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DOE OSTI2024

Question-answering system extracts information on injection drug use from clinical notes

Background. Injection drug use (IDU) can increase mortality and morbidity. Therefore, identifying IDU early and initiating harm reduction interventions can benefit individuals at risk. However, extracting IDU behaviors from patients’ electronic health records (EHR) is difficult because there is no other structured data available, such as International Classification of Disease (ICD) codes, and IDU is most often documented in unstructured free-text clinical notes. Although natural language processing can efficiently extract this information from unstructured data, there are no validated tools. Methods. Here, to address this gap in clinical information, we design a question-answering (QA) framework to extract information on IDU from clinical notes for use in clinical operations. Our framework involves two main steps: (1) generating a gold-standard QA dataset and (2) developing and testing the QA model. We use 2323 clinical notes of 1145 patients curated from the US Department of Veterans Affairs (VA) Corporate Data Warehouse to construct the gold-standard dataset for developing and evaluating the QA model. We also demonstrate the QA model’s ability to extract IDU-related information from temporally out-of-distribution data. Results. Here, we show that for a strict match between gold-standard and predicted answers, the QA model achieves a 51.65% F1 score. For a relaxed match between the gold-standard and predicted answers, the QA model obtains a 78.03% F1 score, along with 85.38% Precision and 79.02% Recall scores. Moreover, the QA model demonstrates consistent performance when subjected to temporally out-of-distribution data. Conclusions. Our study introduces a QA framework designed to extract IDU information from clinical notes, aiming to enhance the accurate and efficient detection of people who inject drugs, extract relevant information, and ultimately facilitate informed patient care.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Effects of nanoconfinement and surface charge on iron adsorption on mesoporous silica

Here, we present a combined molecular dynamics (MD) simulation and X-ray absorption fine structure (XAFS) spectroscopic investigation of aqueous iron adsorption on nanoconfined amorphous silica surfaces. The simulation models examine the effects of pore size, pH (surface charge), iron valency, and counter-ion (chloride or hydroxide). The simulation methods were validated by comparing the coordination environment of adsorbed iron with coordination numbers and bond lengths derived from XAFS. In the MD models, nanoconfinement effects on local iron coordination were investigated by comparing results for unconfined silica surfaces and in confined domains within 2 nm, 4 nm, and 8 nm pores. Experimentally, coordination environments of iron adsorbed onto mesoporous silica with 4 nm and 8 nm pores at pH 7.5 were investigated. The effect of pH in the MD models was included by simulating Fe(II) adsorption onto negatively charged SiO 2 surfaces and Fe(III) adsorption on neutral surfaces. The simulation results show that iron adsorption depends significantly on silica surface charge, as expected based on electrostatic interactions. Adsorption on a negatively charged surface is an order of magnitude greater than on the neutral surface, and simulated surface coverages are consistent with experimental results. Pore size effects from the MD simulations were most notable in the adsorption of Fe(II) at deprotonated surface sites (SiO - ), but adsorption trends varied with concentration and aqueous Fe speciation. The coordination environment of adsorbed iron varied significantly with the type of anion. Considerable ion pairing with hydroxide anions led to the formation of oligomeric surface complexes and aqueous species, resulting in larger iron hydroxide clusters at higher surface loadings.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

A Mixed integer linear programming‐based distributed energy management for networked microgrids considering network operational objectives and constraints

Abstract Mixed integer linear programming (MILP)–based distributed energy management for networked microgrids embedded modern distribution systems is proposed. Considering the diverse ownership of microgrids, distributed energy resources (DERs) that interface directly with utilities and responsive loads, an alternating direction method of multipliers–based distributed framework was formulated for the scheduling of networked microgrids embedded modern distribution systems by adjusting nodal price signals iteratively. In addition, to make the formulated optimization problems resolvable through more accessible and popular MILP solvers, different linearisation techniques were employed to transform the nonlinear terms into linear or mixed integer linear formats. The proposed MILP‐based distributed method preserves all participants' autonomy (e.g., microgrids, DERs that interface directly with utilities and responsive loads), while incentivising them to actively participate in the distribution system operation with price signals. The proposed method is validated with results of numerical simulation using a modern distribution system consisting of multiple networked microgrids, DERs that interface directly with utilities, as well as responsive loads.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Quantification of storage required for preserving frequency security in wind‐integrated systems

Abstract The penetration of wind power generation into the power grid has been accelerated in recent times due to the aggressive emission targets set by governments and other regulatory authorities. Although wind power has the advantage of being environment‐friendly, wind as a resource is intermittent in nature. In addition, wind power contributes little inertia to the system as most wind turbines are connected to the grid via power electronic converters. These negative aspects of wind power pose serious challenges to the frequency security of power systems as penetration increases. In this work, an approach is proposed where an energy storage system (ESS) is used to mitigate frequency security issues of wind‐integrated systems. ESSs are well equipped to supply virtual inertia to the grid due to their fast‐acting nature, thus replenishing some of the energy storage capability of displaced inertial generation. In this work, a probabilistic approach is proposed to estimate the amount of inertia required by a system to ensure frequency security. Reduction in total system inertia due to the displacement of conventional synchronous generation by wind power generation is considered in this approach, while also taking into account the loss of inertia due to forced outages of conventional units. Monte Carlo simulation is employed for implementing the probabilistic estimation of system inertia. An ESS is then sized appropriately, using the system swing equation, to compensate for the lost inertia. The uncertainty associated with wind energy is modeled into the framework using an autoregressive moving average technique. Effects of increasing the system peak load and changing the wind profile on the expected system inertia are studied to illustrate various factors that might affect system frequency security. The proposed method is validated using the IEEE 39‐bus test system.

17 WIND ENERGY↗

DOE OSTI2020

Density determination of the thermonuclear fuel region in inertial confinement fusion implosions

Understanding of the thermonuclear burn in an inertial confinement fusion implosion requires knowledge of the local deuterium–tritium (DT) fuel density. Neutron imaging of the core now provides this previously unavailable information. Two types of neutron images are required. The first is an image of the primary 14-MeV neutrons produced by the D +T fusion reaction. The second is an image of the 14-MeV neutrons that leave the implosion hot spot and are downscattered to lower energy by elastic and inelastic collisions in the fuel. These neutrons are measured by gating the detector to record the 6–12 MeV neutrons. Using the reconstructed primary image as a nonuniform source, a set of linear equations is derived that describes the contribution of each voxel of the DT fuel region to a pixel in the downscattered image. Using the measured intensity of the 14-MeV neutrons and downscattered images, the set of equations is solved for the density distribution in the fuel region. The method is validated against test problems and simulations of high-yield implosions. The calculated DT density distribution from one experiment is presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Statistically elucidated responses from low-signal contrast mechanisms in ultrafast electron microscopy

The emergence of ultrafast electron microscopy (UEM) has enabled the discovery of strongly correlated dynamic mechanisms, including electron–phonon coupling, structural phase transitions, thermal transport, and electromagnetic deflection. Most UEM systems operate stroboscopically, meaning that the technique is susceptible to artifacts, mistakes, and misinterpretation of the data due to extensive experimental effort. In contrast to the ultrafast designation, data acquisition is extraordinarily slow because the electron beam has significantly reduced signal compared to traditional transmission electron microscopy due to pulsing the electron beam. Consequently, the sample may drift, tilt, or undergo irreversible structural changes that are independent of the time-resolved dynamics throughout the experimental time frame. Furthermore, these datasets require significant user interpretation that can be problematic when proper controls are not implemented thoroughly. Here, we demonstrate a new algorithm designed to separate ultrafast structural dynamics from long-term artifacts using a LiNbO 3 sample experiencing electrically driven surface acoustic wave propagation. Additionally, we provide examples of the impact of user bias when analyzing the data and provide a methodology, which enables the extraction of time-resolved responses when the image signal is extraordinarily low. Overall, the goal of this publication is to provide methods that validate the experimental results and reduce researcher biases during UEM data interpretation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Quantitative x ray phase contrast imaging of oblique shock wave–interface interactions

Oblique shock wave–interface interactions of gases and liquids have been extensively studied in shock tubes using optical methods to measure equation-of-state (EOS) parameters. However, this is difficult with solids due to their opaqueness to visible light. X ray phase contrast imaging (XPCI) has the penetrative strength to probe solids while still being sensitive to mass density and enhancing the visibility of material boundaries. We investigate the accuracy and repeatability of measuring the mean value of the average mass density (areal density divided by thickness) over region S (B S ) and flow deflection angle (θ) from XPCI images of a sample. To that end, a Hough transform-based method for measuring θ is developed. To measure B S , the XPCI image intensity probability density function (PDF) is modeled accounting for the spatial distribution of x ray energy, scintillator response, and pulse-to-pulse variation in the x ray intensity. In addition, a Monte Carlo-based algorithm for computing the B S PDF is developed. Both methods are validated on an impact-generated oblique shock wave interacting at a solid polymer-to-polymer interface. Furthermore this is accomplished through a comparison to hydrodynamic simulations using well-established EOS. Under the modeling framework for the XPCI image intensity, B S is computed with an accuracy of < 0.1% and precision of 3%–5%, while θ has an uncertainty of 0.2°, respectively. This shows that the XPCI-based model that is developed here could be an invaluable tool for high-fidelity testing of hydrodynamic models in shock polar configurations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

A Bayesian approach to time-domain photonic Doppler velocimetry analysis

Photonic Doppler velocimetry (PDV) is an established technique for measuring the velocities of fast-moving surfaces in high-energy-density experiments. In the standard approach to PDV analysis, the short-time Fourier transform (STFT) is used to generate a spectrogram from which the velocity history of the target is inferred. The user chooses the form, duration, and separation of the window function. Here, in this study, we present a Bayesian approach to infer the velocity directly from the PDV oscilloscope trace, without using the spectrogram for analysis. This is clearly a difficult inference problem due to the highly periodic nature of the data, but we find that with carefully chosen prior distributions for the model parameters, we can accurately recover the injected velocity from synthetic data. We validate this method using PDV data collected at the STAR two-stage light gas gun at Sandia National Laboratories, recovering shock-front velocities in quartz that are consistent with those inferred using the STFT-based approach and are interpolated across regions of low signal-to-noise data. Although this method does not rely on the same user choices as the STFT, we caution that it can be prone to misspecification if the chosen model is not sufficient to capture the velocity behavior. Analysis using posterior predictive checks can be used to establish whether a better model is required, although more complex models come with additional computational cost, often taking more than several hours to converge when sampling the Bayesian posterior. We, therefore, recommend it be viewed as a complementary method to that of the STFT-based approach.

Allison, James R. [First Light Fusion Ltd., Yarnto↗

DOE OSTI2025

String instability mitigation of adaptive cruise control without modifying control laws: trajectory shaper and parameter estimation

Vehicle automation technologies equip vehicles with adaptive cruise control (ACC) systems, which relieve driving fatigue. However, recent studies have shown that the current ACC systems are string-unstable (i.e., exacerbate traffic congestion). To achieve string stability, most existing studies directly modify the control algorithms of ACC systems. Alternatively, this study proposes a trajectory shaper (TS)-based method, which only modifies the trajectory information of the predecessor vehicle, so that the ego vehicle driven by a string-unstable ACC system leverages the modified trajectory information to achieve string stability. To devise the TS-based method, an offline-online parameter estimation method integrating batch optimization and an extended Kalman filter is applied to estimate the parameters of an ACC system. The proposed TS-based method is cost-effective during implementation, as it avoids modifying existing ACC control algorithms (which entails a complex analysis of control systems and parameter tuning). In conclusion, the effectiveness of the proposed TS-based method is validated through extensive numerical experiments.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2022

Understanding the electromagnetic topology during the ohmic breakdown in tokamaks considering self-generated electric fields

We report that the physical mechanisms of the ohmic breakdown in a tokamak have been understood based on the classical Townsend avalanche theory. However, a new systematic theory (Yoo et al 2018 Nat. Commun.9 3523) recently demonstrated that electron avalanches during the ohmic breakdown are completely different from the Townsend avalanche due to strong self-generated electric fields. In this study, we elucidate the multi-dimensional effects of the self-generated electric field on plasma dynamics during the ohmic breakdown. We also propose a novel electromagnetic topology analysis method that can easily predict the overall plasma behavior and where the main plasma is generated. The topology analysis method is validated by a state-of-art particle simulation for various magnetic configurations. New physical insights into the complex electromagnetic topology would facilitate designing more reliable and optimized ohmic breakdown scenarios in future tokamaks, such as ITER and beyond.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Fast physics-based launcher optimization for electron cyclotron current drive

With the increased urgency to design fusion pilot plants, fast optimization of electron cyclotron current drive (ECCD) launchers is paramount. Traditionally, this is done by coarsely sampling the 4D parameter space of possible launch conditions consisting of (1) the launch location (constrained to lie along the reactor vessel), (2) the launch frequency, (3) the toroidal launch angle, and (4) the poloidal launch angle. For each initial condition, a ray-tracing simulation is performed to evaluate the ECCD efficiency. Unfortunately, this approach often requires a large number of simulations (sometimes millions in extreme cases) to build up a dataset that adequately covers the plasma volume, which must then be repeated every time the design point changes. Here we adopt a different approach. Rather than launching rays from the plasma periphery and hoping for the best, we instead directly reconstruct the optimal ray for driving current at a given flux surface using a reduced physics model coupled with a commercial ray-tracing code. Repeating this throughout the plasma volume requires only hundreds of simulations, constituting a significant speedup. The new method is validated on two separate example tokamak profiles, and is shown to reliably drive localized current at the specified flux surface with the same optimal efficiency as obtained from the traditional approach.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Optimizing the use of pressurized bladders for the assembly of HL-LHC MQXFB magnets

The use of pressurized bladders for stress control of superconducting magnets was firstly proposed at Lawrence Berkeley National Laboratory in the early 2000s. Since then, the so-called ‘bladders and keys’ procedure has become one of the reference techniques for the assembly of high-field accelerator magnets and demonstrators. Exploiting the advantages of this method is today of critical importance for Nb$_{3}$Sn-based accelerator magnets, whose production requires the preservation of tight stress targets in the superconducting coils to limit the effects of the strain sensitivity and brittleness of the conductor. The present manuscript reports on the results of an experimental campaign focused on the optimization of the ‘bladders and keys’ assembly process in the MQXFB quadrupoles. These 7.2 m long magnets shall be among the first Nb$_{3}$Sn cryomagnets to be installed in a particle accelerator as a part of the High Luminosity upgrade of the LHC. One of the main practical implications of the bladders technique, especially important when applied to long magnets like MQXFB, is that to insert the loading keys, the opening of a certain clearance in the support structure is required. The procedure used so far for MQXF magnets involved an overstress in the coils during bladder inflation. The work presented here shows that such an overshoot can be eliminated thanks to additional bladders properly positioned in the structure. This optimized method was validated in a short model magnet and in a full-length mechanical model, becoming the new baseline for the series production at CERN. Furthermore, the results are supported by numerical predictions using finite element models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Weighted FFT estimators for 1D and 3D correlations of the Lyman- α forest

Correlations in the Lyman-α (Lyα) forest, both as a function of line of sight separation (1D) and 3D separation, provide a unique window to the distribution of matter at redshifts not accessible by current galaxy surveys. While optimal quadratic estimators have been used to measure 1D correlations, they are computationally expensive and difficult to extend to 3D analyses. On the other hand, estimators based on the Fast Fourier Transform (FFT) are significantly faster, but are affected by missing data in the spectra (masked pixels) and so far have not used pixel weights to reduce the uncertainties in the measurement. In this publication we describe how to compute the window matrix that enables forward-modelling the impact of masked pixels and weights on the FFT-based estimators. Here, we use Gaussian and hydrodynamical simulations with artificially masked pixels to validate the method on the measurement of 1D correlations. Finally, we show that the formalism can be extended to model the impact on 3D correlations, in particular on the cross-spectrum, the correlation of 1D Fourier modes as a function of transverse separation. This work will enable more precise clustering measurements with the Lyα forest dataset recently collected by the Dark Energy Spectroscopic Instrument (DESI).

Lokken, Martine [Univ. Autonoma de Barcelona (Spai↗

DOE OSTI2025

Summary of the 5th IAEA technical meeting on fusion data processing, validation and analysis (FDPVA)

The purpose of the 5th International Atomic Energy Agency technical meeting on fusion data processing, validation and analysis (FDPVA) (Ghent University, Ghent, Belgium, 12–15 June 2023) was to provide a platform during which a set of topics relevant to FDPVA were discussed with the view of meeting the needs of next step fusion devices such as ITER. The validation and analysis of experimental data obtained from diagnostics used to characterize fusion plasmas are crucial for a knowledge-based understanding of the physical processes governing the dynamics of these plasmas. This paper presents the recent progress and achievements in the domain of plasma diagnostics data analysis and synthetic diagnostics reported at the meeting, including concept description of new devices; fusion databases; integrated data analysis; inverse problems; uncertainty propagation, verification and validation; probabilistic methods and machine learning. The relevant results underline trends observed in the current major fusion confinement devices.

fusion databases↗

DOE OSTI2022

Identification of hadronic tau lepton decays using a deep neural network

A new algorithm is presented to discriminate reconstructed hadronic decays of tau leptons ($\tau_\mathrm{h}$) that originate from genuine tau leptons in the CMS detector against $\tau_\mathrm{h}$ candidates that originate from quark or gluon jets, electrons, or muons. The algorithm inputs information from all reconstructed particles in the vicinity of a $\tau_\mathrm{h}$ candidate and employs a deep neural network with convolutional layers to efficiently process the inputs. This algorithm leads to a significantly improved performance compared with the previously used one. For example, the efficiency for a genuine $\tau_\mathrm{h}$ to pass the discriminator against jets increases by 10-30% for a given efficiency for quark and gluon jets. Furthermore, a more efficient $\tau_\mathrm{h}$ reconstruction is introduced that incorporates additional hadronic decay modes. The superior performance of the new algorithm to discriminate against jets, electrons, and muons and the improved $\tau_\mathrm{h}$ reconstruction method are validated with LHC proton-proton collision data at $\sqrt{s} =$ 13 TeV.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Clonality, local population structure, and gametophyte sex ratios in cryptic species of the Sphagnum magellanicum complex

Sphagnum (peatmoss) comprises a moss (Bryophyta) clade with approximately 300-500 species. The genus has unparalleled ecological importance because Sphagnum-dominated peatlands store almost a third of the terrestrial carbon pool and peatmosses engineer the formation and microtopography of peatlands. Genomic resources for Sphagnum are being actively expanded, but many aspects of their biology are still poorly known. Among these are the degree to which Sphagnum species reproduce asexually, and the relative frequencies of male and female gametophytes in these haploid-dominant plants. Here, we assess clonality and gametophyte sex ratios and test hypotheses about the local-scale distribution of clones and sexes in four North American species of the S. magellanicum complex. These four species are difficult to distinguish morphologically and are very closely related. We also assess microbial communities associated with Sphagnum host plant clones and sexes at two sites. 405 samples of the four species, representing 57 populations, were subjected to RADseq. Analyses of population structure and clonality based on the molecular data utilized both phylogenetic and phenetic approaches. Multi-locus genotypes (genets) were identified using the RADseq data. Sexes of sampled ramets were determined using a molecular approach that utilized coverage of loci on the sex chromosomes after the method was validated using a sample of plants that expressed sex phenotypically. Sex ratios were estimated for each species, and populations within species. Differences in fitness between genets was estimated as the numbers of ramets each genet comprised. Degree of clonality (numbers of genets/numbers of ramets [samples]) within species, among sites, and between gametophyte sexes were estimated. Sex ratios were estimated for each species, and populations within species. Sphagnum-associated microbial communities were assessed at two sites in relation to Sphagnum clonality and sex. All four species appear to engage in a mixture of sexual and asexual (clonal) reproduction. A single ramet represents most genets but 2-8 ramets were detected for some genets. Only one genet is represented by ramets in multiple populations; all other genets are restricted to a single population. Within populations ramets of individual genets are spatially clustered, suggesting limited dispersal even within peatlands. Sex ratios are male-biased in S. diabolicum but female-biased in the other three species, although significantly so only in S. divinum. Neither species nor males/females differ in levels of clonal propagation. At St. Regis Lake (NY) and Franklin Bog (VT), microbial community composition is strongly differentiated between the sites, but differences between species, genets, and sexes were not detected. Within S. divinum, however, female gametophytes harbored 2-3 times the number oi of microbial taxa as males. These four Sphagnum species all exhibit a similar reproductive patterns that result from a mixture of sexual and asexual reproduction. The spatial patterns of clonally replicated ramets of genets suggest that these species fall between the so-called phalanx patterns where genets abut one another but do not extensively mix, because of limited ramet fragmentation, and the guerrilla patterns where extensive genet fragmentation and dispersal results in greater mixing of different genets. Although sex ratios in bryophytes are most often female-biased, both male and female biases occur in this complex of closely related species. The association of far greater microbial diversity for female gametophytes in S. divinum, which has a female-biased sex ratio, suggests additional research to determine if levels of microbial diversity are consistently correlated with differing patterns of sex ratio biases.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

SPIDERS: an overview of the largest catalogue of spectroscopically confirmed x-ray galaxy clusters

SPIDERS is the spectroscopic follow-up effort of the Sloan Digital Sky Survey IV (SDSS-IV) project for the identification of X-ray selected galaxy clusters. We present our catalogue of 2740 visually inspected galaxy clusters as part of the SDSS Data Release 16 (DR16). Here we detail the target selection, our methods for validation of the candidate clusters, performance of the survey, the construction of the final sample, and a full description of what is found in the catalogue. Of the sample, the median number of members per cluster is approximately 10, with 818 having 15 or greater. We find that we are capable of validating over 99 per cent of clusters when five redshifts are obtained below z < 0.3 and when nine redshifts are obtained above z > 0.3. We discuss the improvements in this catalogue’s identification of cluster using 33 340 redshifts, with Δz phot /Δz spec ~100, over other photometric and spectroscopic surveys, as well as presenting an update to previous (σ–L X ) and (σ– λ ) relations. Finally, we present our cosmological constraints derived using the velocity dispersion function.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Angular clustering properties of the DESI QSO target selection using DR9 Legacy Imaging Surveys

ABSTRACT The quasar target selection for the upcoming survey of the Dark Energy Spectroscopic Instrument (DESI) will be fixed for the next 5 yr. The aim of this work is to validate the quasar selection by studying the impact of imaging systematics as well as stellar and galactic contaminants, and to develop a procedure to mitigate them. Density fluctuations of quasar targets are found to be related to photometric properties such as seeing and depth of the Data Release 9 of the DESI Legacy Imaging Surveys. To model this complex relation, we explore machine learning algorithms (random forest and multilayer perceptron) as an alternative to the standard linear regression. Splitting the footprint of the Legacy Imaging Surveys into three regions according to photometric properties, we perform an independent analysis in each region, validating our method using extended Baryon Oscillation Spectroscopic Survey (eBOSS) EZ-mocks. The mitigation procedure is tested by comparing the angular correlation of the corrected target selection on each photometric region to the angular correlation function obtained using quasars from the Sloan Digital Sky Survey (SDSS) Data Release 16. With our procedure, we recover a similar level of correlation between DESI quasar targets and SDSS quasars in two-thirds of the total footprint and we show that the excess of correlation in the remaining area is due to a stellar contamination that should be removed with DESI spectroscopic data. We derive the Limber parameters in our three imaging regions and compare them to previous measurements from SDSS and the 2dF QSO Redshift Survey.

79 ASTRONOMY AND ASTROPHYSICS↗