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DOE OSTI2024

Drug-induced kidney injury: challenges and opportunities

Abstract Drug-induced kidney injury (DIKI) is a frequently reported adverse event, associated with acute kidney injury, chronic kidney disease, and end-stage renal failure. Prospective cohort studies on acute injuries suggest a frequency of around 14%–26% in adult populations and a significant concern in pediatrics with a frequency of 16% being attributed to a drug. In drug discovery and development, renal injury accounts for 8 and 9% of preclinical and clinical failures, respectively, impacting multiple therapeutic areas. Currently, the standard biomarkers for identifying DIKI are serum creatinine and blood urea nitrogen. However, both markers lack the sensitivity and specificity to detect nephrotoxicity prior to a significant loss of renal function. Consequently, there is a pressing need for the development of alternative methods to reliably predict drug-induced kidney injury (DIKI) in early drug discovery. In this article, we discuss various aspects of DIKI and how it is assessed in preclinical models and in the clinical setting, including the challenges posed by translating animal data to humans. We then examine the urinary biomarkers accepted by both the US Food and Drug Administration (FDA) and the European Medicines Agency for monitoring DIKI in preclinical studies and on a case-by-case basis in clinical trials. We also review new approach methodologies (NAMs) and how they may assist in developing novel biomarkers for DIKI that can be used earlier in drug discovery and development.

Connor, Skylar (ORCID:0000000233479180)↗

DOE OSTI2022

Grid-Forming and Grid-Following Inverter Comparison of Droop Response

With the increase in penetration of inverter-based resources (IBRs) in the electrical power system, the ability of these devices to provide grid support to the system has become a necessity. With standards previously developed for the interconnection requirements of grid-following inverters (GFLI) (most commonly photovoltaic inverters), it has been well documented how these inverters “should” respond to changes in voltage and frequency. However, with other IBRs such as grid-forming inverters (GFMIs) (used for energy storage systems, standalone systems, and as uninterruptable power supplies) these requirements are either: not yet documented, or require a more in deep analysis. With the increased interest in microgrids, GFMIs that can be paralleled onto a distribution system have become desired. With the proper control schemes, a GFMI can help maintain grid stability through fast response compared to rotating machines. This paper will present an experimental comparison of commercially available GFMI and GFLI ' responses to voltage and frequency deviation, as well as the GFMI operating as a standalone system and subjected to various changes in loads.

Grid Support, Inverter, Droop Control, Volt-VAR, F↗

DOE OSTI2024

Cavity Based Searches for New Particles and Gravitational Waves

The Superconducting Quantum Materials and Systems Center, led by Fermi National Accelerator Laboratory, is one of five research centers funded by the U.S. Department of Energy as part of a national initiative to develop and deploy the world’s most powerful quantum computers and sensors. The SQMS Center uses world-record quality-factor superconducting radio-frequency, or SRF, cavities as ultra-sensitive quantum probes. Within the quantum sensing thrust, researchers are developing experiments based on cavities and novel quantum devices to search for particles beyond the Standard Model, dark matter candidates, gravitational waves and fundamental material properties. The seminar will focus mostly on Dark SRF and MAGO activities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

On Final Results From the Muon $g\mathrm{-}2$ Experiment at Fermilab

The Muon g-2 Experiment at Fermilab has measured the muon anomalous magnetic moment, a_mu, with unprecedented precision, leveraging a dataset from Runs 1 6 that is 21 times larger than its Brookhaven predecessor. This talk will present the experiment s final result, which serves as a benchmark for testing the Standard Model with high precision. The measurement was performed in a storage ring with a highly uniform magnetic field, where precise beam dynamics understanding is vital to determine the muon anomalous precession frequency. Key to this effort were advanced simulation tools including COSY INFINITY, precise fringe field modeling, and calculations of beam dynamics characteristics like tunes and chromaticity. We will conclude by exploring how the experiment's findings reshape our understanding of particle physics.

Valetov, Eremey [Michigan State U.]↗

DOE OSTI2024

Dark Sector and Gravitational Waves Searches with SRF Cavities at SQMS

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Neural Network Analysis of Nuclear Magnetic Resonance and Infrared Spectra

Nuclear magnetic resonance (NMR) spectroscopy and infrared (IR) spectroscopy are powerful chemical characterization techniques with broad general usage. However, the manual evaluation of the resulting spectra is time-consuming and requires significant expertise, preventing insights from being used in real-time applications. With recent advances in computation and artificial intelligence (AI), new tools are available for automating spectral interpretation. In this work, machine learning (ML) algorithms using 1-dimensional convolutional neural networks (CNNs) were applied to identify common functional groups from spectral information. Raw spectra were collected virtually from the Human Metabolome Database (HMDB) and National Institute of Standards and Technology (NIST) Chemistry WebBook and processed into a suitable standard. Algorithm design was tailored to best fit the nature of the problem, with built-in flexibility to accommodate relevant parameters beyond the raw spectral input, specifically solvent identity and magnetic frequency for NMR. The predictive capability of the algorithm in identifying functional groups is displayed in several examples. This methodology has been compiled into a code repository and could easily be modified to adapt alternative data sources, including other spectrum types. To mitigate overfitting, a common problem in mathematical modeling where overfamiliarity with training data produces trends that are not representative of the general data, a novel metric was developed, referred to as Accufit. Accufit includes a parameter that penalizes substantial differences in the training accuracy and the accuracy of an independent validation set. Examples are presented showing the effectiveness of Accufit in maintaining the model’s predictive capability while controlling the overfitting when used as a custom metric for hyperparameter tuning.

Sturgill, James↗

DOE OSTI2024

STITCHES: a Python package to amalgamate existing Earth system model output into new scenario realizations

Understanding the interaction between humans and the Earth system is a computationally daunting task, with many possible approaches depending on resources available and questions of interest. For example, state-of-the-art impact models require decade-long time series of relatively high frequency, spatially resolved and often multiple variables representing climatic impact-drivers (Ruane et al., 2022). Most commonly these are derived from the outputs of detailed, computationally expensive Earth System Models (ESMs) run according to a standard, limited set of future scenarios, the latest being the SSP-RCPs run under CMIP6/ScenarioMIP (Eyring et al., 2016; O’Neill et al., 2016). At the time of writing, O’Neill et al. (2016) has been cited more than 1750 times and Eyring et al. (2016) more than 5000 times, highlighting the broad, general applications of this data. Often, however, impact modeling seeks to explore new scenarios that were not part of the ScenarioMIP protocol, and/or needs a larger set of initial condition ensemble members than are typically available to quantify the effects of ESM internal variability. In addition, the recognition that the human and Earth systems are fundamentally intertwined, and may feature potentially significant feedback loops, is making integrated, simultaneous modeling of the coupled human-Earth system increasingly necessary, if computationally challenging with most existing tools (Thornton et al., 2017). For impact modelers, climate model emulators can be the answer to meet both the needs of: 1) creating realizations for novel scenarios and 2) achieving a simplified, computationally tractable representation of ESM behavior in a coupled human-Earth system modeling framework. We proposed a new, comprehensive approach to such emulation of gridded, multivariate ESM outputs for novel scenarios without the computational cost of a full ESM, STITCHES (Tebaldi et al., 2022). The approach outlined in Tebaldi et al. (2022) should be extensible to future CMIP eras, although the STITCHES software at present is strictly focused on CMIP6/ScenarioMIP data hosted on Pangeo (https://gallery.pangeo.io/repos/pangeo-gallery/cmip6/). The corresponding STITCHES Python package uses existing archives of ESMs’ scenario experiments from CMIP6/ScenarioMIP to construct gridded, multivariate realizations of new scenarios provided by reduced complexity climate models (Hartin et al., 2015; Meinshausen et al., 2011; Smith et al., 2018), or to enrich existing initial condition ensembles. Its output provides the same characteristics as the emulated ESM output: multivariate (spanning potentially all variables that the ESM has saved), spatially resolved (down to the native grid of the ESM), and preserving the same high frequency as the original data. A new realization of multiple variables can be generated on the order of minutes with STITCHES, rather than the hours or sometimes days that ESMs require.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Combining quantum noise reduction resources: A practical approach

Optomechanical sensors are capable of transducing external perturbations to resolvable optical signals. A particular regime of interest is that of high-bandwidth force detection, where an impulse is delivered to the system over a short period of time. Exceedingly sensitive impulse detection has been proposed to observe very weak signals like those due to long-range interactions with dark matter that require much higher sensitivities than current sensors can provide. Quantum resources to go beyond the traditional standard quantum limit of these sensors include squeezing of the light used to transduce the signal, backaction evasion by measuring the optimal quadrature, and quantum nondemolition (QND) measurements that reduce backaction directly. These methods have been developed in the context of gravitational wave detection for target frequencies in the audio band range. Here, we provide the theoretical limits to quantum noise reduction for higher and broader frequency targets, such as those from dark matter signals, while combining quantum-enhanced readout techniques based on squeezed light and QND measurements with optomechanical sensors. Here, we demonstrate that backaction evasion through QND techniques dramatically reduces the technical challenges presented when using squeezed light for broadband force detection, paving the way for combining multiple quantum noise reduction techniques for enhanced sensitivity in the context of impulse metrology.

Optomechanics↗

DOE OSTI2023

Thermal conductivity measurement using modulated photothermal radiometry for nitrate and chloride molten salts

Molten salts are being used or explored for thermal energy storage and conversion systems in concentrating solar power and nuclear power plants. Thermal conductivity of molten salts is an important thermophysical property dictating the performance and cost of these systems, but its accurate measurement has been challenging, as evidenced by wide scattering of existing data in literature. The corrosive and conducting nature of these fluids also leads to time consuming sample preparation processes of many contact-based measurements. Here, in this work, we report the measurement of thermal conductivity of molten salts using a modulated photothermal radiometry (MPR) technique, which is a laser-based, non-contact, frequency-domain method adopted for molten salts for the first time. By unitizing the advantages of front side sensing of frequency-domain measurements and the vertical holder orientation, the technique can minimize the natural convection and salt creeping effects, thus yielding accurate molten salt thermal conductivity . The MPR technique is first calibrated using standard molten materials including paraffin wax and sulfur. It is then applied on measuring pure nitrate salts (NaNO 3 and KNO 3 ), solar salt (NaNO 3 –KNO 3 mixture), and chloride salt (NaCl–KCl–MgCl 2 ). The measurement results are compared with data from literature, especially those obtained from laser flash analysis (LFA). Our results demonstrate that the MPR is a convenient and reliable technique of measuring thermal conductivity of molten salts. Accurate thermal conductivity data of molten salts will be valuable in developing the next-generation high-temperature thermal energy storage and conversion systems.

14 SOLAR ENERGY↗

DOE OSTI2023

QUIJOTE scientific results – IV. A northern sky survey in intensity and polarization at 10–20 GHz with the multifrequency instrument

ABSTRACT We present QUIJOTE intensity and polarization maps in four frequency bands centred around 11, 13, 17, and 19 GHz, and covering approximately 29 000 deg2, including most of the northern sky region. These maps result from 9000 h of observations taken between May 2013 and June 2018 with the first QUIJOTE multifrequency instrument (MFI), and have angular resolutions of around 1°, and sensitivities in polarization within the range 35–40 µK per 1° beam, being a factor ∼2–4 worse in intensity. We discuss the data processing pipeline employed, and the basic characteristics of the maps in terms of real space statistics and angular power spectra. A number of validation tests have been applied to characterize the accuracy of the calibration and the residual level of systematic effects, finding a conservative overall calibration uncertainty of 5 per cent. We also discuss flux densities for four bright celestial sources (Tau A, Cas A, Cyg A, and 3C274), which are often used as calibrators at microwave frequencies. The polarization signal in our maps is dominated by synchrotron emission. The distribution of spectral index values between the 11 GHz and WMAP 23 GHz map peaks at β = −3.09 with a standard deviation of 0.14. The measured BB/EE ratio at scales of ℓ = 80 is 0.26 ± 0.07 for a Galactic cut |b| > 10°. We find a positive TE correlation for 11 GHz at large angular scales (ℓ ≲ 50), while the EB and TB signals are consistent with zero in the multipole range 30 ≲ ℓ ≲ 150. The maps discussed in this paper are publicly available.

Astronomy & Astrophysics↗

DOE OSTI2025

Quantum-Enhanced Sensing of Axion Dark Matter with a Transmon-Based Single Microwave Photon Counter

We report an axion dark matter search with a haloscope equipped with a microwave photon counter. The haloscope is a tunable high quality factor three-dimensional microwave cavity placed in a magnetic field. The photon counter, operated cyclically, maps an incoming microwave photon onto the state of a superconducting transmon qubit. The measurement protocol continuously monitors the power emitted by the haloscope cavity as well as the dark count background and enables tuning of the cavity frequency to probe different axion masses. With this apparatus, we enhance by a factor of 20 the search speed that can be reached with quantum-limited linear amplifiers and set a new standard for probing the existence of axions with resonant detectors above 5 GHz. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Scalable Enrichment of 48 Ca at the Solid/liquid Interface by Chemical and Electrochemical Methods

This award targets to develop methods to enrich 48 Ca, which is a critical isotope for synthesizing superheavy elements and testing the standard model through neutrinoless double beta decay. The team first tested chemical exchange-based separation between solids and liquids, which is based on the free energy change due to the different vibrational frequencies caused by Ca isotopes in a material. However, the separation factor (alpha), which is defined as the ratio of 40 Ca/ 48 Ca ratios in the two phases, only reach ~1.01. The team then developed liquid centrifugation-based isotope separation, where a Ca salt aqueous solution is centrifuged at a speed of ~60 kRPM, and 48 Ca is enriched at the bottom of a centrifuge tube due to its larger mass. A high α of ~1.2-1.4 is achieved for 40 Ca/ 48 Ca at 40 °C. This method is further approved to be generic for any isotope that can be dissolved in a liquid solution or form liquid chemicals near room temperature. The experimental results also align well with modeling prediction. The team further develop a model to evaluate isotope separation in countercurrent liquid centrifugation. The team found that the countercurrent configuration can also enhance isotope separation in liquids, similar with gas centrifugation, which boost separation for isotopes which are difficult to be gasified near room temperature.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2026

What Technical Choices Matter to Characterize Heat Wave and Cold Snap Events in Support of Bulk Power Grid Reliability Studies?

Extreme weather events, such as Heat Waves (HW) and Cold Snaps (CS), pose significant risks to the power grid. The United States (U.S.) Federal Energy Regulatory Commission Order No. 896 mandates regional coordination standards that account for extreme thermal events. However, the lack of a universal definition for extreme thermal events may lead to inconsistent compliance efforts among neighboring entities, undermining the reliability of the transmission system. This study directly addresses this challenge by systematically evaluating how varying technical choices in defining HW and CS fundamentally impact the characterization and ranking of extreme events for power grid reliability studies. We used 12 event definitions and multiple temperature spatial aggregation approaches to construct historical (1980–2024) regional extreme thermal event libraries across North American Electric Reliability Corporation (NERC) subregions in the conterminous U.S. We examined the sensitivity of event characteristics (e.g., duration, frequency, intensity, and spatial coverage) to different definitions. While some definitions produced similar libraries and top event rankings, definitions based on moving-window-averaged temperatures yielded markedly different characteristics. Spatial aggregation methods had minimal impact on heat wave or cold snap intensity, frequency and duration but significantly influenced spatial coverage. The top events identified across different aggregation methods were consistent, but their ranking order varied. These findings offer critical insights for characterizing and selecting extreme thermal events and for supporting local and cross-regional coordination as required by reliability standards.

Wan, Heng [Pacific Northwest National Laboratory (↗

DOE OSTI2024

Grid Integration of Offshore Wind Power: Standards, Control, Power Quality and Transmission

Offshore wind is expected to be a major player in the global efforts toward decarbonization, leading to exceptional changes in modern power systems. Understanding the impacts and capabilities of the relatively new and uniquely positioned assets in grids with high integration levels of inverter-based resources, however, is lacking, raising concerns about grid reliability, stability, power quality, and resilience, with the absence of updated grid codes to guide the massive deployment of offshore wind. To help fill the gap, this paper presents an overview of the state-of-the-art technologies of offshore wind power grid integration. First, the paper investigates the most current grid requirements for wind power plant integration, based on a harmonized European Network of Transmission System Operators (ENTSO-E) framework and notable international standards, and it illuminates future directions. The paper discusses the wind turbine and wind power plant control strategies, and new control approaches, such as grid-forming control, are presented in detail. The paper reviews recent research on the ancillary services that offshore wind power plants can potentially provide, which, when harmonized, will not only comply with regulations but also improve the value of the asset. The paper explores topics of wind power plant harmonics, reviewing the latest standards in detail and outlining mitigation methods. The paper also presents stability analysis methods for wind power plants, with discussions centered on validity and computational efficiency. Finally, the paper discusses wind power plant transmission solutions, with a focus on high-voltage direct-current topologies and controls.

17 WIND ENERGY↗

DOE OSTI2024

Local modeling for FRF estimation with noisy input measurements

The frequency response function (FRF) is an essential means by which dynamic systems are qualified. In recent years, local modeling approaches have been extensively researched and shown to significantly outperform traditional FRF estimators. However, the standard local modeling approach assumes a perfectly-known system input, which results in biased FRF estimates in the presence of input noise. This paper derives a simple adjustment that can be used to improve FRF estimation for systems subjected to random excitation with noisy input data. This improvement can be implemented with little modification to standard local modeling algorithms and with little additional computational burden. The adjustment is coupled with a model selection procedure to avoid underfitting and overfitting. In conclusion, the methods presented in this paper are validated on a simulation, and they are shown to reduce bias due to input noise.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Second release of the CoRe database of binary neutron star merger waveforms

Abstract We present the second data release of gravitational waveforms from binary neutron star (BNS) merger simulations performed by the Computational Relativity ( CoRe ) collaboration. The current database consists of 254 different BNS configurations and a total of 590 individual numerical-relativity simulations using various grid resolutions. The released waveform data contain the strain and the Weyl curvature multipoles up to ℓ = m = 4 . They span a significant portion of the mass, mass-ratio, spin and eccentricity parameter space and include targeted configurations to the events GW170817 and GW190425. CoRe simulations are performed with 18 different equations of state, seven of which are finite temperature models, and three of which account for non-hadronic degrees of freedom. About half of the released data are computed with high-order hydrodynamics schemes for tens of orbits to merger; the other half is computed with advanced microphysics. We showcase a standard waveform error analysis and discuss the accuracy of the database in terms of faithfulness. We present ready-to-use fitting formulas for equation of state-insensitive relations at merger (e.g. merger frequency), luminosity peak, and post-merger spectrum.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Searching for Gravitational Waves from Cosmological Phase Transitions with the NANOGrav 12.5-Year Dataset

We search for a first-order phase transition gravitational wave signal in 45 pulsars from the NANOGrav 12.5-year dataset. We find that the data can be modeled in terms of a strong first order phase transition taking place at temperatures below the electroweak scale. However, we do not observe any strong preference for a phase-transition interpretation of the signal over the standard astrophysical interpretation in terms of supermassive black hole mergers; but we expect to gain additional discriminating power with future datasets, improving the signal to noise ratio and extending the sensitivity window to lower frequencies. An interesting open question is how well gravitational wave observatories could separate such signals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Characterizing the Oscillatory Properties of Bulk Electric Systems

This paper presents a process for characterizing the oscillatory dynamics of a large bulk power system. As a demonstration, the process is applied to the Western Interconnection of North America. Several complementary analysis approaches, both new and existing, are employed to provide a comprehensive understanding of the oscillatory properties of the system. Established modal analysis techniques based on ringdown and mode-meter algorithms are utilized. In addition, we derive and apply methods based on spectral correlation analysis to identify modal frequencies, distinguish between modes that are closely spaced in frequency, and determine locations at which the modes are observable. Critical interarea modes are identified and characterized using actual-system synchrophasor measurements taken over several years of operation in concert with industry-standard simulation models. This includes 145 hours of PMU data and two planning base cases.

42 ENGINEERING↗