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DOE OSTI2024

Monsoonal MCS Initiation, Rainfall, and Diurnal Gravity Waves over the Bay of Bengal: Observation and a Linear Model

Abstract Previous observational studies have indicated that mesoscale convective systems (MCSs) contribute the majority of precipitation over the Bay of Bengal (BoB) during the summer monsoon season, yet their initiation and propagation remain incompletely understood. To fill this knowledge gap, we conducted a comprehensive study using a combination of 20-yr satellite observations, MCS tracking, reanalysis data, and a theoretical linear model. Satellite observations reveal clear diurnal propagation signals of MCS initiation frequency and rainfall from the west coast of the BoB toward the central BoB, with the MCS rainfall propagating slightly slower than the MCS initiation frequency. Global reanalysis data indicate a strong association between the offshore-propagating MCS initiation frequency/rainfall and diurnal low-level wind perturbations, implying the potential role of gravity waves. To verify the hypothesis, we developed a 2D linear model that can be driven by realistic meteorological fields from reanalysis. The linear model realistically reproduces the characteristics of offshore-propagating diurnal wind perturbations. The wind perturbations, as well as the offshore propagation signals of MCS initiation frequency and rainfall, are associated with diurnal gravity waves emitted from the coastal regions, which in turn are caused by the diurnal land–sea thermal contrast. The ambient wind speed and vertical wind shear play crucial roles in modulating the timing, propagation, and amplitude of diurnal gravity waves. Using the linear model and satellite observations, we further show that the stronger monsoonal flows lead to faster offshore propagation of diurnal gravity waves, which subsequently control the offshore propagation signals of MCS initiation and rainfall. Significance Statement Rainfall over the Bay of Bengal (BoB) is primarily contributed by large and organized rainfall systems in the summer monsoon season. During this season, these systems are commonly observed over the east coast of India around midnight, the western BoB in the morning, and the central BoB in the afternoon. This eastward rainfall propagation is confirmed by observations, reanalysis data, and a theoretical model to have a strong association with atmospheric diurnal gravity waves. These waves are caused by land–sea thermal contrast and can trigger rainfall systems over the offshore regions. We also found that the diurnal gravity waves, as well as their triggered rainfall systems, can be greatly modulated by the large-scale monsoonal flows. All the above findings improve our understanding of diurnal rainfall cycle over the BoB and may contribute to the future improvement of rainfall forecast over the region.

Meteorology & Atmospheric Sciences↗

DOE OSTI2023

Dynamic Motions of Topological Defects in Nematic Liquid Crystals under Spatial Confinement

Abstract Topological defects (TDs) have become a sensational topic due to their significant influence on the unusual optical and physiochemical characteristics of the material. To facilitate their application across a wide range of disciplines it is desirable to analyze and gain fundamental understanding of TDs in both equilibrium and nonequilibrium systems. Liquid crystals (LCs) are considered an ideal system for study given the direct visualization of TDs and a straightforward analyzation process. In addition to the equilibrium morphology of LC TDs, it is also of great interest to track and control the formation and annihilation of defects during thermodynamic processes. However, controlling the dynamic behavior of formed defects remains a challenge. Here, nematic LCs confined in a cell exhibiting surfaces with periodic anchoring conditions containing surface topography are relied on. The effects of patterned surface characteristics such as width, periodicity, and degree of curvature on defects dynamic motion, stabilization, and annihilation are explored. The computational experiments recapitulate the TDs transition path and provide free energy‐based predictions of critical distances for defect annihilation. Taken together, this simple approach offers a promising opportunity to control the dynamics of TDs in LCs through chemical patterned surfaces with topography.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Measurement of the central exclusive production of charged particle pairs in proton-proton collisions at $\sqrt{s}$ = 200 GeV with the STAR detector at RHIC

We report on the measurement of the Central Exclusive Production of charged particle pairs h+h- (h = π, K, p) with the STAR detector at RHIC in proton-proton collisions at $\sqrt{s}$ = 200 GeV. The charged particle pairs produced in the reaction pp → p' + h + h - + p' are reconstructed from the tracks in the central detector and identified using the specific energy loss and the time of flight method, while the forward-scattered protons are measured in the Roman Pot system. Exclusivity of the event is guaranteed by requiring the transverse momentum balance of all four final-state particles. Differential cross sections are measured as functions of observables related to the central hadronic final state and to the forward-scattered protons. They are measured in a fiducial region corresponding to the acceptance of the STAR detector and determined by the central particles’ transverse momenta and pseudorapidities as well as by the forward-scattered protons’ momenta. This fiducial region roughly corresponds to the square of the four-momentum transfers at the proton vertices in the range 0.04 GeV 2 < -t 1 , -t 2 < 0.2 GeV 2 , invariant masses of the charged particle pairs up to a few GeV and pseudorapidities of the centrally-produced hadrons in the range |η| < 0.7. The measured cross sections are compared to phenomenological predictions based on the Double Pomeron Exchange (DPE) model. Structures observed in the mass spectra of π + π - and K + K - pairs are consistent with the DPE model, while angular distributions of pions suggest a dominant spin-0 contribution to π + π - production. For π + π - production, the fiducial cross section is extrapolated to the Lorentz-invariant region, which allows decomposition of the invariant mass spectrum into continuum and resonant contributions. The extrapolated cross section is well described by the continuum production and at least three resonances, the f 0 (980), f 2 (1270) and f 0 (1500), with a possible small contribution from the f 0 (1370). Fits to the extrapolated differential cross section as a function of t 1 and t 2 enable extraction of the exponential slope parameters in several bins of the invariant mass of π + π - pairs. These parameters are sensitive to the size of the interaction region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Electrically regenerated ion-exchange technology: Leveraging faradaic reactions and assessing the effect of co-ion sorption

Capacitive deionization (CDI) technologies have the potential to become cost-competitive alternatives to reverse osmosis for the treatment of brackish waters. In this study, we describe our findings on the effect of co-ion sorption and faradaic side reactions on our ion exchange resin functionalized desalination electrodes which passively capture salt and reject it upon charging. This system, which we previously reported on and refer to as electrically regenerated ion exchange (ERI), avoids the use of expensive ion exchange membranes in an effort to save costs. Surprisingly, we find that, compared to a reference CDI system, ERI electrodes capture salt most effectively at low applied voltages (0.5 mg/cm 3 at 0.8 V). Both CDI and ERI systems also seem to suffer from co-ion sorption effects which negatively impact salt adsorption. However, Faradaic side reactions at higher voltages (1 V and 1.2 V) which we track via pH measurements, serve as a detriment to CDI but seem to facilitate the functionality of ERI.

42 ENGINEERING↗

DOE OSTI2026

Understanding Biases in Simulated Cloud Radiative Effects in E3SMv3

This study systematically investigates biases in cloud radiative effects (CREs) within the recently released Energy Exascale Earth System Model version 3 (E3SMv3). Compared to its previous version (E3SMv2), E3SMv3 shows excessively strong shortwave CRE over tropical and subtropical oceans, the Southern Ocean, and the Northern Hemisphere storm tracks, which is primarily caused by an overestimation of optically intermediate low clouds. The model also displays excessive longwave CRE over the Maritime Continent and other tropical deep convection regions, resulting from an overestimation of optically thick high clouds. Implementing the Predicted Particle Properties (P3) scheme for stratiform clouds played the most significant role in these cloud changes. In addition, using a double-moment scheme for convective clouds contributed to the increase in intermediate low clouds and optically thick clouds in tropical deep convection regions. Error metrics for total cloud amount (E TCA ), cloud properties (E ctp-τ ), and cloud properties weighted by their SW and LW radiative impacts (E SW and E LW ) indicate that E3SMv3's ability to reproduce observed cloud radiative effect of low, middle, and high clouds has not been improved compared to E3SMv2. Nevertheless, the performance of E3SMv3 remains well within the spread of CMIP6 models, with E SW and E LW values smaller than those in most CMIP6 models. This study underscores the importance of integrating diverse satellite observations for robust cloud evaluation and using cloud-radiation relationships as consistency check for model errors. It suggests that further model developments focus on improving cloud microphysics and their interactions with radiation.

Environmental sciences↗

DOE OSTI2024

Parallel-plate avalanche counters for heavy-ion beam tracking: History and mysteries

Despite being an old detector concept, position-sensitive parallel-plate avalanche counters (PPACs) remain widely used today for heavy-ion position and timing measurements. In modern rare isotope beam facilities and large-acceptance fragment separators, PPACs are used to characterize beam properties (diagnostics), facilitate beam delivery (tuning), and provide event-by-event beam tracking for particle identification (PID). Most popular particle localization methods in PPAC detectors are based on strip electrodes electrically connected to resistive-chain circuits or delay lines. More exotic systems include optical readouts based on recording electroluminescence light with high-granularity photodetector arrays or high-resolution resistive anode electrodes. PPACs with conventional resistive-chain or delay-line readouts achieve typical position and time resolutions of below 1 mm ( σ ) and around 150 ps ( σ ), respectively. In addition, delay-line systems are capable of counting rates above several hundred kHz for beam areas of a few millimeters square, and around 1 MHz for larger beam sizes. Resistive-chain readouts have limited rates of a few tens of kHz. A review of the operation principles and performance of PPAC detectors is presented in this paper. We will discuss decades-long experience building and operating PPACs developed at the National Superconducting Cyclotron Laboratory, and then refined at the Facility for Rare Isotope Beams (FRIB), mostly focusing on the delay-line readout technique (DLPPAC). We will also discuss problems that arise due to electric discharges at high rates and briefly describe ongoing developments at FRIB. Published by the American Physical Society 2024

Physics↗

DOE OSTI2021

Correlations of azimuthal anisotropy Fourier harmonics with subevent cumulants in p Pb collisions at s N N = 8.16 TeV

Event-by-event long-range correlations of azimuthal anisotropy Fourier coefficients ($v_n$) in 8.16 TeV p Pb data, collected by the CMS experiment at the CERN Large Hadron Collider, are extracted using a subevent four-particle cumulant technique applied to very low multiplicity events. Each combination of four charged particles is selected from either two, three, or four distinct subevent regions of a pseudorapidity range from -2.4 to 2.4 of the CMS tracker, and with transverse momentum between 0.3 and 3.0 GeV. Using the subevent cumulant technique, correlations between $v_n$ of different orders are measured as functions of particle multiplicity and compared to the standard cumulant method without subevents over a wide event multiplicity range. At high multiplicities, the $v_2$ and $v_3$ coefficients exhibit an anticorrelation; this behavior is observed consistently using various methods. The $v_2$ and $v_4$ correlation strength is found to depend on the number of subevents used in the calculation. As the event multiplicity decreases, the results from different subevent methods diverge because of different contributions of noncollective or few-particle correlations. Correlations extracted with the four-subevent method exhibit a tendency to diminish monotonically toward the lowest multiplicity region (about 20 charged tracks) investigated. These findings extend previous studies to a significantly lower event multiplicity range and establish the evidence for the onset of long-range collective multiparticle correlations in small system collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

A Priority-Based Control Strategy and Performance Bound for Aggregated HVAC-Based Load Shaping

Air conditioning systems have been recognized as a potential, cost-effective resource for shaping electrical load in a power system. This work presents a new priority-based control strategy that explicitly addresses three requirements for using a collection of air conditioning units in this capacity. These are 1) tracking a regulation signal, 2) maintaining the building temperature near its set point, and 3) satisfying a cycling constraint of the air conditioners. After introducing the control strategy, we derive a bound for the regulation signal within which tracking is guaranteed while also satisfying the temperature requirement. These results are illustrated with simulations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Host Onboarding Tool (HObT) v1.0.0

The Host OnBoarding Tool (Hobt) is a publicly accessible, web-based software designed to organize and share information about microbial hosts under development at the Agile BioFoundry (ABF). It streamlines the assessment, tracking, and sharing of information related to microbial host development and provides a centralized platform where users can rapidly evaluate hosts' readiness for various bio processes. HObT leverages the Tier System, a standardized host development framework that organizes and assesses microbial hosts based on their readiness for biomanufacturing. Each tier outlines key targets—including genetic tools, growth conditions, omics data, and predictive models—needed to transform new or emerging microbes into established production platforms. By applying clear criteria for advancement, the Tier System helps users quickly evaluate each organism's current development status, identify gaps in available knowledge or tools, and prioritize future strain improvement efforts. Through its user-friendly interface, HObT encourages contributions of new data and insights from researchers, fostering collaboration and accelerating host development. By providing structured guidance for microbial strain advancement, HObT and the Tier System support more systematic, rapid, and cost-effective development of non-traditional microbial hosts, ultimately enhancing the efficiency and impact of biomanufacturing research and applications.

Plahar, Hector [Lawrence Berkeley National Laborat↗

DOE OSTI2025

GridSTIX

SF-25-112 Grid-STIX is a comprehensive extension of the STIX (Structured Threat Information Expression) 2.1 ontology specifically designed for electrical grid cybersecurity applications. This ontology provides a standardized, machine-readable framework for modeling grid assets, operational technology devices, threats, vulnerabilities, supply chain risks, and security relationships in electrical power systems. ## Key Features - **Comprehensive Grid Coverage**: Physical assets, OT devices, grid components, sensors, and energy storage systems - **Zero Trust Architecture**: Policy decision points, enforcement points, trust brokers, and continuous monitoring - **AMI Infrastructure**: Advanced metering networks, head-end systems, mesh gateways, and MDM systems - **Advanced Security Modeling**: Attack patterns, vulnerabilities, mitigations, and supply chain risks - **Critical Grid Relationships**: Power flow, protection, control, and synchronization relationships - **Supply Chain Security**: Supplier modeling, country of origin tracking, and risk assessment - **Protocol Support**: DNP3, Modbus, IEC 61850, IEC 60870-5-104, OPC-UA, and IEEE standards - **Python Code Generation**: Automated STIX-compliant Python class generation from ontologies - **Interactive Visualization**: Enhanced HTML network graphs with grid-specific categorization - **STIX 2.1 Compliance**: Full compatibility with STIX threat intelligence ecosystem

Blakely, Benjamin [Argonne National Laboratory (AN↗

DOE OSTI2026

IPC-Fusion (Infrastructure Perception and Control (IPC): Multisensor Data Fusion Software) [SWR-25-153]

As part of the National Laboratory of the Rockies' (NLR’s) Infrastructure Perception and Control Laboratory, the IPC-Fusion toolkit provides a probabilistic, scalable, multi-sensor fusion framework that integrates (late-stage fusion) heterogeneous object detection data from traffic sensors to enable robust, real-time tracking of roadway occupants. The algorithmic design of the toolkit is motivated by the need for creating a digital twin of traffic at the edge in a scalable and affordable manner. The software operates by combining object-level measurements (such as position and velocity) from a suite of sensors (such as radar, lidar, camera) using Kalman filtering and probabilistic data association techniques to overcome individual sensor limitations and achieve superior tracking performance in complex traffic zones. The framework addresses key challenges including heterogeneous measurement uncertainties, asynchronous data streams, varying spatiotemporal data resolutions, robust data association, and adaptive object lifecycle management. Validated on real-world traffic intersection data including vehicles and pedestrians, IPC-Fusion demonstrates enhanced tracking reliability across scenarios involving occlusions, sensor failures, and varying traffic densities, supporting the broader IPC initiative's goal of transforming transportation infrastructure through advanced perception capabilities for intelligent transportation systems, traffic safety applications, and autonomous vehicle support.

Sandhu, Rimple [National Laboratory of the Rockies↗

DOE OSTI2022

Grey Zone Test Range Social Model

The Grey Zone Test Range (GZTR) social model operates as a piece of the overall GZTR modeling effort. It works in conjunction with supply models for resources, an electric grid model for power availability, and a traffic model for road congestion, as well as a general controller framework that allows external system effects. The social model functions as an aggregate model where the entire population of the city is divided into groups based on the Transportation Analysis Zones (TAZs), a common geospatial boundary present in all GZTR models. These groups will act as a singular community; each time step the state of the system around them will be assessed and then community will come up with a general plan of action that they will attempt to follow for the day. Additionally, they will track values for their general emotional state and memory about negative impacts in the near past.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Advanced Monitoring and Control in the ANL METL Facility Using an Engineering Digital Twin

The potential benefits of using an engineering digital twin to achieve greater autonomy for monitoring and control functions in advanced reactors was investigated for the Mechanisms Engineering Test Loop (METL) liquid sodium facility at Argonne National Laboratory. The METL sodium purification system served as a representative system as it requires significant human in-the-loop interaction to accomplish its design function. The objective was to demonstrate how real-time operation could be automated while preserving oversight of the operator for ensuring that the system design functions are met. A digital twin model of the purification system was developed for both the cold trap purification loop and plugging meter diagnostic loop using information from the METL piping and instrumentation diagram (P&ID). Automated monitoring and diagnosis of component degradation in the METL facility was demonstrated in tests using the PRO-AID health monitoring software with the digital twin model incorporated in the library of components. Component failures were introduced and were successfully diagnosed in real time. These tests serve to demonstrate an advanced monitoring capability able to differentiate sensor degradation from component degradation, to generate a rank ordering of probabilities of different failure mechanisms that serves to circumvent the false alarm problem with current anomaly detection methods, and how facility monitoring can be transformed from anomaly detection to identification of a specific fault. Automated control of the purification system was demonstrated through simulations that exercised a model predictive controller designed using the digital twin model. Results of these simulations compared favorably with experimental data showing very good reference tracking response with negligible overshoot. In conclusion, these pilot tests and simulations successfully demonstrated the use of a digital twin for improved automation of monitoring and control. It was shown how the digital twin enables switching between control modes from cold trap operation where impurities are removed to plugging meter operation where impurity concentrations are measured.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Development of an Optimal Variable-Pitch Controller for Floating Axial-Flow Marine Hydrokinetic Turbines: Preprint

This article discusses the development of an optimal variable-pitch controller for floating, axial-flow marine turbines. Recently, OpenFAST, an open-source wind turbine modeling tool, has been extended to model marine turbines. A controller is necessary to simulate marine turbines for different load cases using OpenFAST, which greatly impacts the performance of the energy system. Previous studies have designed controllers using a linearized model of the marine turbine, which can be timeconsuming and require the expertise of a control engineer. In this study, we use an automated approach that uses generic models of the marine turbine to identify the controller gains, which can expedite the process of designing a controller. Using an optimizer to identify the control system parameters can additionally improve the controller's performance. The optimal controller tuned using such an approach results in a 20% reduction in the towerbase damage equivalent loading and better tracking of the rated generator speed and power.

closed-loop control↗

DOE OSTI2020

Geophysical monitoring using active seismic techniques at the Citronelle Alabama CO 2 storage demonstration site

Between August 2012 and September 2014, about 114,000 metric tonnes of CO 2 was captured from the coal-fired Plant Barry Power Station at Bucks Alabama and injected into the Paluxy Formation above the oil pool in the southeast unit of the Citronelle Oilfield. Various monitoring methods were deployed at land surface and in project wells to measure system performance, comply with permit requirements and test new and innovative monitoring tools. The monitoring program relied heavily on active seismic methods for subsurface imaging of geologic structure and time-lapse seismic techniques to track the CO 2 migration in the injection interval. Both conventional geophone/hydrophone and fiber-optic based Distributed Acoustic Sensing (DAS) arrays were deployed and tested, allowing a side by side comparison of the equipment and techniques. Geophysical imaging of the subsurface was successful using DAS in the offset vertical seismic profile (OVSP) survey configuration. A high resolution OVSP image of the subsurface was obtained in 2014 with DAS, which exceeded project expectations in comparison to a lower resolution image obtained in 2012 using a conventional 80-level geophone array. A time-lapse image of the redistribution of CO 2 after injection ended in September 2014 was obtained with two DAS OVSP surveys from June 2014 and December 2015, thus successfully demonstrating its proof-of-concept. Unfortunately, a pre-injection baseline survey with DAS, which was in its initial stage of technology development in 2012, did not have sufficient quality for use, making it difficult to interpret the acquired DAS time-lapse difference. Additional research in this area has since demonstrated the utility of time-lapse DAS OVSP. DAS data were also acquired during a cross-well seismic survey conducted in 2014. Unfortunately, the DAS technique was not success in the cross-well survey configuration because the system noise level was too high in the crosswell frequency output range (100–1200 Hz) of the piezoelectric source (increasing by a factor of ten compared to VSP frequency band). Additionally, the cross-well geometry causes sub-horizontal (broadside) incidence on the vertical DAS fiber cable, which is known to be problematic. Current research is focused on improving the DAS cable response to broadside acoustic energy. Time-lapse seismic surveys using commercially available conventional arrays were also acquired. In contrast to the DAS acquired data, the cross-well seismic results obtained with the conventional array was highly successful and clearly showed the CO 2 remained in zone at the end of injection. Time-lapse differencing of the OSVP surveys acquired with the conventional arrays proved to be inconclusive. Finally, changes in wellbore conditions between surveys and unavoidable changes in equipment (the array used for the baseline survey was retired) affected data quality, making it difficult to interpret the OVSP results.

58 GEOSCIENCES↗

DOE OSTI2022

Electrical sensing, tracking, and actuation of droplets

Devices, techniques, and processes are disclosed that use electrical impedance to detect of the presence and contents of droplets including cells, nucleic acids, proteins, or solute concentrations in an array of retrievable, trackable, trapped droplets in a fluidic system. Electrodes may be positioned underneath individual droplet traps in a microchannel to assay droplet contents and/or actuating droplets for the release of the droplets from corresponding traps. The disclosed technology may be used for detection of the results of solvent extraction processes including time-dependent quantification of metal ion concentration in the aqueous and organic phases, for wastewater treatment, heavy metal detection, pharmaceutical industry, and/or biotechnology, or for environmental monitoring of wastewater for toxic metal, monitoring of biological cell viability and proliferation, monitoring of extraction processes used in heavy metal mining, monitoring of extraction processes used in nuclear fuel processing, monitoring kinetics of enzyme processes, and/or assessing pharmacodynamics and drug efficacy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Using AI to predict calibration constants for the central drift chamber in GlueX at Jefferson Lab

The AI for Experimental Controls project team at Jefferson Lab has developed an AI system to control and calibrate a large drift chamber system in near-real time. The AI system will monitor environmental and experimental variables to recommend voltage settings that maintain consistent dE/dx gain and optimal resolution throughout the experiment. At present, calibrations are performed after data have been recorded and require a considerable amount of time and attention from experts. The calibrations currently require multiple iterations and depend on accurate tracking information. Our approach uses environmental data, such as atmospheric pressure and gas temperature, and beam conditions, such as the flux of incident particles, as inputs to a Gaussian Process Regression (GPR) model. For the data taken during the GlueX 2020 run period, the GPR is able to predict the existing gain correction factors to within 3.5%. This talk will briefly describe the development, testing, and future plans for this system at Jefferson Lab.

Jeske, Torri↗

DOE OSTI2026

Revealing ultrafast proton-transfer-mediated autoionization as a source of low-energy electrons in hydrogen-bonded systems

Ionizing radiation can trigger ultrafast proton transfer, a central mechanism in many chemical and biological functions, that in turn can enable or suppress electron relaxation processes and consequently cause abrupt changes in the reaction pathway. This study combines theory and experiment to probe ultrafast relaxation and dissociation in water dimers following inner- and outer-valence photoionization. By tracking electron and nuclear motion simultaneously, we reveal competing fragmentation pathways that produce low-energy electrons, which are key agents in radiation-induced chemistry, including DNA damage. While low-energy electrons are known to arise via intermolecular Coulombic decay, here we identify a faster relaxation mechanism gated by proton transfer following inner-valence ionization, which we call proton-transfer-mediated autoionization. Occurring within 10 femtoseconds, this process alters fragmentation outcomes, yielding either D 3 O + + OD + or D 2 O + + D 2 O + , depending on the interplay of proton migration and hydrogen back-transfer. Our findings underscore the intricate coupling between electronic and nuclear dynamics in hydrogen-bonded systems and establish proton-transfer-mediated autoionization as a significant pathway for low-energy electron generation.

Atomic and molecular interactions with photons↗