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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 667 records · Page 37

Predicting departure from nucleate boiling with advanced data- and physics-driven approaches

The subcooled and low-quality saturated flow boiling critical heat flux (CHF) corresponding to the departure from nucleate boiling (DNB) is one of the major limiting factors in the design and operation of pressurized water reactors (PWRs). Due to lack of agreement on its physical mechanisms, development of an accurate DNB-type CHF model has been elusive. The various steady-state (SS) predictive tools that have been proposed can be grouped into two categories: (1) data-driven methods—namely best-fit empirical correlations and look-up tables that result in relatively good agreement with specific experimental datasets but often fail to extend beyond their ranges of validity, and (2) the physics-based mechanistic models that rely on reasonable yet limited understanding of the underlying physics and apply constitutive relations to close the conservation equations. On one hand, with recent advances in computational capabilities and optimization techniques, machine learning (ML)-based methods constitute an alternative and a more advanced, data-driven approach. With enough data, they can be particularly useful in engineering fields where the physical phenomena are complex and challenging to model. On the other hand, a state-of-the-art physics-driven approach would not only provide more accurate prediction of SS CHF, but it would also help better understand and model transient applications. The data-driven regression models use deep feed-forward neural networks (NNs) and random forests to cross-validate with 1,865 CHF test cases, covering a wide range of flow conditions and channel geometries. The best-estimate ML-based predictors compare favorably with the widely used look-up table for annulus and plate, and sensitivity analysis has confirmed their effectiveness. The key advantage of ML-based methods is their online extensibility of applicability domain. The proposed physics-driven approach combines key assumptions and parameters in the relatively well-accepted theories of liquid sublayer dryout and near-wall bubble crowding. A more realistic understanding of local mechanisms has been modeled. The new model has been optimized and validated against 1,439 tube data, and it shows considerably improved performance when compared to a recent mechanistic model, demonstrating unbiased close agreement with measurements over a wide range of operating conditions. Future work will extend the improved physics-driven model to non-tube geometry applications and will couple the model with ML via a hybrid approach. The mechanistic SS work will also serve to improve understanding and to model transient CHF scenarios.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Integration of LIBS with Machine Learning for Real-Time Monitoring of Feedstock in H 2 Gasification Applications

This project, funded by the U.S. Department of Energy (DOE) – Office of Fossil Energy under Award Number DE-FE0032177, aimed to assess the feasibility of an integrated Laser-Induced Breakdown Spectroscopy (LIBS) system with advanced machine learning (ML) models for real-time characterization and potential control of hydrogen gasifiers running on waste materials as feedstocks. This was a multidisciplinary effort that encompassed the acquisition and standardized analysis of individual and blended feedstocks—comprising biomass, coal waste, and plastic waste, followed by the development of a dynamic LIBS bench system for material sample analysis and development of predictive ML models. Comprehensive laboratory testing enabled the creation of a robust elemental dataset that served as the foundation for ML model training. Techniques such as Random Forest, Gradient Boosting, Support Vector Regression, and Neural Networks were employed to predict key feedstock properties, including higher heating value (HHV), moisture content, thermal conductivity, and ash composition with high accuracy. The results were validated against experimental data and demonstrated strong potential for real-time application in gasifier control systems. The project concluded with a study on the integration of the LIBS+ML approach for gasifier control and a techno-economic analysis of the implementation of the approach into hydrogen (H 2 ) gasification systems. Dissemination of results was carried out at a DOE meeting. This work establishes a scalable framework for automated, in-line feedstock quality assessment, offering significant implications for process optimization and emissions reduction in hydrogen production.

01 COAL, LIGNITE, AND PEAT↗

Heat Transfer Experiments of a 1st Stage Blade Cascade for Supercritical CO2 Oxy-Combustion Turbine Application

The results of internally cooled 1st stage blade (S1B) cascade testing in a supercritical CO2 environment is presented. The turbine blade design has been previously established for the end application of an oxy-combustion turbine operating in the Allam-Fetvedt cycle with turbine inlet conditions of 305 bar and 1150°C. The internally cooled blade features leading edge (LE) region impingement cooling, mid-section ribbed serpentine passages, and a pin-finned trailing edge (TE) region before cooling ejection holes. The geometry for the tested blade cascade has a cooled central blade with un-cooled blades on either side to match flowpath areas of the actual turbine. The flowpath reuses internal components previously employed for mid-section region ribbed serpentine passage experiments that established Nusselt number enhancement ratios over a range of Reynolds numbers from 100,000-400,000. New components include flow conditioning plates upstream and downstream of the blade cascade to adequately represent the flow field and blade external heat transfer coefficient profiles for the actual turbine. The cooled central blade utilizes uniform crystal temperature sensors (UCTS) with six sensors each on the blade pressure and suction surfaces distributed radially and from LE to TE. The post-processed UCTS quantified the maximum wall temperature seen at each installed sensor location. The test procedure consisted of establishing supercritical CO2 cooling flow temperature and flow rate and maintaining it throughout the test. The flow rate aims to match that for the actual in-service turbine blade design and is maintained through an orifice restriction to keep the pressure differential between internal cooling flow and external hot flow nearly constant. For the sCO2 flow path external to the blade, temperatures were ramped throughout the test via control of the test loop’s natural gas burner heater. The maximum temperature seen was 468°C and held constant for a duration of 10 minutes at which the blade metal temperature was predicted to be at its maximum before ramping down. For the turbine blade design for service inlet conditions, external flow path computational fluid dynamics (CFD) results and an internal cooling 1-D thermal and hydraulic flow network model using experimentally validated correlations served as thermal finite element (FE) boundary conditions to predict blade metal temperatures. These predicted temperatures were subsequently utilized in a structural FE model to predict blade life ratings dictated by Haynes 282 creep strength data, having a strong dependence on temperature. The boundary conditions experienced during testing are used in the same workflow and compared to the experimental results, with the goal of validating the analysis methodology and providing insight on the uncertainty in local metal temperature predictions.

20 FOSSIL-FUELED POWER PLANTS↗

Phase transformations at interfaces: Observations from atomistic modeling

Here, we review the recent progress in theoretical understanding and atomistic computer simulations of phase transformations in materials interfaces, focusing on grain boundaries (GBs) in metallic systems. Recently developed simulation approaches enable the search and structural characterization of GB phases in single-component metals and binary alloys, calculation of thermodynamic properties of individual GB phases, and modeling of the effect of the GB phase transformations on GB kinetics. Atomistic simulations demonstrate that the GB transformations can be induced by varying the temperature, loading the GB with point defects, or varying the amount of solute segregation. The atomic-level understanding obtained from such simulations can provide input for further development of thermodynamics theories and continuous models of interface phase transformations while simultaneously serving as a testing ground for validation of theories and models. They can also help interpret and guide experimental work in this field.

36 MATERIALS SCIENCE↗

Investigating the effects of precise mass measurements of Ru and Pd isotopes on machine learning mass modeling

Atomic masses are a foundational quantity in our understanding of nuclear structure, astrophysics, and fundamental symmetries. The longstanding goal of creating a predictive global model for the binding energy of a nucleus remains a significant challenge, however, and prompts the need for precise measurements of atomic masses to serve as anchor points for model developments. We present precise mass measurements of neutron-rich Ru and Pd isotopes performed at the Californium Rare Isotope Breeder Upgrade facility at Argonne National Laboratory using the Canadian Penning Trap mass spectrometer. The masses of 108 Ru, 110 Ru, and 116 Pd were measured to a relative mass precision $\delta$⁢$m/m$ ≈ 10 -8 via the phase-imaging ion-cyclotron-resonance technique, and represent an improvement of approximately an order of magnitude over previous measurements. Further, these mass data were used in conjunction with the physically interpretable machine learning (PIML) model, which uses a mixture density neural network to model mass excesses via a mixture of Gaussian distributions. The effects of our new mass data on a Bayesian-updating of a PIML model are presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Shifting mineral and redox controls on carbon cycling in seasonally flooded mineral soils

Although wetland soils represent a relatively small portion of the terrestrial landscape, they account for an estimated 20%–30% of the global soil carbon (C) reservoir. C stored in wetland soils that experience seasonal flooding is likely the most vulnerable to increased severity and duration of droughts in response to climate change. Redox conditions, plant root dynamics, and the abundance of protective mineral phases are well-established controls on soil C persistence, but their relative influence in seasonally flooded mineral soils is largely unknown. To address this knowledge gap, we assessed the relative importance of environmental (temperature, soil moisture, and redox potential) and biogeochemical (mineral composition and root biomass) factors in controlling CO 2 efflux, C quantity, and organic matter composition along replicated upland–lowland transitions in seasonally flooded mineral soils. Specifically, we contrasted mineral soils under temperature deciduous forests in lowland positions that undergo seasonal flooding with adjacent upland soils that do not, considering both surface (A) and subsurface (B and C) horizons. We found the lowland soils had lower total annual CO 2 efflux than the upland soils, with monthly CO 2 efflux in lowlands most strongly correlated with redox potential (E h ). Lower CO 2 efflux as compared to the uplands corresponded to greater C content and abundance of lignin-rich, higher-molecular-weight, chemically reduced organic compounds in the lowland surface soils (A horizons). In contrast, subsurface soils in the lowland position (C g horizons) showed lower C content than the upland positions (C horizons), coinciding with lower abundance of root biomass and oxalate-extractable Fe (Fe o , a proxy for protective Fe phases). Our linear mixed-effects model showed that Fe o served as the strongest measured predictor of C content in upland soils, yet Fe o had no predictive power in lowland soils. Instead, our model showed that E h and oxalate-extractable Al (Al o , a proxy of protective Al phases) became significantly stronger predictors in the lowland soils. Combined, our results suggest that low redox potentials are the primary cause for C accumulation in seasonally flooded surface soils, likely due to selective preservation of organic compounds under anaerobic conditions. In seasonally flooded subsurface soils, however, C accumulation is limited due to lower C inputs through root biomass and the removal of reactive Fe phases under reducing conditions. Our findings demonstrate that C accrual in seasonally flooded mineral soil is primarily due to low redox potential in the surface soil and that the lack of protective metal phases leaves these C stocks highly vulnerable to climate change.

58 GEOSCIENCES↗

In-process monitoring and prediction of droplet quality in droplet-on-demand liquid metal jetting additive manufacturing using machine learning

Abstract In droplet-on-demand liquid metal jetting (DoD-LMJ) additive manufacturing, complex physical interactions govern the droplet characteristics, such as size, velocity, and shape. These droplet characteristics, in turn, determine the functional quality of the printed parts. Hence, to ensure repeatable and reliable part quality it is necessary to monitor and control the droplet characteristics. Existing approaches for in-situ monitoring of droplet behavior in DoD-LMJ rely on high-speed imaging sensors. The resulting high volume of droplet images acquired is computationally demanding to analyze and hinders real-time control of the process. To overcome this challenge, the objective of this work is to use time series data acquired from an in-process millimeter-wave sensor for predicting the size, velocity, and shape characteristics of droplets in DoD-LMJ process. As opposed to high-speed imaging, this sensor produces data-efficient time series signatures that allows rapid, real-time process monitoring. We devise machine learning models that use the millimeter-wave sensor data to predict the droplet characteristics. Specifically, we developed multilayer perceptron-based non-linear autoregressive models to predict the size and velocity of droplets. Likewise, a supervised machine learning model was trained to classify the droplet shape using the frequency spectrum information contained in the millimeter-wave sensor signatures. High-speed imaging data served as ground truth for model training and validation. These models captured the droplet characteristics with a statistical fidelity exceeding 90%, and vastly outperformed conventional statistical modeling approaches. Thus, this work achieves a practically viable sensing approach for real-time quality monitoring of the DoD-LMJ process, in lieu of the existing data-intensive image-based techniques.

Gaikwad, Aniruddha (ORCID:0000000285642621)↗

High-Fidelity Modelng and Simulation for a High Flux Isotope Reactor Low-Enriched Uranium Core Design

A high-fidelity model of the High Flux Isotope Reactor (HFIR) with a low-enriched uranium (LEU) fuel design and a representative experiment loading has been developed to serve as a new reference model for LEU conversion studies. With the exception of the fuel elements, this HFIR LEU model is completely consistent with the current highly enriched uranium HFIR model. Results obtained with the new LEU model provide a baseline for analysis of alternate LEU fuel designs and further optimization studies. The newly developed HFIR LEU model has an explicit representation of the HFIR-specific involute fuel plate geometry, including the within-plate fuel meat contouring, and a detailed geometry model of the fuel element side plates. Such high-fidelity models are necessary to accurately account for the self-shielding from 238 U and the depletion of absorber materials present in the side plates. In addition, a method was developed to account for fuel swelling in the high-density LEU fuel plates during the depletion simulation. In conclusion, calculated time-dependent metrics for the HFIR LEU model include fission rate and cumulative fission density distributions, flux and reaction rates for relevant experiment locations, point kinetics data, and reactivity coefficients.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Detecting Surface Changes from an Underground Explosion in Granite Using Unmanned Aerial System Photogrammetry

Efficient detection and high-fidelity quantification of surface changes resulting from underground activities are important national and global security efforts. In this investigation, a team performed field-based topographic characterization by gathering high-quality photographs at very low altitudes from an unmanned aerial system (UAS)-borne camera platform. The data collection occurred shortly before and after a controlled underground chemical explosion as part of the United States Department of Energy’s Source Physics Experiments (SPE-5) series. The high-resolution overlapping photographs were used to create 3D photogrammetric models of the site, which then served to map changes in the landscape down to 1-cm-scale. Separate models were created for two areas, herein referred to as the test table grid region and the nearfield grid region. The test table grid includes the region within ~40 m from surface ground zero, with photographs collected at a flight altitude of 8.5 m above ground level (AGL). The near-field grid area covered a broader area, 90–130 m from surface ground zero, and collected at a flight altitude of 22 m AGL. The photographs, processed using Agisoft Photoscan® in conjunction with 125 surveyed ground control point targets, yielded a 6-mm pixel-size digital elevation model (DEM) for the test table grid region. This provided the ≤3 cm resolution in the topographic data to map in fine detail a suite of features related to the underground explosion: uplift, subsidence, surface fractures, and morphological change detection. The near-field grid region data collection resulted in a 2-cm pixel-size DEM, enabling mapping of a broader range of features related to the explosion, including: uplift and subsidence, rock fall, and slope sloughing. This study represents one of the first works to constrain, both temporally and spatially, explosion-related surface damage using a UAS photogrammetric platform; these data will help to advance the science of underground explosion detection.

54 ENVIRONMENTAL SCIENCES↗

Autoignition study of binary blends of n- dodecane/1-methylnaphthalene and iso- cetane/1-methylnaphthalene

An experimental study on autoignition of two binary blends, n-dodecane/1-methylnaphthalene and iso-cetane/1-methylnaphthalene, has been conducted using a rapid compression machine. Specifically, the ignition delays of the stoichiometric blend+air mixtures were measured at elevated pressures of P C = 15 bar and 30 bar, compressed temperatures of T C = 626–944 K, and varying blending ratios of the constituents. For a given set of P C and T C , a nonlinear response of the blend reactivity with respect to the relative amount of the constituents was observed. Since a comprehensive chemical kinetic model for the blends investigated here is under development, the current ignition delay datasets serve as the needed targets for model validation. For selected conditions, ignition delay simulations were conducted to highlight and discuss the deficiencies of the literature models and the potential areas for model improvements, especially at low temperatures. In conclusion, further chemical kinetic analyses were conducted to gain understanding of the blending behavior predicted by the available model.

1-methylnaphthalene↗

The revised FLORIDyn model: implementation of heterogeneous flow and the Gaussian wake

In this paper, a new version of the FLOw Redirection and Induction Dynamics (FLORIDyn) model is presented. The new model uses the three-dimensional parametric Gaussian FLORIS model and can provide dynamic wind farm simulations at a low computational cost under heterogeneous and changing wind conditions. Both FLORIS and FLORIDyn are parametric models which can be used to simulate wind farms, evaluate controller performance and can serve as a control-oriented model. One central element in which they differ is in their representation of flow dynamics: FLORIS neglects these and provides a computationally very cheap approximation of the mean wind farm flow. FLORIDyn defines a framework which utilizes this low computational cost of FLORIS to simulate basic wake dynamics. This is achieved by creating so-called observation points (OPs) at each time step at the rotor plane which inherit the turbine state. In this work, we develop the initial FLORIDyn framework further considering multiple aspects. The underlying FLORIS wake model is replaced by a Gaussian wake model. The distribution and characteristics of the OPs are adapted to account for the new parametric model but also to take complex flow conditions into account. To achieve this, a mathematical approach is developed to combine the parametric model and the changing, heterogeneous world conditions and link them with each OP. We also present a computationally lightweight wind field model to allow for a simulation environment in which heterogeneous flow conditions are possible. FLORIDyn is compared to Simulator for Offshore Wind Farm Applications (SOWFA) simulations in three- and nine-turbine cases under static and changing environmental conditions. The results show a good agreement with the timing of the impact of upstream state changes on downstream turbines. They also show a good agreement in terms of how wakes are displaced by wind direction changes and when the resulting velocity deficit is experienced by downstream turbines. A good fit of the mean generated power is ensured by the underlying FLORIS model. In the three-turbine case, FLORIDyn simulates 4 s simulation time in 24.49 ms computational time. The resulting new FLORIDyn model proves to be a computationally attractive and capable tool for model-based dynamic wind farm control.

17 WIND ENERGY↗

Community Data Mining Approach for Surface Complexation Database Development

This paper presents a comprehensive data-to-model workflow, including a findable, accessible, interoperable, reusable (FAIR) community sorption database (newly developed LLNL Surface Complexation/Ion Exchange (L-SCIE) database) along with a data fitting workflow to efficiently optimize surface complexation reaction constants with multiple surface complexation model (SCM) constructs. This workflow serves as a universal framework to mine, compile, and analyze large numbers of published sorption data as well as to estimate reaction constants for parameterizing reactive transport models. Here the framework includes (1) data digitization from published papers, (2) data unification including unit conversions, and (3) data-model integration and reaction constant estimation using geochemical software PHREEQC coupled with the universal parameter estimation code PEST. We demonstrate our approach using an analysis of U(VI) sorption to quartz based on a first L-SCIE implementation, concluding that a multisite SCM construct with carbonate surface species yielded the best fit to community data. Surface complexation reaction constants extracted from this approach captured all available sorption data available in the literature and provided insight into previously published reaction constants and surface complexation model constructs. The L-SCIE sorption database presented herein allows for automating this approach across a wide range of metals and minerals and implementing novel machine learning approaches to reactive transport in the future.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Solar Field Layout and Aimpoint Strategy Optimization

The existing methods that determine heliostat aiming strategies for concentrating solar power (CSP) central receiver plants typically use heuristics and/or are computationally expensive, and they lack flexibility for different desired flux profiles and receiver geometries. Because of the interaction between layout and aimpoint strategy, considering the former without accounting for the latter may yield solutions with superfluous heliostats that cannot be used efficiently without compromising receiver flux constraints. To that end, we develop a software decision tool that uses innovative optimization methods to both optimize aimpoint strategies and improve candidate layouts for the solar collection field of a CSP central receiver plant. A CSP plant’s effectiveness relies on the optical efficiency of the solar field, which may be limited by losses due to (i) the cosine effect, (ii) atmospheric attenuation, (iii) interference (i.e., shading and blocking) between heliostats, (iv) spillage as a result of heliostat positioning and geometry, and (iv) some heliostats’ inability to direct irradiance to the receiver without damage due to excessive thermal flux. The goal of this work is to obtain optimized aiming strategies and improved solar field layouts that reduce capital cost and increase field optical efficiency and utilization, while meeting the power requirements of a given CSP receiver design. We formulate the aimpoint optimization problem as a mixed-integer linear programming model, which we then decompose into submodels that we solve in parallel. The decomposition subdivides the solar field into sections, and aimpoint strategies for each section are obtained independently of the others. To improve existing layouts, we develop a utilization-weighted efficiency metric that we use to relocate heliostats to sections of the solar field with similar efficiency and higher utilization. Finally, to connect our software to high-fidelity flux models, we develop a Python application programming interface for SolarPILOT, a mature software package that characterizes solar field performance and generates the heliostat layouts and flux maps that serve as input to our models.

14 SOLAR ENERGY↗

Vadose and Saturated Zone Flow and Transport Model Package Report for the Active Trenches of the Low-Level Burial Grounds, Hanford Site, Washington

This model package report (MPR) documents the development of the integrated vadose and saturated zone flow and transport model developed for the performance assessment of Trenches 31 and 34 in the low-level burial grounds (LLBGs). This modeling capability is intended for use in addressing the analysis requirements outlined in DOE O 435.1, Chg 1, Radioactive Waste Management1. The overall objective of the modeling effort is to provide a basis for making informed disposal decisions pertinent to Trenches 31 and 34. The purpose of the MPR is to document the development of the three-dimensional numerical vadose zone and saturated flow and transport model test case and evaluate its adequacy to support the LLBG performance assessment. The purpose is not to present results for DOE 435.1 decision making. The use of the model to perform base case and sensitivity analysis for the LLBG performance assessment, including inputs and results, is documented separately in subsequent environmental calculation files. This report discusses the development and translation of the conceptual model for flow and contaminant transport into the LLBG performance assessment three-dimensional numerical flow and transport model evaluated using the Subsurface Transport Over Multiple Phases (STOMP©) simulator. The development of representative geologic framework is described along with the implementation of waste release models used to represent contaminant release from waste disposed in the trenches. The report also provides the technical basis for specific model parameters and boundary conditions, along with description of modeling assumptions. This MPR includes certain calculations that are necessary to demonstrate the soundness of the model. Results provided by the model include vadose zone and saturated zone flow fields, and estimates of the possible future concentration in groundwater of technetium-99 and iodine-129 as example test cases. As an evaluation of the test cases, the model estimates of current vadose conditions are compared to available and analogous field and laboratory data, and compared to the results from the original performance assessment model (WHC-EP-0645, Performance Assessment for the Disposal of Low-Level Waste in the 200 West Area Burial Grounds 2 ). The features, events, and processes applicable to vadose zone and saturated zone flow and transport model are identified, and representative initial estimates for various parameters are documented. Note that the parameter estimates presented in this MPR are for illustration purposes, and may or may not reflect values selected for eventual performance assessment. Several key topical discussions (i.e., basis for recharge estimates, basis for vadose zone modeling, basis for saturated zone model development, and calibration) are included, which serve as the groundwork for confidence building for the groundwater pathway modeling and results. Numerical simulation results based on an example test case are included to illustrate the use of the combined saturated-unsaturated model in performance assessment calculations. Sensitivity and uncertainty results are not included in this MPR. Those results will be included in future environmental calculation files. The inclusion of the trapezoidal trench geometry and construction details in the finite difference grid introduces some gross simplifications regarding the trench and liner systems. The model test case presented in this MPR includes the assumption that the trench liner system does not affect flow through or around the trenches after the liner system is assumed to fail. This MPR also includes results of other test cases that involve alternate assumptions about how to incorporate the hydraulic effects of the trenches into the vadose zone of the model. These alternate cases do not attempt to account for the presence of the liner system after its assumed failure either. None of these cases is considered to be the base case at this time. Analysis and alternate cases that attempt to account for the presence of the liner system in greater detail, and its effect on flow through and around it, are to be documented in subsequent environmental calculation files. Depending on the results of those analyses and alternate cases, the eventual base case may involve more detailed inclusion of the effects of the liner system hydraulics.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Enhanced di-Higgs production in the two Higgs doublet model

We show that the rate for di-Higgs production at the LHC can be enhanced by a factor as large as 25 compared to the Standard Model value in the two Higgs doublet model, while being consistent with the known properties of the observed Higgs boson h. There are correlated modifications in $t\bar{t}h$ and resonant Zh production rates, which can serve as tests of this model. Our framework treats both Higgs doublets on equal footing, each with comparable Yukawa couplings to fermions. The Cheng-Sher ansatz for multi-Higgs doublet model is shown to be strongly disfavored by current experiments. We propose a new ansatz for the Yukawa couplings of the Higgs doublets Φ a is proposed, where $Y^{(a)}_{ij}$ = $C^{(a)}_{ij}$ · min{m i , m j }/v, with $C^{(a)}_{ij}$ being order one coefficients, m i the mass of fermion i and v the electroweak vacuum expectation value. Such a pattern of couplings can explain the observed features of fermion masses and mixings and satisfies all flavor violation constraints arising from the exchange of neutral Higgs bosons. The rate for μ → eγ decay and new contributions to CP violation in $B_s-\bar{B}_s$ mixing are predicted to be close to the experimental limits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Practical Multi-Cycle Refueling Simulation of Stable Salt Reactors Based on REBUS Depletion Calculation

A Python software tool ReloadPy has been developed to assistant in formulating online refueling strategies for a family of stable salt reactors. ReloadPy wraps over the legacy fast reactor analysis codes REBUS, DIF3D, and PERSENT. These codes are used to perform single cycle depletion analysis and calculate reactivity worth and power density. ReloadPy determines a refueling assembly position to achieve the user-specified primary objective while satisfying constraints on various performance parameters such as the maximum power density, the maximum reactivity worth of reloaded assembly, and the minimum cycle length. Various capabilities of prescribing refueling sequence or a range of candidate refueling positions and restarting a previous simulation with altered options are implemented to reduce the required user’s efforts to investigate different refueling strategies. This report presents the computational models and methods and also serves as a user guide. Long-term simulation capabilities with different refueling strategies are demonstrated by a series of sample SSR refueling calculations with two-dimensional surrogate core models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A simulation assessment of the thermodynamics of dense ion-dipole mixtures with polarization

Molecular dynamics (MD) simulations are employed to ascertain the relative importance of various electrostatic interaction contributions, including induction interactions, to the thermodynamics of dense, hot ion-dipole mixtures. In the absence of polarization, we find that an MD-constrained free energy term accounting for the ion-dipole interactions, combined with well tested ionic and dipolar contributions, yields a simple, fairly accurate free energy form that may be a better option for describing the thermodynamics of such mixtures than the mean spherical approximation (MSA). Polarization contributions induced by the presence of permanent dipoles and ions are found to be additive to a good approximation, simplifying the thermodynamic modeling. We suggest simple free energy corrections that account for these two effects, based in part on standard perturbative treatments and partly on comparisons with MD simulation. Even though the proposed approximations likely need further study, they provide a first quantitative assessment of polarization contributions at high densities and temperatures and may serve as a guide for future modeling efforts.

74 ATOMIC AND MOLECULAR PHYSICS↗

Science Personality and STEM Ambassador

Dr. Amy Elliott has had unique opportunities to serve as a STEM role model through her various media production projects. Her debut on screen was as a competitor on an engineering reality show competition called “The Big Brain Theory,” aired by The Discovery Channel. Following this competition, Dr. Elliott served as an on-camera host for RoboNation’s water-based, annual collegiate competitions and for The Science Channel’s viral video show, “Outrageous Acts of Science.” Dr. Elliott also serves as volunteer pit-crew for Green Envy Racing, a woman-lead race team that seeks to set and speed records with electric motorcycles. Because of Dr. Elliott’s public exposure, she was selected as an IF/THEN Ambassador by the American Associate for the Advancement of Science (AAAS), a program that seeks to highlight women as STEM role models. Dr. Elliott’s work in 3D printing is frequently a source of inspiration for her.

Elliott, Amy↗