utilization -- Percent gpu0_power_usage_report -- Power usage report -- Watts gpu0_temp -- GPU 1 temperature -- Celsius gpu1_bar1_memory -- Used GPU bar1 memory -- MB gpu1_decoder_util -- GPU decoder utilization -- Percent gpu1_ecc_db_error -- Total ECC error counts for the GPU -- Number gpu1_encoder_util -- GPU encoder utilization -- Percent gpu1_fan -- Fan speed -- RPM gpu1_fb_memory -- Used GPU framebuffer memory -- MB gpu1_graphics_clock_report -- Current clock speeds for the GPU -- MHz gpu1_mem_total -- Memory total -- MB gpu1_mem_util -- Memory utilization -- MB gpu1_power_usage_report -- Power usage report -- Watts gpu1_temp -- GPU 1 temperature -- Celsius ipmi_cpu1_temp -- CPU 1 temperature -- Celsius ipmi_cpu2_temp -- CPU 2 temperature -- Celsius ipmi_inlet_ambient_temp -- Temperature measured at intake -- Celsius ipmi_vr_p1_temp -- CPU 1 voltage regulator temperature -- Celsius ipmi_vr_p2_temp -- CPU 2 voltage regulator temperature -- Celsius mem_buffers -- Amount of buffered memory -- Bytes mem_cached -- Amount of cached memory -- Bytes mem_free -- Amount of available memory -- Bytes mem_shared -- Amount of shared memory -- Bytes mem_total -- Amount of available memory -- Bytes

97 MATHEMATICS AND COMPUTING

Powered By: Transmission Planning

Presented as part of the NREL Grid Planning and Analysis Center's (GPAC) "Powered By" Series, this iteration focuses not on a specific tool but instead on a domain of expertise/capability being built out at NREL: transmission planning. Various sets of tools are integrated together in this presentation to present a combination of transmission focus areas, case studies, tools and future directions of transmission research.

capacity expansion

Simulating Pyrocumulonimbus Clouds Using a Multiscale Wildfire Simulation Framework

Pyrocumulonimbus (pyroCb) clouds, driven by extreme fires under favorable meteorological conditions, can inject smoke into the stratosphere at magnitudes comparable to those of moderate volcanic eruptions, potentially altering the global radiative balance and atmospheric composition. However, simulating pyroCb is particularly challenging in Earth system models. Using the Energy Exascale Earth System Model (E3SM), we developed a novel global multiscale framework to model pyroCb events in California, which includes a high‐resolution fire radiative power time series, a one‐dimensional plume‐rise parameterization, a fire‐induced vertical water vapor transport scheme, and a surface wildfire sensible heat flux representation. Our simulation successfully reproduces many pyroCb features, including cloud height, spatiotemporal evolution, and convective intensity in comparison with satellite and ground‐based observations. Sensitivity experiments show that realistic pyroCb simulation depends on vertical water vapor transport. These advances provide a basis for future exploration of pyroCb impacts at regional and global scales within climate models.

E3SM

Traction Inverter Integrated On-Board DC Fast Charging through Partial Power Processing

This paper introduces an innovative on-board integrated DC charging approach through partial power processing (PPP) in a traction inverter system. The proposed system, incorporating a series-connected partial power dual-active-bridge (DAB) converter, efficiently regulates the DC link voltage to achieve an optimal bus voltage for traction operation across a wide speed and torque range. Leveraging partial and bidirectional power processing, the battery current during charging is precisely regulated without the need for external DC-DC charging equipment, ensuring seamless integration to a DC hub with different voltage levels. This advanced integration also endows the system with bidirectional power exchange capability to/from the external DC hub, i.e., vehicle-to-DC (V2DC).

DAB

Public Reference Data for Megawatt-Scale Hydrogen Electrolysis - NLR Historical Wind

The U.S. Department of Energy and the National Laboratory of the Rockies (NLR) demonstrate hydrogen electrolysis from variable sources, hydrogen compression and storage, and hydrogen fuel cell power production using megawatt-scale equipment at NLR’s Flatirons Campus as part of the Advanced Research on Integrated Energy Systems (ARIES) initiative. This dataset represents part of that effort and is intended for academic, national laboratory, industrial, and other stakeholders to plan, design, and validate models of megawatt-scale hydrogen technologies and diverse energy infrastructure nationwide. These data provide a baseline for how existing hydrogen electrolysis technologies perform when coupled with various energy technologies. Future datasets will demonstrate how existing hydrogen fuel cell technologies can provide controllable, dispatchable, and variable power output for artificial intelligence (AI) data centers and other variable loads. This dataset entry describes hydrogen production by conducting a statistical analysis of historical wind data over a five-year period (2020-2025) from a single 1.5MW turbine manufactured by General Electric (GE) located at NLR’s Flatirons Campus, to generate an experimental test profile that was deployed on a 1.25-MW proton exchange membrane type MC250 electrolyzer system manufactured by Nel Hydrogen . [1] While the electrolyzer balance-of-plant supports up to 2.5 MW of electrolysis, NLR only has a single 1.25-MW electrolysis stack. The historical wind data provided several metrics, however, the analysis particularly focused on the measured power output by the wind turbine. The power output time series of data for each day was categorized by total energy generation and standard deviation, and the day that represented the highest combination of these two metrics was chosen – December 25th, 2022. This process was then repeated for a moving four-hour window within this day to identify the most statistically variable period. Finally, this four-hour period was scaled by 65% to match the 1.25 MW electrolyzer. The electrolysis system controls hydrogen production by varying DC current applied to the stack, from a maximum of 3000 A to a minimum safe operation of 300 A, or 10%. Because the current – voltage characteristic changes as the stack ages and efficiency degrades, the actual minimum safe operating power changes over time. The historical wind profiles were translated from power (kilowatts) to current (amperes) using a curve fit with calibration data and sent to the electrolyzer power supply at 1 Hz frequency. For more details on the statistical analysis process, see the presentation labeled “ Public Reference Data for Megawatt-Scale Hydrogen Electrolysis” provided with each data entry. These datasets report relevant hydrogen balance-of-plant and system data, all captured at 1 Hz, including hydrogen mass production measured with an Emerson Coriolis flow meter. Each .zip file represents a single wind turbine electrolysis experiment and is formatted as follows: {technology}_{scaling factor}-{electrolyzer ramp rate in amperes/second} For instance, “wind-GE1.5MW_0.65-400.zip” represents the hour-long experiment using historical data from the wind-GE1.5MW turbine, scaled to 65%, with the electrolyzer power supply set to a maximum ramp rate (gain and slew) of 400 A/s. Each .zip folder contains the following files: A .csv file containing raw data An .xlsx file explaining all the fields in the raw data. A .png plot showing the time series of hydrogen production, electrolysis power consumption, and wind power input. A PDF file detailing the historical wind data statistical analysis used to generate the wind profile. An experiment labeled “characterization_200.zip” demonstrates the MC250 electrolyzer steady-state response with 30-minute load steps for a total duration of 5 hours. Finally, a .csv file is provided with all simulated wind experiments combined into one dataset labeled "combined_historical_wind_experiments.csv". NLR also built an AI/machine-learning predictive model based on these datasets. The model ingests the electrolyzer current command in amperes, as well as various pressures and temperatures across the system, and predicts hydrogen output in kilograms per hour. The complete model can be found at https://huggingface.co/NatLabRockies/ptmelt-hydrogen-electrolysis [1] nelhydrogen.com/product/mc-series-electrolyser .

08 HYDROGEN

Nanocrystal-to-Ligand Interfacial Thermal Transport: Plasmonic Indium Tin Oxide to Perylene Diimide Adsorbates

The generation and dissipation of heat in nanocrystals upon optical excitation is a process which may either limit or enhance their performance in certain applications. Using transient absorption spectroscopy, we tracked the flow of heat from plasmonic tin-doped indium oxide (ITO) nanocrystals to surface adsorbed perylenediimide (PDI) molecules upon excitation of the ITO near-infrared plasmon resonance. Here, we rationalize the derivative line shapes observed in the transient absorption bleach features are the result of thermal transfer from the ITO core to surface ligands based on temperature-dependent static absorption studies of the PDI molecules adsorbed on plasmonic ITO. Through a series of pump power dependent measurements, we demonstrate that the PDI heating time is largely fluence independent at the powers measured, while the overall recovery time increases. Elucidating thermal transfer rates at the nanocrystal and organic ligand interface is key for applications such as plasmon mediated photocatalysis, where heating may obfuscate hot carrier transfer processes.

heat dissipation

Object-Oriented Controllable High-Resolution Residential Energy (OCHRE) (TM) Model

This presentation describes the OCHRE model as part of NREL's Powered By webinar series. OCHRE is a building energy modeling tool designed to model flexible loads in residential buildings. OCHRE includes detailed models and controls for flexible devices including HVAC equipment, water heaters, electric vehicles, solar PV, and batteries. It is designed to run in co-simulation with custom controllers, aggregators, and grid models.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Powered by dGen Webinar [Slides]

NLR's Powered By Webinar Series featuring NLR's dGen Modeling Tool. The Distributed Generation Market Demand (dGenTM) model simulates customer adoption of distributed energy resources for residential, commercial, and industrial entities in the United States or other countries through 2050. The model enables analysis at multiple geographic levels (national, state, and utility, or below) and offers sophistication in representation of decision-making regarding economic and behavioral considerations. Analysts have used dGen to answer questions about load forecasting and integrated resource planning, policy analysis, locational value of distributed energy resources, and more. dGen is open source, and various energy organizations - including independent system operators, regional transmission organizations, and the California Energy Commission - use the model internally.

29 ENERGY PLANNING, POLICY, AND ECONOMY