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DOE OSTI2020

Opening the Door to Grid-Interactive Efficient Buildings with Energy Codes

Building codes represent standard design practice in the construction industry and must continually evolve to account for advancing technologies and innovative practices. Energy codes have historically focused on energy efficiency within buildings and across their systems. However, many of tomorrow's technologies go beyond efficiency and target increased flexibility. These demand flexibility (DF) measures can postpone or reduce building electric load based on price or other grid signals, and include smart appliances, connected lighting, and connected mechanical systems. Expanding codes to enable such grid-interactive efficient building (GEB) has the potential to influence their realization at scale, which will support renewable-energy grid-integration and building-sector decarbonization. However, considering DF measures in code development creates a new set of challenges for codes and the practices contained therein. This paper considers the role of building energy codes in enabling GEB. Specifically, it reviews the status of demand flexibility (DF) measures in current commercial building energy code. It examines the national model code development process and identifies components barring the consideration and inclusion of DF measures - including code scope, characterization and analysis of proposed new prescriptive measures, and accounting for time-of-day and geographic differences in their benefits. The paper presents findings from code development analyses that indicate the cost benefit of DF measures and the limitations associated with current code development conventions. To encourage building flexibility and improved energy resilience moving forward, recommendations are made for removing code development barriers and sanctioning DF measure consideration in future model codes.

Building Energy Codes and Standards, Grid-Interact↗

DOE OSTI2022

Verification of a specialized hydrodynamic simulation code for modeling deflagration and detonation of high explosives

A specialized hydrodynamic simulation code has been developed and verified for the simulation of one-dimensional unsteady problems involving the detonation and deflagration of high explosives. To model all the relevant physical processes in these problems, a code is required to simulate compressible hydrodynamics, unsteady thermal conduction, and chemical reactions with complex rate laws. Several verification exercises are presented which test the implementation of these capabilities. The code also requires models for physics processes such as equations of state and conductivity for pure materials and mixtures as well as rate laws for chemical reactions. Additional verification tests are required to ensure that these models are implemented correctly. Though this code is limited in the types of problems it can simulate, its computationally efficient formulation allows it to be used in calibration studies for reactive burn models for high explosives. Furthermore, this study demonstrates how a series of verification tests can be used to ensure that the various physics processes needed to simulate complex phenomenon can be tested to ensure that they are correctly implemented.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Generic EMT Modeling for IBR

In support of IEEE P2800.2, PNNL is developing an informative annex about “Generic EMT Modeling for IBR”. A literature review has been conducted, covering an IEEE Task Force, Cigre Working Group, IEEE standards, NERC reports, and research articles. In addition, the vendors of widely used simulation tools have been contacted to verify the availability of real-code models of inverters. Illustrative computer simulations will be conducted, once real-code models become accessible. If the simulation results of a real-code model are obtained, a comparative study will be performed.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Adapting Code Verification Methodology to Model Form

Code verification is an essential part of credibility analysis for computational models. It assesses whether the mathematical model is implemented correctly into the code and whether the numerical methods behave consistently, and is done before solution verification and validation. Robust guidance for code verification exists in the literature. However, there is no known, concise guide for selecting the approach based on the model form that also presents an overview of the common elements. This document was written to address this gap as an accessible reference for beginning a code-verification effort.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Monte Carlo Hauser-Feshbach computer code system to model nuclear reactions: YAHFC

A computer program framework, YAHFC, to model low-energy nuclear reactions is presented. The framework allows for reactions with incident particles ranging from protons/neutrons to alphas and is designed to address reactions that ultimately lead to the formation of compound nuclear systems that then decay statistically as outlined in concepts of Hauser and Feshbach. Additionally, instead of a reaction, it is also possible to model the decay of a nuclear system with an initial excitation and population. The code models nuclear decays with a Monte Carlo process that tracks the decay of each state. This allows for an exact representation of the spectra for all emitted particles in each of the final exit channels and the possibility of generating reaction data for simulation purposes. The program is interfaced with the optical model code system FRESCOX to calculate transmission coefficients as well as the effects of coupled channels and other direct excitations via the distorted wave Born approximation (DWBA). Modules are included to account for nuclear processes such as width corrections, pre-equilibrium emission, and fission. The program is controlled by a series of input commands and while a set of input parameters exists for each projectile and target, the input commands allow for complete control over each input parameter. Extensive data files are produced and a program is provided that converts YAHFC data files into nuclear data library entries in the generalized nuclear data structure (GNDS).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

PARFUME/BISON Fission Product Release Predictions versus AGR-3/4 Heating Test Measurements

The fuel performance modeling codes PARFUME (PARticle FUel ModEl) and BISON were used to predict the release of fission products silver, cesium, and strontium from as-irradiated fuel compacts containing tristructural isotropic (TRISO) coated particles during heating tests post irradiation. The AGR-3/4 fuel compacts were irradiated as part of the third and fourth series of planned experiments to support the Advanced Gas Reactor (AGR) program. The heating tests were conducted at temperatures between 1200°C and 1700°C to simulate reactor accident conditions. The measured fission product release fractions from the heating tests were compared to modeling predictions calculated by PARFUME and BISON to evaluate how the codes compare to experimental results. Comparisons between the experimental measured fission product release fractions from silver, cesium and strontium indicate that both modeling codes overpredict the fission product release fractions demonstrating that the diffusivities used in the codes are overestimated. This results in a conservative estimate predicted by the codes when evaluating the fission product release relative to experimental data as it pertains to silver, cesium, and strontium.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

FullWave — A Full Wave Parallel Code for Modeling RF Fields in Hot Tokamak Plasma

FullWave is a computer code that simulates how radio-frequency (RF) waves travel and deposit energy in the hot plasma inside a fusion reactor. RF waves are used to heat the plasma and drive electrical current, which is essential for sustaining fusion reactions. The code uses a new algorithm that can handle much finer spatial detail than previous codes — more than 100 times finer — while running efficiently on national supercomputers. It incorporates a detailed physics model that captures subtle kinetic effects important for accurate prediction of wave behavior. Under this project, FullWave was extended to cover multiple RF frequency ranges relevant to present and future tokamaks, and validated against experimental parameters from the DIII-D tokamak at General Atomics. Results were published in peer-reviewed journal articles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Assessment of the CTF subchannel code for modeling a large-break loss-of-coolant accident reflood transient

With increased industry interest in extending reactor operating cycles, the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program has been investigating the behavior of high-burnup fuel during design basis accidents such as the large-break loss-of-coolant accident (LBLOCA) with consideration for risk of fuel fragmentation, relocation, and dispersal (FFRD). As part of that activity, the NEAMS subchannel thermal/ hydraulics (T/H) code, CTF, is being used for modeling of LBLOCA and to determine the impact of subchannel resolution on results. Although CTF includes a wide range of models for LBLOCA conditions, the code has not been used for this application while maintained at Oak Ridge National Laboratory (ORNL) until now. Therefore, here, in this work, a preliminary assessment of several of these models was performed using openly available reflood experimental data from the Flooding Experiments in Blocked Arrays (FEBA) tests. One coarse mesh and one fine mesh model were set up in CTF for high and low flooding rate tests performed in the unblocked FEBA facility. A coarse TRACE model was set up to be as consistent as possible with the coarse CTF model to allow for code-to-code benchmarking. The assessment shows a tendency of the codes to over-predict peak cladding temperature (PCT) near the top of the bundle and to quench early. Advanced spacer grid models were shown to improve upper bundle predictions in CTF. The resolved CTF model over-predicted PCT by a larger degree in the center channels in the low-flooding rate test, and it is believed that the radiative heat transfer model, which was not used in this study, may be needed to correct this over-prediction. Finally, this work demonstrates the importance of the droplet model in determining quench time and vapor temperature and PCT prediction, which necessitates a more in-depth validation of these models in the future.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2026

Xanthos-Lake Model Source Code

This repository contains the source code for Xanthos-Lake, a lake-modeling extension of the Xanthos framework that introduces a coupled lake component comprising the Xanthos-Lake Snow and Ice Model (xLSIM) and the Xanthos-Lake Water Balance Model (xLWBM). xLSIM is a basin-aware machine-learning model for lake snow, ice, and thermal conditions. It predicts monthly lake ice thickness, snow depth, snow-cover fraction, mixing-layer temperature, and lake ice fraction from meteorological forcing and lake surface-area information. It uses sequence-based deep-learning architectures, including Transformer and hybrid Long Short-Term Memory–Transformer (LSTM–Transformer) models, together with seasonal encoding, multi-lake learning, physical masking, and basin-level cryospheric and non-cryospheric classification. The training workflow uses Ray for scalable execution and includes optional Ray Tune hyperparameter optimization. Model predictions, observations, diagnostics, and feature-importance outputs are written in NetCDF. xLWBM is the water-balance component of the new lake framework. It simulates monthly lake storage, surface area, evaporation, inflow, outflow, and lake–groundwater exchange. It combines physical water-balance equations with calibrated bathymetric relationships, weir-based outlet flow, modified Penman open-water evaporation, groundwater head relaxation, Penman–Monteith snow and ice sublimation, and snow, ice, and thermal conditions supplied by xLSIM. The model calibrates lake parameters against satellite-derived surface-area data, using evaporation-based calibration where surface-area data are unavailable, and supports small, medium, and large lake classes. For large lakes, xLWBM is integrated with the managed-routing workflow so that lake storage and outflow interact directly with downstream river routing and reservoir operations. Together, xLSIM and xLWBM provide Xanthos with a coupled lake-modeling capability. xLSIM supplies the snow, ice, and thermal conditions that affect lake evaporation and snow- and ice-related water exchanges, while xLWBM translates those conditions into dynamic lake storage, surface area, evaporation, and discharge. In return, xLWBM supplies evolving lake surface area to xLSIM. This coupling enables Xanthos to represent lakes as active hydrologic components within basin-scale water-availability and routing simulations.

Machine Learning↗

DOE OSTI2025

Nuclear excitation functions for medical isotope production: Targeted radionuclide therapy via nat IR$(d, x)$ 193m Pt

193m Pt is an Auger emitting radionuclide which may have therapeutic potential, particularly when labeled to the chemotherapeutic drug cisplatin. One challenge to broader explorations of its clinical potential is the need for production routes with high specific activity. As part of a larger campaign to address gaps in reaction data for emerging medical radionuclides, this work seeks to characterize the nat Ir(d,x) reactions as a potential production pathway for 193m Pt. A stacked target irradiation, consisting of natural iridium, iron, nickel, and copper foils, was performed using a 33 MeV deuteron beam at the Lawrence Berkeley National Laboratory 88-Inch Cyclotron. This measurement, along with previous experimental data, suggests an energy window between 11 to 18 MeV to maximize the production and radiopurity of 193m Pt. This experiment has yielded cross sections for 43 channels of deuteron-induced reactions from threshold to 30 MeV, including the first experimental results of nat Ir(d,x) 188m1+g,190m1+g Ir (cumulative), nat Ni(d,x) 56,57,58 m,58g Co (independent), nat Cu(d,x) 61 Co (cumulative) and nat Fe(d,x) 53 Fe, 48 V (cumulative). The results were compared with literature data, the TENDL-2023 database, and default theoretical calculations from the TALYS-2.04, CoH-3.6.0, EMPIRE 3.2.3, and ALICE-2020 reaction modeling codes. Here, this work presents another example of the lack of predictive capabilities for this set of modern nuclear-reaction modeling codes, and highlights the unsatisfactory modeling of experimental cross sections. Experimental data are important to improve the codes in general, and new experimental results can be used to improve the models. Finally, this measurement has revealed the need for an updated evaluation of the nat Cu(d,x) 63 Zn deuteron monitor reaction.

193mPt↗

DOE OSTI2021

Cathode to Target Simulations for Scorpius: I. Simulation Codes and Models

The new Scorpius linear induction electron accelerator is under development for multi-pulse flash radiography of large, explosively-driven hydrodynamic experiments. Beam physics from the cathode to the target was examined with computer simulations, including envelope, ray-trace, and particle-in cell (PIC) codes. Beam instabilities investigated included beam breakup (BBU), image displacement, diocotron, parametric envelope, ion hose, and the resistive wall instability. Beam corkscrew motion and emittance growth from beam mismatch were also studied. The results of these simulations is documented in a series of reports. In this report the computer codes and physical models used for these simulations are described. The conclusion of this study is that Scorpius will produce and accelerate a beam with radiographic quality equivalent to the present accelerators at Los Alamos National Laboratory if the same engineering standards and construction details are upheld.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

High- and Mid-Fidelity Modeling Comparison for a Floating Marine Turbine System: Preprint

There is a lack of suitable numerical tools, particularly open-source tools, that can be used for designing and optimizing marine turbine systems. The National Renewable Energy Laboratory (NREL) has added features to their widely used mid-fidelity wind turbine modeling code, OpenFAST, to enable modeling of axial flow marine turbines. This necessitated the addition of several physical effects relevant to marine turbines that can be neglected for wind turbines. These include buoyant loads, added mass and inertia loads, wave-current superposition, and changes to the coordinate systems. This updated version of OpenFAST allows for the modeling of both fixed and floating marine turbine systems at a speed comparable to real time. While efficient for long simulations, large sets of load cases, and design studies, mid-fidelity codes cannot capture all of the potentially important physical phenomenon impacting marine turbine systems. High-fidelity computational fluid dynamics (CFD) simulations can capture more flow effects with fewer assumptions and provide detailed body pressure mapping and flow-field information. It is important to compare predictions between mid-fidelity and high-fidelity codes, both to verify the models and to understand the limitations. A floating marine turbine system designed by NREL was modeled both with OpenFAST and with the commercial CFD code, STARCCM+. The CFD model used a 3-D unsteady Reynolds-averaged Navier-Stokes solver for a volume-of-fluid numerical wave and current tank. The blade-resolved simulations used the sliding-interface technique for the spinning rotor and an overset grid to accommodate the rigid-body motion of the floating system. The mooring system was modelled with a custom coupling of the CFD solver with the open-source code, MoorDyn. This improves upon the existing quasi-static catenary solver in STARCCM+, which lacks seabed contact or line-to-line connections. Spatial and temporal convergence studies were conducted. The simulation results for a combined current and wave condition are compared between OpenFAST and CFD, highlighting the capabilities of the mid-fidelity code and identifying the areas where a high-fidelity approach is needed.

CFD↗

DOE OSTI2024

High- and Mid-Fidelity Modeling Comparison for a Floating Marine Turbine System

There is a lack of suitable numerical tools, particularly open-source tools, that can be used for designing and optimizing marine turbine systems. The National Renewable Energy Laboratory has added features to their widely used mid-fidelity wind turbine modeling code, OpenFAST, to enable modeling of axial-flow marine turbines. This necessitated the addition of several physical effects relevant to marine turbines that are neglected for wind turbines. These include buoyancy, added mass and inertial loads, wave-current superposition, and changes to the coordinate systems. This updated version of OpenFAST allows for the modeling of both fixed and floating marine turbines at a speed comparable to real time. While efficient for large sets of load cases and design studies, mid-fidelity codes make simplifying assumptions that may impact their accuracy. High-fidelity computational fluid dynamics (CFD) simulations can capture more flow effects with fewer assumptions and provide detailed body pressure mapping and flow-field information. It is important to compare predictions between mid-fidelity and high-fidelity codes, both to verify the models and to understand the limitations. A floating marine turbine system was modeled both with OpenFAST and with the commercial CFD code STAR-CCM+. The CFD model used a three-dimensional unsteady Reynolds-averaged Navier-Stokes solver for a volume-of-fluid numerical wave and current tank. The blade-resolved simulations used the sliding-interface technique for the spinning rotor and an overset grid to accommodate the rigid-body motion of the floating system. The mooring system was modeled with a custom coupling of the CFD solver with the open-source code MoorDyn. This improves upon the existing quasi-static catenary solver in STAR-CCM+, which lacks seabed contact or line-to-line connections. Simulation results for a floating marine turbine are compared between OpenFAST and CFD, highlighting the capabilities of the mid-fidelity code and identifying the areas where a high-fidelity approach is needed.

CFD↗

DOE OSTI2020

MBMS1.0: An Open-Source Code for Modeling and Simulation of Membrane-Based Dehumidification and Energy Recovery

Membrane-based dehumidification is currently being considered as a promising solution for the building application due to its low cost and very limited energy consumption. Developing a simple and efficient open-source code simulation tool is important for boosting the optimization and evaluation of such device in HVAC community. This paper reports a first-order physics based model which accounts for the fundamental heat and mass transfer of humid-air vapor at feed side to flow stream at permeate side. The current model comprises two membrane mass transfer submodels (i.e. microstructure model and performance map model); and it adopts a segment-by-segment methodology for discretizing heat and mass transfer governing equations. The model is capable of simulating both dehumidifiers and energy recovery ventilators with parallel-flow cross-flow, and counter-flow configurations. The model was validated with the measurements at appropriate device. The practices in dehumidification and energy recovery exchangers are also discussed. The model and open-source codes are expected to become a solid fundament for developing a more comprehensive and accurate membrane-based dehumidification in the future.

Gao, Zhiming↗

DOE OSTI2022

Comparison of Fission Product Release Predictions using PARFUME and BISON with Results from the AGR-3/4 Irradiation Experiment

The PARFUME (PARticle Fuel ModEl) fuel performance modeling code and the BISON nuclear fuel performance application built on the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element library were used to predict the fission product release from tristructural isotropic (TRISO) coated fuel particles and compacts during the third and fourth irradiation experiment of the Advanced Gas Reactor (AGR-3/4) Fuel Development and Qualification Program. The fuel performance modeling codes PARFUME and BISON modeled the AGR-3/4 irradiation experiment using the fuel compact time-averaged volume averaged (TAVA) daily temperatures for a total irradiation duration of 369.1 effective full power days (EFPD) to predict the release fraction of the fission product silver (Ag-110m) from a representative TRISO-coated fuel particle from AGR-3/4 compacts. Post-irradiation examination (PIE) measurements provided data on the release of these fission products in the compacts outside of the silicon carbide (SIC) layer. The PARFUME and BISON results were then compared to the silver release measured from compact gamma scanning. The results showed good agreement between PARFUME and BISON but both codes under-predicted the silver release fraction for all the compacts. In addition, BISON was used to model and predict the fission product concentration radial profile outside of the compacts in capsules’ inner and outer rings. These rings were either comprised of matrix and/or structural graphite. To obtain the concentration profiles of silver, cesium, and strontium, a sorption isotherm model was developed in BISON to capture the effects of fission product transport across the gaps between the concentric rings. The general shape of the concentration radial profiles as calculated by BISON were similar in the inner ring (IR) but varied in the outer ring (OR) depending on the fission product of interest or capsule temperature. Using this methodology and model, BISON now has the capability to aid in developing new fission product diffusion coefficients for matrix or structural graphite materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

ERF: Energy Research and Forecasting Model

High performance computing (HPC) architectures have undergone rapid development in recent years. As a result, established software suites face an ever increasing challenge to remain performant on and portable across modern systems. Many of the widely adopted atmospheric modeling codes cannot fully (or in some cases, at all) leverage the acceleration provided by General-Purpose Graphics Processing Units, leaving users of those codes constrained to increasingly limited HPC resources. Energy Research and Forecasting (ERF) is a regional atmospheric modeling code that leverages the latest HPC architectures, whether composed of only Central Processing Units (CPUs) or incorporating GPUs. ERF contains many of the standard discretizations and basic features needed to model general atmospheric dynamics. The modular design of ERF provides a flexible platform for exploring different physics parameterizations and numerical strategies. ERF is built on a state-of-the-art, well-supported, software framework (AMReX) that provides a performance portable interface and ensures ERF's long-term sustainability on next generation computing systems. This paper details the numerical methodology of ERF, presents results for a series of verification/validation cases, and documents ERF's performance on current HPC systems. The roughly 5× speed up of ERF (using GPUs) over Weather Research and Forecasting (CPUs only) for a 3D squall line test case highlights the significance of leveraging GPU acceleration.

17 WIND ENERGY↗

DOE OSTI2025

Adopting Code Verification Methodology Based on Model Form

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Benchmarking FFTF LOFWOS Test# 13 using SAM code: Baseline model development and uncertainty quantification

The development and deployment of advanced reactors, such as the sodium-cooled fast reactor (SFR), relies on sophisticated modeling tools to ensure the safety of the design under various transients. The predictive capability of these advanced modeling tools requires validation to garner trust in supporting the licensing of the advanced reactors. For this reason, the International Atomic Energy Agency (IAEA) initiated a coordinated research project (CRP) in 2018 for the analysis of the Fast Flux Test Facility (FFTF) Loss of Flow Without Scram (LOFWOS) Test #13.In this study, we present and discuss the benchmarking efforts of the modern system code SAM on the FFTF LOFWOS Test #13. Further, the SAM baseline model was developed according to the benchmark specification, which included a detailed core model with reactivity feedback. Generally, good agreement was observed between the baseline results and benchmark measurements; however, discrepancies persisted, particularly in predicted fuel assembly coolant outlet temperatures. Utilizing the baseline model, uncertainty quantification (UQ) and sensitivity analysis (SA) were conducted with the assistance of various statistical learning and machine learning methods, including kernel density estimation, Gaussian processes, and Sobol indices. Following the baseline model prediction and UQ and SA results, we discuss the reasons for the simulation discrepancies and propose further improvements to the model. This benchmarking effort adheres to the best-estimate plus uncertainty approach and can serve as a valuable example for supporting risk-informed licensing of advanced reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗