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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 235 records · Page 13

SCEPTRE 2.2 Quick Start Guide

This report provides a summary of notes for building and running the Sandia Computational Engine for Particle Transport for Radiation Effects (SCEPTRE) code. SCEPTRE is a general- purpose C++ code for solving the li near Boltzmann transport equation in serial or parallel using unstructured spatial finite elements, multigroup energy treatment, and a variety of angular treatments including discrete ordinates and spherical harmonics. Either the first-order form of the Boltzmann equation or one of the second-order forms may be solved. SCEPTRE requires a small number of open-source Third Part y Libraries (TPL) to be available, and example scripts for building these TPLs are provided. The TPLs needed by SCEPTRE are Trilinos, boost, and netcdf. SCEPTRE uses an autotools build system , and a sample configure script is provided. Running the SCEPTRE code requires that the user provide a spatial finite-elements mesh in Exodus format and a cross section library in a format that will be described. SCEPTRE uses an xml-based input, and several examples will be provided.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

SCEPTRE 2.3 Quick Start Guide

This report provides a summary of notes for building and running the Sandia Computational Engine for Particle Transport for Radiation Effects (SCEPTRE) code. SCEPTRE is a general- purpose C++ code for solving the linear Boltzmann transport equation in serial or parallel using unstructured spatial finite elements, multigroup energy treatment, and a variety of angular treatments including discrete ordinates (Sn) and spherical harmonics (Pn). Either the first-order form of the Boltzmann equation or one of the second-order forms may be solved. SCEPTRE requires a small number of open-source Third Party Libraries (TPL) to be available, and example scripts for building these TPL are provided. The TPL needed by SCEPTRE are Trilinos, Boost, and Netcdf. SCEPTRE uses an autotools build system, and a sample configure script is provided. Running the SCEPTRE code requires that the user provide a spatial finite-elements mesh in Exodus format and a cross section library in a format that will be described. SCEPTRE uses an xml-based input, and several examples will be provided.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Release of NDI 2.2.0beta

The Nuclear Data Interface 2.2.0beta has been released. Compared to NDI 2.2.0alpha, it provides minor changes to the build system and fixes problems with the binary and dedx tests.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

WAVES [Slides]

WAVES (LANL code C23004) is a computational engineering workflow tool that integrates parametric studies with traditional software build systems.

42 ENGINEERING↗

NEAMS Technical Area Support in MOOSE

The MOOSE framework is a foundational capability used by the NEAMS program to create over 15 different simulation tools for advanced nuclear reactors. Due to this ubiquity, improvements to the framework in support of modeling and simulation goals are critical to the program. These improvements can take many forms including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and other new capabilities. The work transcribed in this report was conducted in direct support of the simulation tools and has already been deployed. The capabilities outlined in this report include enabling selective polynomial basis refinement, implementing a custom convergence system, building a scalable preconditioner for saddle-point problems, and much more.

97 MATHEMATICS AND COMPUTING↗

Multi-package development at Fermilab with Spack

The Spack package manager has been widely adopted in the supercomputing community as a means of providing consistently built on-demand software for the platform of interest. Members of the high-energy and nuclear physics (HENP) community, in turn, have recognized Spack’s strengths, used it for their own projects, and even become active Spack developers to better support HENP needs. Code development in a Spack context, however, can be challenging as the provision of external software via Spack must integrate with the developed packages’ build systems. Spack’s own development features can be used for this task, but they tend to be inefficient and cumbersome. We present a solution pursued at Fermilab called MPD (multi-package development). MPD aims to facilitate the development of multiple Spack-based packages in concert without the overhead of Spack’s own development facilities. In addition, MPD allows physicists to create multiple development projects with an interface that insulates users from the many commands required to use Spack well.

Knoepfel, Kyle James [Fermilab]↗

The Aerosol Model Benchmarking Repository: A toolkit for model intercomparison

The Aerosol Model Benchmarking Repository and Standards (AMBRS) project was initiated to provide tools and to establish community standards for benchmarking aerosol models. This report describes a set of open-source tools for building, running, and analyzing aerosol box model simulations in a standardized framework. The framework consists of three core components: AMBuilder, a CMake-based build system that compiles supported models consistently; AMBRS, a Python module that defines unified numerical experiments and executes them with aligned inputs; and PyParticle, an aerosol analysis package that standardizes output, computes diagnostics, and visualizes simulation results. Together, these tools enable reproducible intercomparison of aerosol schemes and support process-level evaluation of how model simplifications affect predictions of size distributions, cloud condensation nuclei activity, and other relevant properties relevant for the Earth-Energy system. Beyond its role in benchmarking, AMBRS provides a platform for studying aerosol processes across scales and can be used to generate training data for AI/ML applications in support of a broader hierarchical aerosol modeling strategy.

54 ENVIRONMENTAL SCIENCES↗

Shaping the FutureWorkforce: Challenges and Lessons Learned in HPC Education from National Labs and Computing Centers

Workforce training at national laboratories and computing centers is essential and typically falls into two categories: foundational training for newcomers and advanced training for experienced users. Foundational topics—such as version control, build systems, and basic HPC usage—are largely transferable across institutions, while cluster-specific training varies due to differences in hardware, job schedulers, and local workflows. Training on emerging technologies is split between hardware-specific content and broadly applicable programming paradigms. Here, to reduce redundancy and increase impact, national labs, computing centers, and vendors are collaborating through initiatives like the HPC Training Working Group to share best practices, co-develop materials, and broaden outreach. These coordinated efforts aim to make HPC training more accessible, scalable, and consistent across the community.

HPC↗

GASNet-EX Specification Collection (Rev. 2024.5.0)

GASNet-EX is a portable, open-source, high-performance communication library designed to efficiently support the networking requirements of PGAS runtime systems and other alternative models in emerging exascale systems. It provides network-independent, high-performance communication primitives including Remote Memory Access (RMA) and Active Messages (AM). GASNet-EX is an evolution of the popular GASNet communication system, building upon over 20 years of lessons learned, and the primary goals are high performance, interface portability, and expressiveness. The library has been used to implement parallel programming models and libraries such as UPC, UPC++, Fortran coarrays, Legion, Chapel, and many others. This anthology collects together the four separate volumes that currently comprise the GASNet-EX specification, as of the 2024.5.0 release of GASNet-EX.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

A Review of the Use of Wearables in Indoor Environmental Quality Studies and an Evaluation of Data Accessibility from a Wearable Device

An understanding of indoor environmental quality (IEQ) and its effects on occupant well-being can inform building system design and operation. The use of wearables in field studies to collect subjective and objective health performance indicators (HPIs) from a large number of occupants could deliver important improvements in IEQ. To facilitate the use of wearables in IEQ studies, there is a need to identify which HPIs should be collected and to evaluate data accessibility from these devices. To address this issue, a literature review of previous IEQ studies was conducted to identify relationships between different IEQ factors and HPIs, with a focus on HPIs that were collected using wearables. A preliminary assessment of data accessibility from a selected wearable device (Fitbit Versa 2) was performed and documented. The review suggested the need to further investigate and collect sleep quality parameters, heart rate, stress response, as well as subjective ratings of comfort using wearables. The data accessibility assessment revealed issues related to missing data points and data resolution from the examined device. A set of recommendations is outlined to inform future studies.

60 APPLIED LIFE SCIENCES↗

Review of Low-Cost Organic and Inorganic Phase Change Materials with Phase Change Temperature between 0°C and 65°C

Phase change materials (PCMs) that undergo a phase transition may be used to provide a nearly isothermal latent heat storage at the phase change temperature. This work reports the energy storage material cost ($/kWh) of various PCMs with phase change between 0-65°C. Four PCM classes are analyzed for their potential use in building systems: 1) inorganic salt hydrates, 2) organic fatty acids, 3) organic fatty alcohols, and 4) organic paraffin waxes. Many salt hydrates have low material costs (0.09 - 2.53 $-kg-1), high latent heat of fusion (100-290 J-g-1), and high densities (1.3-2.6 g-cm-3), leading to favorable volumetric storage density and low energy storage costs, 50-130 kWh-m3 and 0.90-40 $-kWh-1, respectively. Some salts are notably more expensive due to their scarcity or pressures from competing industries such as lithium-based salts. Fatty acids have the lowest energy storage cost in the temperature range 8-17°C at 6.50 – 40 $-kWh-1. Despite favorable latent heat (125 – 250 J-g-1) their low density gives (0.9 g-cm3) gives poor volumetric storage capacity, 32 – 80 kWh-m3. Fatty alcohols generally have high material costs 2.50 – 200 $-kg-1 which leads to high energy storage costs, 40-3000 $/kWh. With latent heat and density similar to fatty acids, fatty alcohols have poor volumetric energy storage, 43 – 55 kWh-m-3.Paraffin waxes containing only a single length carbon chain have a higher energy cost (15 – 500 $-kWh-1) than generic paraffin waxes containing many lengths of carbon chains (7 – 30 $-kWh-1). Pure waxes have a discrete phase change temperature due to their homogeneity. In contrast, a less refined generic wax with several carbon chain lengths is more likely to have a pronounced temperature glide during its phase change. Pure single carbon chain waxes are generally required for applications <45°C as generic paraffin waxes melt between 45-70°C. For many waxes, a solid-solid transition occurs at temperatures below the solid-liquid phase change. For pure paraffins with carbon content ≥22 C atoms, these transitions may appear near the same temperature resembling a temperature glide.The challenges with fatty acids, fatty alcohols, and waxes are low thermal conductivity, low density, some flammability concerns, and compatibility issues with some common engineering materials such as polymers. Challenges with salt hydrates are pronounced supercooling (>5°C), incongruent melting, and corrosiveness. All PCMs may degrade if exposed to ambient conditions and therefore require proper sealing.

Hirschey, Jason↗

Low power and privacy preserving sensor platform for occupancy detection

A low-cost, low-power, stand-alone sensor platform having a visible-range camera sensor, a thermopile array, a microphone, a motion sensor, and a microprocessor that is configured to perform occupancy detection and counting while preserving the privacy of occupants. The platform is programmed to extract shape/texture from images in spatial domain; motion from video in time domain; and audio features in frequency domain. Embedded binarized neural networks are used for efficient object of interest detection. The platform is also programmed with advanced fusion algorithms for multiple sensor modalities addressing dependent sensor observations. The platform may be deployed for (i) residential use in detecting occupants for autonomously controlling building systems, such as HVAC and lighting systems, to provide energy savings, (ii) security and surveillance, such as to detect loitering and surveil places of interest, (iii) analyzing customer behavior and flows, (iv) identifying high performing stores by retailers.

Velipasalar, Senem↗

The Demonstration of Power over Ethernet (PoE) Technologies in Commercial and Institutional Buildings

PoE technologies are currently ubiquitous in offices in the form of phones, access points, and IP security cameras and managed by on-site IT staff. As low voltage DC-power capabilities have increased with network switches, PoE devices are now being integrated across additional building systems, including lighting, computers, and HVAC controls. Since PoE devices are connected to network switches, energy monitoring and management can be performed through the IT network management software. Data and results from technology validations are still very limited for PoE equipment. This lack of information hinders higher adoption as its benefits and challenges have been insufficiently quantified in real-world scenarios. The use of IT network switches to power and control lighting, plug loads, and HVAC were demonstrated at a variety of sites including offices, schools, and a hotel. This paper presents the findings of a three-year DOE-/State of Minnesota-funded project that demonstrated and assessed the energy and non-energy benefits of Power over Ethernet (PoE) technologies at four commercial/institutional sites. The goals of the demonstrations were to: (1) assess the receptiveness of commercial and institutional markets to these new technologies, (2) demonstrate the feasibility of PoE technologies within standard design/construction practices and commercial codes, (3) assess the energy and cost savings opportunities of these technologies, (4) provide energy management opportunities where they typically are not available, and (5) formulate approaches to spur adoption of these technologies in the marketplace.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Calcined Polyethyleneimine Coated Optical Fibers for Distributed pH Monitoring at High Pressures and Temperatures

In the oil and gas, CO2 sequestration, H2 subsurface storage, and geothermal energy sectors, subsurface pH measurements are critical for monitoring the geochemical conditions and estimating potential corrosion rates of wellbore systems. Real-time pH measurements in these conditions are vital for detecting and predicting corrosion deterioration of wellbore components that may jeopardize the safety and continued operation of wellbore systems. Building off of earlier TiO2 based pH sensors and the known pH sensitivity of amine-based polymers, a coating based on the secondary amine polymer polyethyleneimine (PEI) was developed. The sensor coating was treated with a high temperature (500 °C) calcination procedure in air to convert it into a more stable oxidized coating capable of withstanding hot aqueous solutions without dissolving while retaining linear pH sensitivity from pH values between 2 and 11. The sensor performance was measured using optical transmission measurements in solutions of various pHs and using optical backscatter reflectometry for distributed pH sensing demonstration in wellbore-relevant pressures (up to 1000 psi) and temperatures (80 °C). A calibration curve with strong differentiation between acidic and alkaline pH was developed for both transmission-based and distributed pH measurements, using fixed wavelength transmission and integrated linear amplitude of backscattered light for distributed measurements.

Shumski, Alexander↗

Appliance level battery-based energy storage

A powered building system that includes an electric power distribution system configured to distribute electrical power to a plurality of receptacles; one or more load sources; and one or more battery systems associated with: a respective receptacle of the plurality of receptacles and a respective load source of the one or more load sources.

Griffith, Saul Thomas↗

Multi-package development at Fermilab with Spack

The Spack package manager has been widely adopted in the supercomputing community as a means of providing consistently-built on-demand software for the platform of interest. Members of the high-energy and nuclear physics (HENP) community, in turn, have recognized Spack’s strengths, used it for their own projects, and even become active Spack developers to better support HENP needs. Code development in a Spack context, however, can be challenging as the provision of external software via Spack must integrate with the developed packages’ build systems. Spack’s own development features can be used for this task, but they tend to be inefficient and cumbersome. \medskip We present a solution pursued at Fermilab called MPD (multi-package development). MPD aims to facilitate the development of multiple Spack-based packages in concert without the overhead of Spack’s own development facilities. In addition, MPD allows physicists to create multiple development projects with an interface that insulates users from the many commands required to use Spack well.

Knoepfel, Kyle [Fermilab] (ORCID:000000031433889X)↗

STRATOS: A cyber-energy SAAS platform to manage real-time experiment configuration and deployment [SWR-23-16]

STRATOS is a novel management SAAS platform for achieving multi-environment, multi-tenant real-time cyber-energy experimentation. The platform empowers users to configure a wide variety of experiment environments by automating the initialization process and providing a framework for building system configurations. During run-time the platform ensures resources are allocated appropriately and the environment remains stable until the required cyber-energy events have occurred. This capability to manage this complex process in a single user-focused application significantly reduces difficulty and setup time for performing high-impact cyber-energy research.

Van Natta, Joshua↗

Platform for Remote Deployment and Training for Enhanced Building Operation Practices (Building Re-Tuning and On-going Commissioning)

While a building’s energy usage is driven largely by its design and use, building operator behavior has a strong influence on its energy consumption. This project developed and piloted a specific, data-driven coaching methodology to help operators understand how they can adjust operations and/or affect no/low-cost repairs or upgrades to their specific building HVAC systems to reduce energy consumption. Named BuildingCoach, the operational optimization method used is based on the Building Re-tuning approach developed by the Pacific Northwest National Laboratory. A building operations analytics market has matured over the past decade, though its potential to affect energy-saving changes has not been fully realized. Training operators to understand the methods for operational optimization with the explicit approach of using building-system performance data is hypothesized to create a more effective, longer lasting result in building energy efficiency, and this strategy is the fundamental premise of this project. With the support of an Industry Advisory Board, the project succeeded in developing materials and recruiting for and delivering three pilot cohorts. Deliverables included twenty-two self-paced training modules (accessed via a Learning Management System) and a web-based platform that includes access to real-time building system data and a repository for building system documentation. The project set out to have 100 participants from 50 buildings in three pilot cohorts. In the end, there were 28 participants from 17 buildings, i.e., a significant shortfall. The first two pilot cohorts had only two buildings in each, and this was partially due to difficulties in deploying the Building Operator Coaching Solution (“the BOCS”), which is technology that extracts the data from the controls network and presents it as prescribed for coaching. In the third cohort, the project team deployed the BOCS successfully to 13 buildings, the methodology was piloted as intended, and numerous opportunities for optimization were identified. The BuildingCoach business plan charts a path to an economically sustainable effort. However, even with a licensing model captured in the final version of the business plan, the scalability is still limited to keeping less than 1,000 buildings affected by 2033. Even so, there are unexplored paths to greater scalability that are being considered. CUNY BPL is working to perpetuate and grow the use of BuildingCoach. As of this writing, about twenty buildings have either been connected or will be connected with operators coached / to be coached in the NYC municipal portfolio, twelve buildings across four campuses in NY State will use BuildingCoach, a NY upstate county wishes for six or seven buildings to participate with the support of funding from NYSERDA, and others have also expressed interest. In the decades to come, there will be an increasing percentage of large and mid-sized buildings that incorporate automated system optimization (ASO), and the building operators’ role will shift to spend more time on maintenance and monitoring. Meanwhile, programs such as BuildingCoach will play a critical role in optimizing operations. And, regardless of the emergence of ASO, operators will still need to understand how their systems operate so that they can monitor them properly. Within that context, BuildingCoach is an important step towards operators’ understanding of efficient building system operations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗