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DOE OSTI2026

Truchas Overview

Truchas and Truchas-PBF are two sister codes for part-scale multi-physics modeling of manufacturing processes. Both programs are open source and made publicly available. They’re designed for efficient use of HPC resources and can be programmatically driven from Python packages. This enables automatic execution and analysis of ensembles of simulations, in some cases allowing 1000s of simulations to be evaluated in a day on HPC. Beyond just giving engineers a window into the concealed internal state of a system, the goal of Truchas is to provide a framework for developing novel manufacturing processes by understanding how the entire space of engineering inputs affects thermal state. It often is used to explore combinations of capabilities uncommon in commercial software, or to scale up analyses beyond the capabilities of commercial software.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

A Compact Monolithic Electro-Optic Package for Quantum Microwave-to-Optical Transduction

We present a novel quantum transduction package that integrates a macroscopic electro-optic crystal into a compact, monolithic assembly designed for superconducting quantum processors. The device provides an efficient and scalable interface between microwave and optical domains while preserving cryogenic compatibility. We performed full-wave and quantum dynamical simulations to assess the performance of the hybrid system, focusing on the interaction between a transmon-based microwave cavity and the crystal’s and cavity low-frequency microwave mode. The transmon operates both as an ancilla for the QPU and as a nonlinear element enabling four-wave mixing between cavity and electro-optic crystal microwave fields. Our results indicate that this architecture can coherently mediate quantum information transfer from the cavity to the electro-optic mode, offering a promising platform for on-chip quantum transduction within superconducting quantum networks.

Reineri, Alessandro [Fermilab] (ORCID:000000016175↗

DOE OSTI2026

A Compact Monolithic Electro-Optic Package for Quantum Microwave-to-Optical Transduction

Reineri, Alessandro [Fermilab] (ORCID:000000016175↗

DOE OSTI2020

Advanced Power Electronics Designs - Reliability and Prognostics (Keystone Project 1)

The primary deliverable for this project will be to construct a power electronics package utilizing an organic electrically insulating substrate material with a direct chip-to-chip interconnect technology and demonstrate superior thermal performance and greater reliability under thermal cycling, thermal aging, vibration, power cycling, and electrical high-potential evaluation over traditional packages.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

Community-Scale Energy Efficiency Assessment for Zero Net Energy Using the URBANopt Simulation Platform: Preprint

This project explored an innovative modeling approach for assessing the energy efficiency potential of the existing low-income Oceano neighborhood, in unincorporated San Luis Obispo County, and its effects on renewable generation requirements for achieving zero net energy (ZNE). One particular challenge faced was ascertaining the technical energy savings potential across a large neighborhood in a timely manner. The project overcame this challenge through the use of the URBANopt simulation platform, developed at the National Renewable Energy Laboratory. URBANopt manages the automated model creation, simulation, and result aggregation for different design scenarios of existing or candidate buildings in a large neighborhood. Customized energy efficiency packages considered for the residential and commercial sector in the neighborhood included lighting, HVAC, plug load, water heating, envelope, and energy education measures. As a result of the analysis for the Oceano community, energy efficiency measures that are available through incentive programs may provide a 7.4% reduction in the required distributed energy resource (DER) size, corresponding to a 25,000 ft2 decrease in PV array area, to achieve ZNE. Through this work, a computational tool was developed and is being leveraged by the County of San Luis Obispo (CoSLO). The tool has enabled the CoSLO staff to perform similar analysis of the technical potential for energy efficiency, and an understanding of the DER asset requirements and potential savings in other communities within the county.

building energy modeling↗

DOE OSTI2022

Advanced Power Electronics Designs - Reliability and Prognostics (Keystone Project 1)

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

Advanced Power Electronics Designs - Reliability and Prognostics (Keystone Project 1)

ADVANCED PROPULSION SYSTEMS,ENGINEERING↗

DOE OSTI2020

Development of a Versatile, Full-featured Search Functionality for Indico

Indico, CERN’s popular open-source tool for event management, is in widespread use among facilities that make up the HEP community. It is extensible through a robust plugin architecture that provides features such as search and video conferencing integration. In 2018, Indico version 2 was released with many notable improvements, but without a full-featured search functionality that could be implemented easily outside of CERN. At both Fermi and Brookhaven National Laboratories, the user community viewed the lack of this popular feature as a significant impediment to deployment of the new software. In the meantime, CERN embarked upon a major redesign of their core search service, one that would also necessitate a rewrite of the Indico search interface. Seeing this pressing need, the two US labs decided to collaborate, with assistance from the CERN development team, on a project to develop the requisite search functionality for the larger user community. The resulting design exploits the simplified schema defined in the new CERN Search micro-service, based on Invenio and Elasticsearch, while still providing a flexible path to implementation for alternative backend search services. It is intended to provide a software package that can be installed easily and used out of the box, by anyone at any site. This paper will discuss the design choices and architectural challenges, and provide an overview of the deployment and use of these new plugins.

Constanta, Penelope↗

DOE OSTI2026

Data & Code from Phoenix CPPP Phase 2 Analysis

This data and code package supports the analysis presented in “Beyond Surface Cooling: Comprehensive Field Assessment of Reflective Pavement Thermal Performance in Phoenix, Arizona” and provides fully reproducible workflows for evaluating the thermal performance of cool pavement treatments in a hot urban environment. The dataset integrates multi-modal field measurements collected across residential and nonresidential settings, including mobile air temperature traverses, stationary air temperature monitoring, residential mean radiant temperature (MRT) measurements, subsurface temperature profiles, and controlled testbed observations. The data package contains raw and processed datasets in comma-separated value (CSV) format, accompanying metadata files describing site characteristics and measurement protocols, and R scripts (.R files) used for data cleaning, time synchronization, spatial and temporal matching, quality control filtering, statistical comparison, and figure generation. All analyses were conducted using R (version ≥ 4.2.0) with commonly available packages (e.g., tidyverse, lubridate, data.table, ggplot2). No proprietary software is required to reproduce results. Field campaigns were designed to quantify the effects of high-reflectance pavement coatings on surface temperature, near-surface air temperature, subsurface heat propagation, and radiative heat exposure. Temporal alignment procedures include standardized timestamp conversion and nearest-neighbor matching of high-frequency sensor measurements to stop-based metadata within defined tolerance windows to ensure comparability across instruments. The workflows generate summary statistics, treatment–control contrasts, depth-dependent thermal gradients, and time-series visualizations used in the associated publication. By integrating mobile, stationary, radiative, and subsurface measurements within a unified and transparent processing framework, this package enables comprehensive evaluation of cool pavement performance across multiple thermal exposure pathways and supports reuse in future urban heat mitigation and climate resilience studies.

AIR TEMPERATURE↗

DOE OSTI2026

Power Electronics Module with Integrated Ceramic Heat Exchanger

NREL, in partnership with Synteris and Packet Digital, has developed a 3D-printable ceramic package for power electronic modules to improve their thermal management, power density, performance, and lifetime. Existing power modules contain flat ceramic substrates that serve as both the electrically insulating component and thermal conductor that transfer the large heat outputs of these devices. The team has developed an additive manufacturing process that replaces the traditional insulating metalized substrate, substrate attach, and baseplate/heat exchanger with an additively-manufactured ceramic packaging that acts as both an electrical insulator and heat exchanger for better thermal management. The design, manufacturability, and function of this power module will be discussed.

25 ENERGY STORAGE↗

DOE OSTI2020

Reduction of the Waste Occupied Area by Nuclide Separation and Horizontal Emplacement of the Waste Packages - 20422

Two of the key objectives for realizing the advanced nuclear fuel cycle are to reduce the volume of high-level radioactive waste and to reduce the foot-print of the geological repository. To achieve these objectives, research and development on nuclide separation technologies is a prerequisite. In this context, it is necessary to consider the vitrification conditions and the design of the geological repository where separation technologies would be implemented to achieve effective reductions in the volume of vitrified waste and the foot-print of the geological repository. In this study, the effects of the vitrification conditions on the number of vitrified waste units and the disposal area were evaluated, based on the assumption that separation of Cs and Sr from the spent nuclear fuel had been performed. In addition, with reference to the design of the geological repository, the impact on the foot-print of the repository for different emplacement methods of the waste packages was examined. As a result, it was clarified that the waste-occupied area could be reduced by horizontal emplacement of the vitrified waste with low heat generation. In addition, it was demonstrated that a low waste-loaded vitrified waste contributed to a reduction in the foot-print of the geological repository in the case of horizontal emplacement, although the number of vitrified waste units increased. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

ChemML : A machine learning and informatics program package for the analysis, mining, and modeling of chemical and materials data

ChemML is an open machine learning (ML) and informatics program suite that is designed to support and advance the data-driven research paradigm that is currently emerging in the chemical and materials domain. ChemML allows its users to perform various data science tasks and execute ML workflows that are adapted specifically for the chemical and materials context. Key features are automation, general-purpose utility, versatility, and user-friendliness in order to make the application of modern data science a viable and widely accessible proposition in the broader chemistry and materials community. Finally, ChemML is also designed to facilitate methodological innovation, and it is one of the cornerstones of the software ecosystem for data-driven in silico research.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Systems Packages for Washington State Building Performance Standard Incentive Program: Phase 1 Analysis

Starting in 2026 Washington State building performance standards will come into effect that require commercial buildings larger than 50,000 sf to meet site energy use intensity targets. To support a state incentive program designed to encourage building owners to start complying early, we characterized the building stock energy use of 11 building types, analyzed 43 energy upgrade measures, and developed seven packages of energy upgrade measures using the ComStock energy analysis tool. Each energy upgrade package included from 4 to 17 energy measures consisting of lighting, HVAC, and envelope upgrades. Package savings were calculated for four priority building types using a sample of 35,000 buildings characterized by four building area bins, three climate zones, and two county types (urban and rural). Of the 28 package and building type combinations analyzed, 17 (61%) met or exceeded program energy savings targets and two packages met targets for all four building types.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Automated Integration of Continental-Scale Observations in Near-Real Time for Simulation and Analysis of Biosphere–Atmosphere Interactions

The National Ecological Observatory Network (NEON) is a continental-scale observatory with sites across the US collecting standardized ecological observations that will operate for multiple decades. To maximize the utility of NEON data, we envision edge computing systems that gather, calibrate, aggregate, and ingest measurements in an integrated fashion. Edge systems will employ machine learning methods to cross-calibrate, gap-fill and provision data in near-real time to the NEON Data Portal and to High Performance Computing (HPC) systems, running ensembles of Earth system models (ESMs) that assimilate the data. For the first time gridded EC data products and response functions promise to offset pervasive observational biases through evaluating, benchmarking, optimizing parameters, and training new machine learning parameterizations within ESMs all at the same model-grid scale. Leveraging open-source software for EC data analysis, we are already building software infrastructure for integration of near-real time data streams into the International Land Model Benchmarking (ILAMB) package for use by the wider research community. We will present a perspective on the design and integration of end-to-end infrastructure for data acquisition, edge computing, HPC simulation, analysis, and validation, where Artificial Intelligence (AI) approaches are used throughout the distributed workflow to improve accuracy and computational performance.

Durden, David J.↗

DOE OSTI2026

Design optimization of MAPS-based detectors using a data-driven fast simulation approach

A parametric simulation tool for pixel sensors is presented. A realistic pixel response is simulated purely based on measurement input, without requiring detailed knowledge of the underlying manufacturing process. As such, it provides an efficient alternative to the use of Technology Computer-Aided Design simulations, which typically depend on proprietary process information. Due to its parametric approach, the package is fast and thus particularly useful for larger detector systems and high hit rate environments. This work presents measurements, simulation and its validation for the MALTA2 sensor. It is a small collection electrode monolithic active pixel sensor produced in the Tower 180 nm complementary metal-oxide-semiconductor imaging process. Modifications to the sensor’s periphery, mainly in the hit merger, are studied in order to optimize the performance for tracking and calorimetry. This optimization is of special interest as part of the MALTA3 sensor redesign in the 65 nm Tower Partners Semiconductor Co. process.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Coupling Subsurface and Above-Surface Models for Optimizing the Design of Borefields and District Heating and Cooling Systems

Accurate dynamic energy simulation is important for the design and sizing of district heating and cooling systems with geothermal heat exchange for seasonal energy storage. Current modeling approaches in building and district energy simulation tools typically consider heat conduction through the ground between boreholes without flowing groundwater. While detailed simulation tools for subsurface heat and mass transfer exist, these fall short in simulating above-surface energy systems. To support the design and operation of such systems, the study developed a coupled model including a software package for building and district energy simulation, and software for detailed heat and mass transfer in the subsurface. For the first, it uses the open-source Modelica Buildings Library, which includes dynamic simulation models for building and district energy and control systems. For the heat and mass transfer in the soil, it uses the TOUGH simulator. The TOUGH family of codes can model heat and multi-phase, multi-component mass transport for a variety of fluid systems, as well as chemical reactions, in fractured porous media. The study validated the coupled modeling approach by comparing the simulation results with one from the g-function based ground response model. It then looked into effects when the water table and the regional groundwater flow are considered in the ground, from the perspective of heat exchange between borehole and ground, and the electrical consumption of the district heating and cooling systems. To access the simulation models, please find the links in the submission: -- For coupled approach validation: see model Buildings.Fluid.Geothermal.Borefields.Examples.BorefieldsWithTough and Buildings.Examples.DistrictReservoirNetworks.Examples.Reservoir3Variable_TOUGH from the "Modelica Building Library" resource, branch issue1495_tough_interface, commit a2667c0. -- For the study of the effect of water table: see model Buildings.Examples.DistrictReservoirNetworks.Examples.Reservoir3Variable_TOUGH from he "Modelica Building Library" resource, branch issue1495_tough_interface_moreIO, commit 760de49. -- For the study of the effect of regional groundwater flow: see Buildings.Examples.DistrictReservoirNetworks.Examples.Reservoir3Variable_TOUGH from he "Modelica Building Library" resource, branch issue1495_tough_interface_moreIO_3D, commit c2a2d2a. The coupling interface script "GrounResponse.py" can be found from the above links in the folder Buildings/Resources/Python-Sources. Also, the needed files for TOUGH simulation are in the folder Buildings/Resources/Python-Sources/ToughFiles that can be accessed through the above links. A brief description of these files is given below; detailed specifications for the first three files may be found in the TOUGH3 Users Guide (Jung et al., 2018) https://tough.lbl.gov/documentation/tough-manuals/. (1) INCON - initial conditions for each grid block (2) INFILE - main input file with material properties and control parameters (3) MESH - description of the computational grid (4) readsave - Modelica/TOUGH interface program: read the final output of TOUGH simulation after TOUGH time step and prepare for transfer to Modelica for next Modelica time step (5) readsave.inp - input parameters for program readsave (6) writeincon - Modelica/TOUGH interface program: write the output of Modelica after Modelica time step and prepare for transfer to TOUGH as initial conditions for the next TOUGH step (7) writeincon.inp - input parameters for program writeincon

15 GEOTHERMAL ENERGY↗

DOE OSTI2020

Double Quarter Wave Crab Cavity Wire Stretching Measurement at BNL

The Double Quarter Wave (DQW) crab cavity is one out of the two crab cavities within Work Package 4 of the LHC (Large Hadron Collider) Hi-Lumi Program, and the RF design of the cavity was originally supported by the US LHC Accelerator Research Program (LARP) and later the LHC Accelerator Upgrade Program (AUP) funded by the DOE High Energy Physics Office in the Office of Science. Brookhaven National Laboratory (BNL) has delivered the successful DQW crab cavity RF design, and worked actively with all. The wire stretching measurement was completed on the prototype DQW crab cavity for operation practice and calibration of the measurement system. Four locations were defined to be on the electrical center plane of the crab cavity, and survey of the wire indicated all are on the same plane. The successful measurement validated the wire stretching system built at Brookhaven National Lab. The offset of the four wire locations to the fitted plane provided the error of the measurement.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Report on the "Symposium on Advancements in Simulating Neutron Scattering Instruments and Experiments"

An international group of researchers gathered for the “Symposium on Advancements in Simulating Neutron Scattering Instruments and Experiments” at Oak Ridge National Laboratory (ORNL) on October 29- 30, 2024. The symposium highlighted state-of-the-art advancements in neutron scattering instrument simulations and the development of digital twins for scattering instruments. This document summarizes the recurring themes from the 19 talks and discussions. A key focus was on the role of neutronics simulations in the design, analysis, and performance optimization of neutron instruments. Presentations featured the most widely used software packages, such as McStas, McVine, Vitess, and MCNP. Another major theme addressed the analysis and interpretation of experimental neutron data, where materials models and simulations play a critical role. Talks on relevant software tools, including NCrystal, OCLimax, and Paradyse, were delivered by their respective developers. During the symposium, both talks and breakout sessions explored strategies to enhance the interplay between neutronics simulations and materials models. A key question emerged: How can we develop a RealTime Explainable Digital Twin of a neutron scattering experiment? Discussions include the idea that the Digital Twin concept has implications for instrument control and testing. Through this symposium, we gained valuable insights into the challenges and requirements for developing a Real-Time Explainable Digital Twin of a neutron scattering experiment. The discussions and presentations paved the way for future innovations in this rapidly advancing field.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗