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DOE OSTI2025

Enhancing nanoscale charged colloid crystallization near a metastable liquid binodal

Achieving predictive control over crystallization using non-classical nucleation while avoiding kinetic traps would be a step towards designing materials with new functionalities. We address these challenges by inducing the bottom-up assembly of nanocrystals into ordered arrays, or superlattices. Using electrostatics—rather than density—to tune the interactions between particles, we watch self-assembly proceed through a metastable liquid phase. Here, we systematically investigate the phase behaviour as a function of quench conditions in situ and in real time using small-angle X-ray scattering. By fitting to colloid, liquid and superlattice models, we extract the time evolution of each phase and the system phase diagram, which we find to be consistent with short-range attractive interactions. Using the predictive power of the phase diagram, we establish control of the self-assembly rate over three orders of magnitude, and we identify one- and two-step self-assembly regimes, with only the latter implicating the metastable liquid as an intermediate. The presence of the metastable liquid increases the superlattice formation rate relative to the equivalent one-step pathway, and the superlattice order increases with the rate, revealing a generalizable kinetic strategy for promoting and enhancing ordered assembly.

Tanner, Christian P. N. [University of California,↗

DOE OSTI2022

Comparison of Power System Current Sensors via Playback of Electrical Disturbances

The need to accurately measure high-frequency content in power system voltage and current phenomena is increasingly becoming more of a priority. As the amount of distributed energy resources (DER) and nonlinear loads penetrating the grid increases, so do challenges associated with traditional measurement and metering applications. In this paper, three commercially-available medium-voltage-level current sensors are characterized in terms of their harmonic amplitude and phase performance against reference signals that are “played back” through the sensors through the use of an arbitrary waveform generator. It is shown that none of the three sensors studied are able to faithfully replicate all of the input signals completely, though there are advantages and disadvantages to each in terms of noise, resonance, and induced phase drift. Additionally, the Goodness-of-Fit metric, typically used for PMU model validation, is used to generate side-by-side comparisons of sensor accuracy over a small window around the events under study.

Wilson, Aaron↗

DOE OSTI2025

CyRRL (Cyber Resilient Reinforcement Learning for grid voltage control) [SWR-24-115]

This codebase contains a multi-agent, actor-critic reinforcement learning implementation for cyber-resilient grid voltage control. It uses a 123-bus OpenDSS system as the environment, with three-phase power flow translating nodal power injections into solved nodal voltages. The reward function penalizes deviations from nominal voltage as well as reactive power dispatch, while encouraging agents to take actions that result in fast convergence to nominal conditions. The codebase models false data injection attacks and includes functionality for training, testing, hyper-parameter tuning, and visualization.

Murphy, Sinnott [National Renewable Energy Laborat↗

DOE OSTI2021

Post-explosion Evolution of Core-collapse Supernovae

Here we investigate the post-explosion phase in core-collapse supernovae with 2D hydrodynamical simulations and a simple neutrino treatment. The latter allows us to perform 46 simulations and follow the evolution of the 32 explosion models during several seconds. We present a broad study based on three progenitors (11.2, 15, and 27 M ⊙ ), different neutrino heating efficiencies, and various rotation rates. We show that the first seconds after shock revival determine the final explosion energy, remnant mass, and properties of ejected matter. Our results suggest that a continued mass accretion increases the explosion energy even at late times. We link the late-time mass accretion to initial conditions such as rotation strength and shock deformation at explosion time. Only some of our simulations develop a neutrino-driven wind (NDW) that survives for several seconds. This indicates that NDWs are not a standard feature expected after every successful explosion. Even if our neutrino treatment is simple, we estimate the nucleosynthesis of the exploding models for the 15 M ⊙ progenitor after correcting the neutrino energies and luminosities to get a more realistic electron fraction.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Effective $\mathbb{Z}_{3}$ model for finite-density QCD with tensor networks

The tensor renormalization group is a promising numerical method used to study lattice statistical field theories. However, this approach is computationally expensive in 2+1 and 3+1 dimensions. Here we use tensor renormalization group methods to study an effective three-dimensional $\mathbb{Z}_{3}$ model for the heavy-quark, high-temperature, strong-coupling limit of single-flavor 3+1 dimensional quantum chromodynamics. Our results are cross-checked using the worm Monte Carlo algorithm. We present the phase diagram of the model through the measurement of the Polyakov loop, the nearest-neighbor Polyakov loop correlator, and their susceptibilities. The tensor renormalization group results are in good agreement with the literature

Bloch, Jacques↗

DOE OSTI2026

OC7 phase I: CFD investigation of viscous forces on rectangular members of semisubmersibles

In Phase I of the Offshore Code Comparison Collaboration 7 (OC7) project, we aim to address key questions related to the modeling of viscous hydrodynamic loads on floating platforms. Here, this paper presents results from a collaborative effort within Phase I of the OC7 project. We investigate viscous forces acting on the rectangular members of semisubmersible platforms using high-fidelity computational fluid dynamics (CFD) simulations. The parametric CFD analyses include two-and-a-half-dimensional (2.5D) simulations of pontoon sections of two different semisubmersible platform designs (the VolturnUS-S and the INO WINDMOOR) and full three-dimensional (3D) structure simulations of the VolturnUS-S platform. We extract both the added mass and drag coefficients that are typically used in engineering-level hydrodynamic models from the 2.5D forced oscillation simulations with various Keulegan-Carpenter numbers and compare them to the coefficients from the 3D forced oscillation simulations. We observe consistent variation of the coefficients along the pontoon legs due to 3D platform and free-surface effects. With the breadth of the simulations and component-level detailed analyses, this work establishes a useful database and several empirical formulas for selecting hydrodynamic coefficients when modeling semisubmersible platforms in engineering tools.

13 HYDRO ENERGY↗

DOE OSTI2022

Heat transfer in directly-irradiated high-temperature solid–gas flows laden with polydisperse particles

Heat transfer in directly-irradiated high-temperature solid–gas flows laden with polydisperse particles is investigated using a novel transient three-dimensional computational fluid dynamics model. The model couples particle–gas hydrodynamics of solid–gas flows laden with polydisperse particles, radiative heat transfer in non-grey absorbing, emitting and anisotropically-scattering multi-component participating media, conduction heat transfer in the gas phase, and interfacial convection heat transfer. The multiphase particle-in-cell method is used to predict high-fidelity solid–gas flow characteristics, such as the local discrete particle size distribution, with increased computational efficiency by combining the advantages of both Eulerian and Lagrangian methods. The multi-component radiative transfer model is implemented using an advanced collision-based Monte Carlo ray-tracing method. The number of the prescribed discrete particle components is found to be the key parameter affecting the computational accuracy and efficiency, which primarily depends on the size distribution of the particles. For the model particle–gas flow featuring free-falling Gamma-distributed ceramic particles exposed to concentrated solar irradiation, the particle volume fraction, radiative, fluid flow and thermal characteristics appear to converge with the increasing number of the discrete particle components. Five particle components are sufficient to obtain physically meaningful results. A further increase in the number of the particle components only slightly increases the accuracy of the numerical predictions at the expense of a rapidly increasing computational time. For five particle components, the particle vertical velocity at the receiver exit for particles with the diameter of 43.4 μm is 57% of that for the particles with the diameter of 202.8 μm. The temperatures of these two particle components increase from the initial ambient values by factors of 2 and 1.2, respectively, during the simulation time. In conclusion, the model developed allows for increased fidelity of particle–gas flow simulations with significant radiative effects.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Crust and Upper Mantle Structure Beneath the Eastern United States

Abstract The Eastern United States (EUS) has a complex geological history and hosts several seismic active regions. We investigate the subsurface structure beneath the broader EUS. To produce reliable images of the subsurface, we simultaneously invert smoothed P‐wave receiver functions, Rayleigh‐wave phase and group velocity measurements, and Bouguer gravity observations for the 3D shear‐wave speed. Using surface‐wave observations (3–250 s) and spatially smoothed receiver functions, our velocity models are robust, reliable, and rich in detail. The shear‐wave velocity models fit all three types of observations well. The resulting velocity model for the eastern U.S. shows thinner crust beneath New England, the east coast, and the Mississippi Embayment (ME). A relatively thicker crust was found beneath the stable North America craton. A relatively slower upper mantle was imaged beneath New England, the east coast, and western ME. A comparison of crust thickness derived from our model against four recent published models shows first‐order consistency. A relatively small upper mantle low‐speed region correlates with a published P‐wave analysis that has associated the anomaly with a 75 Ma kimberlite volcanic site in Kentucky. We also explored the relationship between the subsurface structure and seismicity in the eastern U.S. We found that earthquakes often locate near regions with seismic velocity variations, but not universally. Not all regions of significant subsurface wave speed changes are loci of seismicity. A weak correlation between upper mantle shear velocity and earthquake focal mechanism has been observed.

58 GEOSCIENCES↗

DOE OSTI2022

Geometric transformation and three-dimensional hopping of Hopf solitons

Arising in many branches of physics, Hopf solitons are three-dimensional particle-like field distortions with nontrivial topology described by the Hopf map. Despite their recent discovery in colloids and liquid crystals, the requirement of applied fields or confinement for stability impedes their utility in technological applications. Here we demonstrate stable Hopf solitons in a liquid crystal material without these requirements as a result of enhanced stability by tuning anisotropy of parameters that describe energetic costs of different gradient components in the molecular alignment field. Nevertheless, electric fields allow for inter-transformation of Hopf solitons between different geometric embodiments, as well as for their three-dimensional hopping-like dynamics in response to electric pulses. Numerical modelling reproduces both the equilibrium structure and topology-preserving out-of-equilibrium evolution of the soliton during switching and motions. Our findings may enable myriads of solitonic condensed matter phases and active matter systems, as well as their technological applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

ZTF-SEDm Type Ia supernova sample for Twins Embedding spectrophotometric standardization

Aims. This paper has two aims: the first aim is to build a large homogeneous spectrophotometric sample of Type Ia supernovae (SNe Ia) from the second data release of the Zwicky Transient Facility (ZTF DR2). We used the spectrum sample from the low-resolution ( R ∼ 100) SEDmachine (SEDm) Integral Field Spectrograph (IFS) that gathered 3069 spectra. This is one of the largest samples of such collections that can attempt to reproduce the Twins Embedding (TE) spectrophotometric standardization method. This is our second objective. The method was developed based on high-quality spectra from 200 SNe Ia of the Nearby Supernova factory (SNfactory) and led to an exceptionally low value of 0.073 mag for the intrinsic scatter. Methods. As the SEDm is not designed as a spectrophotometric instrument, we first improved the flux-calibration accuracy of the SN Ia spectrum sample using the ZTF photometric data, which were calibrated at the percent level. We corrected the spectra for second-order polynomials, fitted by comparing the synthetic photometry in the ZTF g , r , i filters with the light-curve (LC) data. We then applied the three steps of the TE parameterization to a subset of 783 ZTF SN spectra near maximum light while comparing results from SNfactory and ZTF. We finally analyzed the standardization methods based on the TE parameters. Results. The precision of the phase-correction model, which is the first step of the TE, is estimated at 0.01 mag in g band based on ZTF data. Despite the challenge posed by the spectrum-extraction pipeline associated with the SEDm (flux calibration, leftover host signal, low signal-to-noise ratio, and low resolution), we applied a first standardization in color based on the second step of the TE, called read between the lines (RBTL), to the ZTF sample. We reached a Hubble residual scatter of 0.153 mag, all in normalized median absolute deviation, which is to be compared to the ∼0.11 mag obtained with the SNfactory data. The SALT color and stretch standardization reaches a scatter of 0.164 mag for the same ZTF SN Ia sample, and its host steps are ∼0.1 mag and zero for RBTL. When considering the scatter due to the redshift error and flux calibration error, we estimated a RBTL scatter of ∼0.129 mag for this ZTF sample as an upper limit because we identified an additional contribution from a systematic error in color. We tested the standardization based on the nonlinear TE parameters, and, as expected from the low spectrum quality, it did not improve the overall dispersion. Conclusions. We release 1897 flux calibrated spectra of 1607 SNe Ia with an estimated photometric accuracy of 0.07 mag. We further demonstrate that some amount of spectrophotometric SN Ia standardization can be done with limited-quality spectra. The RBTL standardization is more efficient than that of SALT with one parameter less, and the resulting host steps are consistent with zero. This makes it less prone to astrophysical bias. For future spectroscopic surveys, targeting the extraction pipeline for a thorough flux calibration and good signal-to-noise ratio would enable us to compute the full TE standardization, which would further reduce the scatter in the distance estimate.

Ganot, C↗

DOE OSTI2021

The magnetic structure of long-wavelength magnetohydrodynamic modes in current-carrying stellarator plasmas

Magnetic field fluctuations are observed in current-carrying stellarator plasmas when the rotational transform is close to a rational value at the edge of the plasma. At low plasma pressure, these fluctuations are associated with perturbed currents parallel to the equilibrium magnetic field lines. A model for these magnetohydrodynamic modes in a low-β, three-dimensional stellarator equilibria has been developed. A set of helical current filaments are constrained to mimic the structure of magnetic field lines on rational surfaces derived from three-dimensional (3D) equilibrium reconstructions. Transformation to straight field line coordinates then allows fitting of the poloidal magnetic sensor data to a single harmonic function, which fixes the modeled toroidal mode structure via the field line flow geometry. The developed procedure accurately captures phase and amplitude variation for m/n = 3/2, 3/1, and 4/1 modes in the 3D equilibria of the compact toroidal hybrid experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

A Digital Twin for an Inverter-Based Resource Power Plant: Real-time data streaming unlocks situation awareness

Here, this study presents the development and successful implementation of a digital twin specifically designed for a grid-connected IBR power plant. By integrating a reduced-order model of the IBR system and dynamically updating the grid impedance with real-time data, the digital twin effectively captures and replicates the behavior of the physical system. Its accuracy and reliability are validated through critical test scenarios, including a three-phase fault and a line-tripping event. The results confirm that the digital twin closely emulates its physical counterpart, demonstrating its strong potential for real-time analysis, system monitoring, and predictive decision making in modern power systems.

Digital twins↗

DOE OSTI2025

Impact of Electrolyte Solvent on Li 4 Ti 5 O 12 /LiNi 0.90 Mn 0.05 Co 0.05 O 2 Battery Performance for Behind-the-Meter Storage Applications

Behind-the-Meter Storage (BTMS) systems require dedicated development of battery materials that target long cycle life and low cost at the system level. Pairing Li 4 Ti 5 O 12 (LTO) and LiNi 0.9 Mn 0.05 Co 0.05 O 2 (NMC90-5-5) shows promise to achieve targets for BTMS applications; however, minimal literature is available that discusses electrolyte solvent selection for this pairing. This study explores the role of electrolyte solvent on cycle life in LTO/NMC90-5-5 batteries. Four model electrolytes are evaluated; the baseline, Gen2, is compared with 1M LiPF 6 added to each of three separate solvents: ethylene carbonate (EC), ethyl methyl carbonate (EMC), and fluoroethylene carbonate (FEC). An additional consideration is that NMC90-5-5 undergoes an H2→H3 phase transition that allows for a significant increase to capacity; however, it’s unclear how this phase transition impacts electrolyte stability and cycle life. Therefore, the phase transition is avoided or accessed by cycling to 2.6V or 2.7V, respectively. The cells with Gen2, cycled to 2.6V, show the highest capacity retention due to EC passivating the LTO, EMC improving stability at the NMC90-5-5, and avoiding increased degradation from the 2.7V protocol. Despite having high initial reactivity that causes Li-depletion, FEC was the only solvent to avoid increased degradation when moving to the higher termination voltage.

25 ENERGY STORAGE↗

DOE OSTI2025

BOPTest As a Platform for Building Controls and Grid-Interactive Buildings Workforce Training

Building automation and controls are becoming increasingly complex with the emergence of Grid Integrated Efficient Buildings (GEBs) as well as new highly efficient sequences of operation and data-driven control schemes. However, there remains a significant gap in hands-on training opportunities for building operators and technicians to gain practical experience with advanced control systems in a low-risk environment. This paper presents BOPTEST (Building Optimization Performance Test) as a suitable platform for workforce training in building controls and GEB technologies. BOPTEST provides a suite of standardized building simulation test cases with a REST API, real-time control interfaces through BACnet, semantic models connecting users to building data, and built-in calculation of control metrics and performance indicators. The platform enables trainees to interact with virtual buildings using industry-standard protocols while learning how to implement and innovate control strategies. The training platform is designed to offer a structured and interactive learning experience for building engineers, helping them effectively develop, learn, and retain skills in fault identification, troubleshooting, and correction. The workflow is divided into three main phases: 1) Setup, 2) Exercise, and 3) Review, each comprising specific activities performed by either the instructor or the student. Initial pilot training sessions have yielded positive feedback from instructors and participants and demonstrates that BOPTEST effectively fills an industry need for a low-risk training resource via simulation of real building control systems, allowing trainees to gain practical experience before working in the field. The platform's ability to provide immediate performance feedback while maintaining familiar industry interfaces makes it particularly suitable for workforce development programs. This work provides a replicable model for leveraging building simulation in control education and training.

Paul, Lazlo↗

DOE OSTI2025

BOPTEST as a Platform for Building Controls and Grid-Interactive Buildings Workforce Training

Paul, Lazlo↗

DOE OSTI2026

OC6 Phase III: Validation of Wind Turbine Aerodynamic Loading During Surge/Pitch Motion

The objective of Phase III of the Offshore Code Comparison Collaboration, Continued, with Correlation and unCertainty (OC6) project was to validate the accuracy of aerodynamic load predictions by offshore wind modeling tools for a floating offshore wind turbine as it experiences large surge-translational and pitch-rotational motion, as would occur during normal operation. The test data considered were generated at Politecnico di Milano – a wind tunnel with a robotic excitation system to emulate wave loading on the wind turbine. Testing was performed using a scaled version of the DTU 10-MW reference model, and motion was prescribed as harmonic oscillations in the surge and pitch directions, independently. A variety of models were examined in the project, performing a three-way validation between engineering-level tools, higher-fidelity tools, and measurement data from two wind tunnel experimental campaigns. The Load Cases (LC) considered in this testing are as follows: LC 1.X - Steady Wind LC 2.X - Unsteady Wind - Surge Motion LC 3.X - Unsteady Wind - Pitch Motion Details on the results of the OC6 Phase III campaign can be found in the following reference: Bergua R., et al. OC6 project Phase III: validation of the aerodynamic loading on a wind turbine rotor undergoing large motion caused by a floating support structure, Wind Energ. Sci., 8, 465–485, https://doi.org/10.5194/wes-8-465-2023, 2023.

17 WIND ENERGY↗

DOE OSTI2021

Modeling brittle fracture due to anisotropic thermal expansion in polycrystalline materials

Here, this work investigated brittle fracture of polycrystalline materials due to thermal stresses arising from anisotropic thermal expansion. We used phase-field fracture simulations with the properties of alpha-uranium (α-U) and assumed a linear elastic mechanical response. Three-dimensional simulations were used to predict fracture for various conditions and crystallographic textures. We found that fracture was more pronounced during cooling than during heating because the anisotropy increased with temperature. We also found that the total crack surface area increased with increasing average misorientation, while the net shape change of the material decreased with increasing misorientation. Two-dimensional simulations in which one crystallographic coefficient of thermal expansion (CTE) was set to zero indicated that the expansion behavior in the crystallographic direction with the smallest CTE was the primary cause of fracture.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Measurement of the Z boson invisible width at $\sqrt{s}=13$ TeV with the ATLAS detector

A measurement of the invisible width of the Z boson using events with jets and missing transverse momentum is presented using 37 fb -1 of 13 TeV proton–proton data collected by the ATLAS detector in 2015 and 2016. The ratio of Z → inv to Z → ℓℓ events, where inv refers to non-detected particles and ℓ is either an electron or a muon, is measured and corrected for detector effects. Events with at least one energetic central jet with p T ≥ 110 GeV are selected for both the Z → inv and Z → ℓℓ final states to obtain a similar phase space in the ratio. The invisible width is measured to be 506 ± 2 (stat.) ± 12 (syst.) MeV and is the single most precise recoil-based measurement. The result is in agreement with the most precise determination from LEP and the Standard Model prediction based on three neutrino generations.

13000 GeV-cms↗