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At least 271 records · Page 15

Evaluation of LLVM Flang for Production HPC Applications and Modern Fortran Features

In 2025, LLVM released its first Flang Fortran compiler version considered ready for widespread evaluation. We know of no published assessment of Flang compiling a workload- derived portfolio of high-performance computing (HPC) applications. We address this gap using workload data from the National Energy Research Scientific Computing Center (NERSC), which supports more than 10,000 scientists on approximately 1,000 projects. The NERSC workload analyses identify many Fortran components in heavily used applications. We selected 10 such packages with available source code. We compiled them with Flang 22.1.3 on NERSC’s Perlmutter system. Six compiled without code modifications, though some required build-system changes. Three compiled after minor source edits, mostly to address Fortran standard violations. One built only without OpenMP enabled. We evaluated seven additional packages selected for their use of, or enablement of, standard Fortran parallel features: multi-image execution and do concurrent. Six such codes compiled with most or all unit tests passing.

Rasmussen, Katherine↗

Building an EPA Class VI Permit Application

Summary To accelerate the commercialization of carbon capture and storage (CCS), the US Department of Energy (US DOE) is building on decades of characterization efforts and pilot-scale projects through their CarbonSAFE program. Administered through their National Energy Technology Laboratory, this program seeks to bring fully integrated projects to the sector that can store more than 50 million tonnes of CO2 over a 30-year period. The program, which was enacted before the enhancement of Internal Revenue Code Section 45Q, is in the capture assessment, characterization, and permitting phase. The objectives of this paper are to discuss (a) the injection permitting requirements of the CarbonSAFE projects; (b) information gathering in support of the permit; (c) the timelines of field development and permit-related activities; (d) the major technical components of the field development plan; and (e) early feedback from the regulators toward acceptance of the permit. In Mississippi, more than 30,000 acres have been characterized by six deep characterization wells, a deep groundwater well, and 92 line miles of 2D seismic as part of the CarbonSAFE Project ECO2S. During the acquisition of seismic data, all receiver lines were live, which resulted in the generation of a pseudo-3D seismic design. The incorporation of a 3D seismic survey was not included as part of this project due to logistical difficulties presented by the undulating, wooded surface terrain. A suite of openhole geophysical logs was taken from each well, allowing for a detailed interpretation of prospective storage reservoirs and confining intervals to complement the analysis carried out on the 290 ft of a whole core that was cut through the prospective confining zone and storage reservoir. The detailed geologic and reservoir data were assembled and entered into a 3D model to assess the injection capacity and the area of review (AoR). This information fed into the detailed corrective action, monitoring, testing, and postinjection site care (PISC) modeling. The results have been exceptional. The geologic assessment has revealed three primary storage targets, ranging in depth from 3,500 ft to 6,000 ft. These storage reservoirs net 1,300 ft of sandstone, with mean porosity and permeability of 29% and 3.6 darcies, respectively. Together, these reservoirs have storage capacities that may exceed 20 million tonnes per square mile, making this a gigatonne prospect. Forward modeling of the project resulted in an AoR of 16 sq miles, injecting about 8000 t/d, for 30 years, via two deep injection wells. The excellent confining characteristics of the caprock, relatively simple geologic structure, and lack of historical well drilling activity in this area provide excellent containment of the injected CO2. Based on this work, the project has proposed 20 years of PISC. To date, only two US CO2 injection permits have been granted. These projects relied on a singular capture point feeding a singular sequestration point (source to sink), and considerations have not been made to garner CO2 emissions from other industrial sources. The Kemper County Storage Complex is a first-of-its-kind storage hub concept that looks to develop an area capable of storing significant quantities of CO2 from the region. Also, this work will show how characterization efforts, geological and numerical modeling efforts, and plan development were constructed in support of permit and incentives acceptance.

Energy & Fuels↗

A multi-scale time-series dataset of anthropogenic heat from buildings in Los Angeles County

The dataset contains hourly Anthropogenic heat (AH) from buildings in Los Angeles County, based on weather data from 2018. The hourly AH is aggregated at three spatial resolutions: 450m x 450m grid, 12km x 12km grid, and census tract. The AH is broken down into three components: building envelope surface convection, heating, ventilation, and air conditioning (HVAC) system heat release, and zone exfiltration and exhaust air heat loss. The dataset is created with the physics-based EnergyPlus building energy models to calculate individual buildings' AH considering WRF-UCM simulated microclimate conditions. Please refer to the paper "A multi-scale time-series dataset of anthropogenic heat from buildings in Los Angeles County" for more information about the data generation workflow and the data validation procedure. The data set contains two folders: the "output_data" folder holds the simulation results (EP_output and EP_output_csv), building metadata (building_metadata.geojson and building_metadata.csv), aggregated heat emission and energy consumption time-series data (hourly_heat_energy), and geographical data (geo_data) associated with the GEOID referenced in heat and energy consumption data. The "input_data" folder contains the raw data used to generate files in the "output_data" folder as well as data sets used in the validation. The code repository (https://github.com/IMMM-SFA/xu_etal_2022_sdata) holds the processing scripts for data curation, validation, and visualization.

Energy↗

Predictions of core plasma performance for the SPARC tokamak

SPARC is designed to be a high-field, medium-size tokamak aimed at achieving net energy gain with ion cyclotron range-of-frequencies (ICRF) as its primary auxiliary heating mechanism. Empirical predictions with conservative physics indicate that SPARC baseline plasmas would reach $\textit{Q}$ ≈ 11, which is well above its mission objective of $\textit{Q}$ > 2. To build confidence that SPARC will be successful, physics-based integrated modelling has also been performed. The TRANSP code coupled with the theory-based trapped gyro-Landau fluid (TGLF) turbulence model and EPED predictions for pedestal stability find that $\textit{Q}$ ≈ 9 is attainable in standard H-mode operation and confirms $\textit{Q}$ > 2 operation is feasible even with adverse assumptions. In this analysis, ion cyclotron waves are simulated with the full wave TORIC code and alpha heating is modelled with the Monte–Carlo fast ion NUBEAM module. Detailed analysis of expected turbulence regimes with linear and nonlinear CGYRO simulations is also presented, demonstrating that profile predictions with the TGLF reduced model are in reasonable agreement.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The Circular Home: Development and Demonstration of a Net Negative Carbon, Reusable Residence

This project started the development of an innovative modular building system intended for residential construction. The project was centered around single-family homes that were carbon-negative cradle-to-grave over a 100 year time frame, which is approximately double the current standard for operational life. The project sought to accomplish this objective by designing the modular home in a manner that ensures circularity, where the main house components can be used over several consecutive 50-year lifespans. To accomplish these objectives, this project utilized integrated design with the inclusion of life-cycle assessment to design the single-family house for architectural, structural, energy, mechanical, thermal, and moisture demands, while ensuring carbon negativity and annual net-zero energy use. The core technology of this project was the use of cross-laminated timber and biogenic materials, such as wood-fiber insulation, in the construction of the modular building units. The robustness and factory manufacturing ability of cross-laminated timber allow for factory construction of most of the home, which minimizes on-site time, saving money and reducing construction waste. During this project, initial milestones were met that delivered the architectural plans for the circular home and an initial structural testing matrix. Compared to current code-built homes, which average 13 kg CO2eq. / ft2 and are demolished at their end of life, the circular home has an estimated -30 kg CO2eq. / ft2 of embodied carbon emissions during its first build iteration. It is estimated that approximately 60%-70% of the total building mass could be reused and/or recycled during subsequent rebuilds. This project was concluded at approximately the 1/3 point and a separate project was established to conclude the remaining milestones. This project promises to benefit the public by delivering another option for single-family, and eventually multi-family, housing using a novel building construction system. The system of reusable modular construction facilitates not only lower emissions during the first building iteration, but also lower emissions during subsequent iterations that drastically reduce waste and help society meet its climate goals. Many other industries, such as clothing and technology sectors, are starting to focus on circularity and this project adds the residential building construction industry to that list.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Central Asia Seismic Hazard Assessment (CASHA): A Probabilistic Seismic Hazard Assessment for Kazakhstan, Kyrgyzstan and Tajikistan

Probabilistic seismic hazard assessments (PSHA) underpin the calculation of earthquake loads in most building codes around the world. In Central Asia, the building codes are slowly being updated to incorporate some of the contemporary concepts of seismic hazard representation. There is also a regional desire to coordinate hazard assessments and building code modernization. However, some challenges remain. Expertise in the region related to seismic hazard assessments is still largely compartmentalised, requiring a significant amount of training and capacity building in seismic hazard assessment related topics. In addition, there are vast amounts of seismic data (bulletin and waveforms), both from analogue and digital eras, that the region’s countries stored but until recently did not use or share among themselves or with the broader seismological community around the world. Finally, after the collapse of the Soviet Union in the 1990s, many of the countries’ seismic networks suffered a major setback with the lack of attention and budget to update existing equipment and installation of new instruments. In order to address these issues, the United States Department of Energy through Lawrence Livermore National Laboratory (LLNL) initiated a project in 2016 to engage and train local scientists in Central Asia to install new equipment, to enhance the quality of seismic monitoring and reporting, to improve and harmonise the regional earthquake catalogue, and to conduct national probabilistic seismic hazard assessments using the new and improved datasets. To achieve the seismic hazard assessment related goals, a series of workshops were held in Almaty, Kazakhstan; Bishkek, Kyrgyzstan; and Dushanbe, Tajikistan from 2016 until 2020. During the time that the COVID-19 pandemic restricted travel, workshops continued online (22 online workshops were hosted in two years). Finally, in May 2022, an in-person workshop in Istanbul, Turkey brought together all project participants along with civil engineers engaged with building code activities in their respective countries, providing a platform to discuss the implementation of the hazard models into updates of building codes in each country, as well as to discuss model parameters, sensitivity analyses and model results in terms of hazard maps, uniform hazard spectra and hazard deaggregations. The workshops were a combination of lectures and hands-on exercises, and included international participation as well as local scientists and engineers. The workshops served several purposes, including training, coordination of data collection, interactions between local earth scientists and engineers, and brainstorming and knowledge exchange among local and international experts. This report outlines the new earthquake catalogue compilation effort and the PSHA project undertaken in Kyrgyzstan, Tajikistan, and Kazakhstan as part of this initiative. The southern part of this region is tectonically active with moderate to high levels of both shallow crustal seismic activity and occurrence of deeper earthquakes under the Hindu Kush and Pamir mountain ranges. Deeper earthquakes also occur near southwestern Kazakhstan, under the eastern Greater Caucasus and Caspian Sea. Large portions of central and northern Kazakhstan, on the other hand, are in stable continental regions with low levels of seismic activity. This study systematically compiles and improves all available data on local seismicity, active faults, and ground motion attenuation characteristics of the region; and builds a framework to enable a contemporary PSHA to be carried out with the engagement of local scientists. While the project was regional, the seismic hazard assessments are primarily driven by the countries’ own national preferences and understanding of data collection, interpretation, and validation of results.

58 GEOSCIENCES↗

The Impact of Operated Window Shading on Visual Comfort, Non-Visual Health, and Energy Demand from Electric Lighting

This paper introduces a simulation-based workflow to assess annual circadian lighting performance, glare risk and energy demand for an array of seated view positions under operated shading and electric lighting conditions. This workflow uses a combination of 9-band and 81-band simulations to represent daylight and electric lighting respectively. Annual daylight-driven calculations rely on a python-based code provided in the LARK simulation engine which was used to run 180-degree high dynamic range (HDR) renderings with 9-bands of spectral resolution. The results reveal the impact of shading systems on equivalent melanopic lux (EML) and daylight glare probability (DGP) over time and the energy demand (kWh) from electric lighting systems to supplement eye-level recommendations from the WELL v2 Building Standard.

Rockcastle, Siobhan↗

OCHRE™ Gymnasium (ochre_gym) [SWR-23-47]

OCHRE™ Gymnasium is a Python framework for conducting reinforcement learning research on residential building energy management problems. It is a lightweight wrapper around OCHRE, a Python-based thermal-electric residential building simulator developed in-house at NREL. OCHRE Gymnasium adheres to the standard OpenAI Gym API for a reinforcement learning environment. Detailed Sphinx documentation will be auto-generated and accompany this codebase. This documentation will detail the API, provide examples of how to use the code, etc.

Emami, Patrick↗

Haxall-based (Axon) fault auto-correction package for building HVAC system (Haxall-based Fault Correction) v1.0

Haxall-based Fault Correction is a set of fault auto-correction algorithms implemented using the Axon language. These algorithms can automatically fix equipment and control problems as they arise and improve the operation of building Heating, Ventilation, and Air Conditioning (HVAC) systems. The coded auto-correction algorithms include mitigation of rogue zones, ASHRAE Guideline 36 static pressure and supply air reset, resolution of control hunting due to improper settings in a proportional-integral-derivative controller, correction of biased temperature sensors, etc. FDD tools with enhanced auto-correction capability can resolve control problems as they are detected, increasing energy savings and emissions reductions while freeing up operational staff expertise for the hardest facility problems.

Vitti, Raphael↗

Field Demonstration of the Brick Ontology to Scale up the Deployment of ASHRAE Guideline 36 Control Sequences

Many commercial buildings have a vast network of sensors as part of their building automation systems (BAS) that allows opportunities for energy consumption and cost savings by deploying advanced control sequences. However, this resource is often underutilized since BAS are typically programmed with simple control sequences with limited potential to deliver on these opportunities. The recent availability of ASHRAE Guideline 36 (G36) with advanced HVAC control sequences supports control retrofits in existing buildings to unlock much of the savings potential. However, barriers such as the lack of standard naming convention of building assets and data points, proprietary equipment and BAS, and the inherent uniqueness of buildings and their systems prevent building stakeholders from adopting any “plug-and-play” implementation of G36. Instead, control vendors must often undertake the manual and labor-intensive point mapping process to identify a data stream’s functional and spatial relationship within the HVAC system along with other relevant contexts and map it to the new control sequences. The vendor must carry out the point mapping process in each individual building since the mapping is unlikely to port over to another building. Even for the same building, the point mapping process can occur multiple times if various control vendors implement different control retrofits and/or multiple control retrofits happen over the lifecycle of the building. Then, there is the likelihood that G36 control sequences are programmed uniquely to the building, preventing the same implementation from being reused in another. Therefore, this paper presents a field demonstration of how we leveraged the Brick ontology with BACnet, OpenBuildingControl’s Control Description Language (CDL), and open-source support tools to implement scalable and portable advanced building controls. These tools provide standardized semantic descriptions and relationships of the building’s assets and data points (Brick), standardized communication protocol to read from and write to the building’s BAS (BACnet), and standardized code implementations (CDL) of standardized advanced control strategies (G36). We implemented G36’s hot water supply temperature setpoint reset in a Berkeley, CA building for this field demonstration. This field demonstration aims to show how integrating these tools may streamline the deployment of advanced control sequences such as G36 in a consistent manner regardless of differences found across buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Dependence of Dust Formation on the Supernova Explosion

We investigate the properties, composition, and dynamics of dust formation and growth for a diverse set of core-collapse supernovae (CCSNe), with 15, 20, and 25 M ⊙ progenitor masses, explosion energies ranging from 0.5 to 120 foe, and varied engine type. These explosions are evolved with a 1D Lagrangian hydrodynamics code out to a minimum of 1157 days to model the ejecta as it expands and cools. A multigrain dust nucleation and growth model is applied to these results. We find that higher explosion energies lead to an earlier onset of dust formation, smaller grain sizes, and larger silicate abundances. Further, we see that nuclear burning during the explosion leads to enhanced formation of silicate dust. Finally, we build composite models from our suite to predict the efficiency of CCSN dust production as a function of metallicity.

79 ASTRONOMY AND ASTROPHYSICS↗

Factors Influencing Propensity for Stress Relaxation Cracking in Inconel® Alloy 740H® and Practical Guidance for Applications

Inconel® alloy 740H® (UNS N07740) was the first age-hardenable nickel-based alloy approved by the ASME Boiler & Pressure Vessel Code for use in pressure-boundary applications. In recent years, advanced energy systems such as supercritical CO2 power cycles have utilized alloy 740H in large demonstration projects driven by the requirement for higher fluid temperatures and pressures. Stress relaxation cracking (SRxC) following post-weld heat-treatment (PWHT), also known as strain age cracking (SAC), has been identified in a limited number of weldments during these industrial builds resulting in focused research to further clarify factors influencing this cracking tendency. This paper will summarize some of the findings from shop and field fabrication leading to successful welds and characteristics of observed SRxC. Laboratory experiments supported by microstructural characterization will be presented to highlight the importance of variables such as strain, material starting condition, and PWHT temperatures. Finally, the results will be summarized within the context of practical guidance for industry to successfully weld the material in boiler, heat exchanger, and piping applications.

14 SOLAR ENERGY↗

Fulcrum House – Towards a Sustainable Composite Architecture

In the last decades, the accessibility to digital fabrication technologies positioned composites as an affordable, structurally efficient and low-maintenance alternative to traditional mineral-based and high-energy materials. Of special interest are carbon nanotubes (CNT) and carbon foam (CFoam) from methane and coal pyrolysis respectively, as an environmentally friendly substitute to glass and carbon fiber. This paper presents the design of a principled single-family house, as a first case study to identify the constraints of such a material system, including technology gap, techno-economic and life cycle assessment, as well as building code requirements. In turn, the investigation proposes a suitable design-to-fabrication workflow, which potentially could bring CNT and CFoam materials to the construction of buildings.

01 COAL, LIGNITE, AND PEAT↗

Solidification and crystallographic texture modeling of laser powder bed fusion Ti-6Al-4V using finite difference-monte carlo method

Laser powder bed fusion (LPBF) additive manufacturing makes near-net-shaped parts with reduced material cost and time, rising as a promising technology to fabricate Ti-6Al-4V, a widely used titanium alloy in aerospace and medical industries. However, LPBF Ti-6Al-4V parts produced with 67° rotation between layers, a scan strategy commonly used to reduce microstructure and property inhomogeneity, have varying grain morphologies and weak crystallographic textures that change depending on processing parameters. Here, this study predicts LPBF Ti-6Al-4V solidification at three energy levels using a finite difference-Monte Carlo method and validates the simulations with large-area electron backscatter diffraction (EBSD) scans. The developed model accurately shows that a <001> texture forms at low energy and a <111> texture occurs at higher energies parallel to the build direction but with a lower strength than the textures observed from EBSD. A validated and well-established method of combining spatial correlation and general spherical harmonics representation of texture is developed to calculate a difference score between simulations and experiments. The quantitative comparison enables effective fine-tuning of nucleation density (N 0 ) input, which shows a nonlinear relationship with increasing energy level. Future improvements in texture prediction code and a more comprehensive study of N 0 with different energy levels will further advance the optimization of LPBF Ti-6Al-4V components. These developments contribute a novel understanding of crystallographic texture formation in LPBF Ti-6Al-4V, the development of robust model validation and calibration pipeline methodologies, and provide a platform for mechanical property prediction and process parameter optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

dGen™ (Distributed Generation Market Demand Model) [SWR-17-09]

The Distributed Generation Market Demand (dGen™) model is a geospatially rich, bottom-up, market-penetration model that simulates the potential adoption of distributed energy resources (DERs) for residential, commercial, and industrial entities in the continental United States through 2050. The National Renewable Energy Laboratory (NREL) developed dGen to analyze the key factors that will affect future market demand for distributed solar, wind, storage, and other DER technologies in the United States within a single modeling platform. The dGen model builds on, extends, and provides significant advances over NREL’s SolarDS model (Denholm et al. 2009), which is now deprecated. All Authors and Contributors are alphabetized in the Developers section with Authors of Code listed first, followed by Contributors and do not reflect equal contributions.

Sigrin, Benjamin↗

Control And Optimization Modular Modeling Application For Nuclear Deployment

The purpose of the COMMAND code is to provide a flexible, scalable tool for use in developing, integrating, and testing the technologies necessary for achieving autonomous operations of advanced nuclear reactors. The code enables users to efficiently implement custom simulations and experiments by combining key methods from different software modules. These modules are focused on: modeling and simulation tools, such as nuclear simulation tools used for high-fidelity modeling (e.g., Reactor Excursion and Leak Analysis Program [RELAP5-3D] and Monte Carlo N-Particle [MCNP]); machine learning and optimization tools (e.g., anomaly detection and data-driven modeling techniques); advanced control in its digital, high-performance, and supervisory control forms (e.g., proportional integral derivative (PID) control and model predictive control (MPC); and integration with hardware through industrial communication protocols. To ensure flexibility and scalability, COMMAND was designed to be both modular—the software “pieces” all inherit from generic building blocks and can be combined and connected to create complicated simulations—and high performing—designed for parallel processing, enabling simulations and experiments to take advantage of multi-core computers, servers, and nodes. The code is written in the Python programming language due to the language's popularity, active community, and open-source and cross-platform nature. Maintaining consistency with other simulation tools used within the nuclear energy community, users implement simulations and experiments through text input files, which define components, parameters, connections, etc., through lines of text. Given that COMMAND is written in Python, these input files are native Python scripts, and so use the standard Python structure and formatting. This also enables users to take advantage of Python's extensive package library to develop custom capabilities for their specific use cases.

Faber, Jacob [Idaho National Laboratory (INL), Ida↗

Multi-scale fission product release model with comparison to AGR data

TRistructural ISOtropic (TRISO) particle fuel is central to several advanced, high-temperature reactor designs. Each particle consists of a fuel kernel encapsulated by three layers of carbon and ceramics that prevent the release of fission products and ensure physical integrity. Despite outstanding retention properties, fission product release has been observed from intact particles. To better understand and quantify fission product release from TRISO particles, a multiscale, mechanistic model of fission product transport is being developed by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. Previous work focused on silver (Ag) transport and improved Ag release predictions. The work described in this report builds on this experience to better understand cesium (Cs) transport in silicon carbide (SiC), the main barrier to the release of fission products. Atomistic simulations provide bulk and grain boundary (GB) Cs diffusivities in SiC, which are used by phase field simulations in the mesoscale code Marmot to determine the temperature, microstructure, and irradiation-dependent Cs diffusivity at the mesoscale in SiC. This approach attributes the different temperature regimes experimentally observed for Cs diffusivities in SiC to a transition from bulk-dominated diffusivity at high temperatures to a GB-dominated regime at low temperatures, providing new insight. The multiscale, mechanistic effective diffusivity is then implemented in the fuel performance code BISON and further validated by comparing Cs release predictions from Advanced Gas Reactor (AGR)-1 and AGR-2 post-irradiation measurements. The new model improves BISON’s predictability. This document also reports improvements made on Ag transport modeling by accounting for different GB types having different diffusivities. Moreover, this report details preliminary efforts to model palladium (Pd) attack of the SiC at the mesoscale using a phase field approach. Pd attack and its impact on accelerated Ag transport remains a misunderstood phenomenon, and we use the model to demonstrate that the formation of lamellae that has been observed in experiments can be explained by the reaction of Pd with SiC to form alternating layers of graphite and Pd 2 Si. This effort aims to improve our understanding of the reaction and eventually provide a model for BISON to account for Pd penetration and its effects on fission product release.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Solar Energetic Proton Access to the Inner Magnetosphere During the September 7–8, 2017 Event

Here, the access of solar energetic protons into the inner magnetosphere on September 7–8, 2017 is investigated by following reversed proton trajectories to compute the proton cutoff energy using the Dartmouth geomagnetic cutoff code (Kress et al., 2010, https://doi.org/10.1029/2009sw000488). The cutoff energies for protons coming from the west and east direction, the minimum and maximum cutoff energy respectively, are calculated every 5 min along the orbit of Van Allen Probes using TS07 and the Lyon-Fedder-Mobarry (LFM) MHD magnetic field model. The result shows that the cutoff energy increases significantly as the radial distance decreases, and that the cutoff energy decreases with the building up of the ring current during magnetic storms. Solar wind dynamic pressure also affects cutoff suppression (Kress et al., 2004, https://doi.org/10.1029/2003gl018599). The LFM-RCM model shows stronger suppression of cutoff energy than TS07 during strong solar wind driving conditions. The simulation result is compared with proton flux measurements, showing consistent variation of the cutoff location during the September 7–8, 2017 geomagnetic storm.

79 ASTRONOMY AND ASTROPHYSICS↗