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ElementLIBS User's Guide: An operational aid for use and development

Laser-Induced Breakdown Spectroscopy or LIBS is a rapid, in-situ analytical technique where a laser of known energy is pulsed at the surface of an analyte. The laser pulse rapidly heats a localized area to many thousand degrees Kelvin, ablating part of the analyte and turning it into a plasma. As the plasma cools, excited atoms return to a ground state with known emission energies. This emitted energy is captured by various spectrometers and provides a spectrum of the emitted energies and intensities. This spectrum can be analyzed to provide the elemental composition of a sample by using known emission lines and relative abundance. ElementLIBS was developed for the SciAps hand-held LIBS model Z300 but will work with any model that provides a LIBS spectrum of similar resolution. The Z300 has an integrated resolution of 1/30 nm with a range of approximately 180nm – 960nm, providing an output spectrum of 23431 pixels across three spectrometers. These criteria are only provided as a reference, as the software was designed to work with any size spectrum, provided the input file is of the correct format and the models were developed using the same framework. If spectra of varying dimensions are used, the software will fail without warning and unusual events could occur.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Beginner's Guide to Power and Energy Measurement and Estimation for Computing and Machine Learning

Concerns about the environmental footprint of machine learning are increasing. While studies of energy use and emissions of ML models are a growing subfield, most ML researchers and developers still do not incorporate energy measurement as part of their work practices. While measuring energy is a crucial step towards reducing carbon footprint, it is also not straightforward. This paper introduces the main considerations necessary for making sound use of energy measurement tools and interpreting energy estimates, including the use of at-the-wall versus on-device measurements, sampling strategies and best practices, common sources of error, and proxy measures. It also contains practical tips and real-world scenarios that illustrate how these considerations come into play. It concludes with a call to action for improving the state of the art of measurement methods and standards for facilitating robust comparisons between diverse hardware and software environments.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

MatCal Users Guide: Release 1.3.0

Any continuum mechanics model will require three components: (1) a discretized geometry of the boundary value problem being studied, (2) the partial differential equations to be solved, and (3) the initial conditions and boundary conditions for the problem. To describe material behavior in these computational models, material models contribute to (2) the underlying equations and, occasionally, to (3) the initial conditions for the simulation. These material models can exhibit a mathematical form that is empirically based, based on first principles, or developed from both empirical observations and known physics. In general, these models are meant to represent a class of materials with well understood behavior. As a result, material models have parameters that must be tuned or calibrated so that the model response matches characterization data available for the specific material it is intended to represent when used to simulate a specific system. For simple models, such as isotropic, linear elastic materials in solid mechanics, this calibration process can be a simple analytical calculation directly extracting the parameters from experimental measurements. For complex models that have many inputs and require many characterization datasets to adequately identify the material behavior, the model calibration process can require an inverse problem approach where an optimization is performed to tune the model parameters to the available data.

36 MATERIALS SCIENCE↗

FECM/NETL Offshore CO 2 Saline Storage Cost Model Version 1 – QuickStart Guide

The purpose of this QuickStart is to assist users in operating the Office of Fossil Energy and Carbon Management/National Energy Technology Laboratory (FECM/NETL) Offshore Carbon Dioxide (CO2) Saline Storage Cost Model (CO2_S_COM_Offshore) Version 1. This manual outlines the major outputs, provides an overview of how the outputs are calculated, and provides a more detailed understanding of how a user can edit the inputs to affect outputs for the purpose of evaluating a storage project aimed for conducting operations in the Outer Continental Shelf (OCS) of the Gulf of America (GOA).

54 ENVIRONMENTAL SCIENCES↗

Sierra/SD – User’s Guide for NasGen (V.5.24)

NasGen provides a path for migration of structural models from Nastran bulk data format (BDF) into both an Exodus mesh file and an ASCII input file for Sierra Structural Dynamics (Salinas) and Solid Mechanics (Adagio). Many tools at Sandia National Labs (SNL) use the Exodus format. This document describes capabilities and limitations of the NasGen translation software.

97 MATHEMATICS AND COMPUTING↗

Open World Dempster-Shafer Theory/The Transferable Belief Model with Intervals: A Practitioner's Guide to DST and TBM

Dempster-Shafer theory (DST) is a mathematical framework that allows for uncertainty or ignorance to be quantified and included when making predictions from evidence. This is in contrast to Bayesian theory, which does not allow for any quantification of ignorance. The framework is described in great detail in [7]. DST is particularly useful for problems where the inclusion of additional evidence (for example, data from another sensor) could lead to a different conclusion. Thus, it is a useful data fusion method, especially in applications not suited to maximum likelihood or maximum a posteriori estimations due to limited samples or incomplete prior knowledge.

97 MATHEMATICS AND COMPUTING↗

PARET/ANL v7.7 User Guide

PARET was originally created in 1969 at what is now Idaho National Laboratory (INL), to analyze reactivity insertion events in research and test reactor cores cooled by light or heavy water, with fuel composed of either plates or pins. The use of PARET is also appropriate for fuel assemblies with curved fuel plates when their radii of curvatures are large with respect to the fuel plate thickness. The PARET/ANL version of the code has been developed at Argonne National Laboratory (ANL) under the sponsorship of the U.S. Department of Energy/NNSA since the inception of the Reactor Conversion Program. Since Reduced Enrichment for Research and Test Reactors (RERTR) began in 1978, PARET/ANL has been benchmarked to experimental data including SPERT testing, and used to determine the expected transient behavior of many reactors both inside and outside the Reactor Conversion Program. This document provides the pertinent information for the use of PARET/ANL v7.7.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The QUIC Start Guide (V.6.4.9)

QUIC stands for the Quick Urban & Industrial Complex (QUIC) dispersion modeling system. QUIC is a fast response urban dispersion model that runs on a laptop. QUIC is comprised of a 3D wind field model called QUIC-URB, a transport and dispersion model called QUIC-PLUME, and graphical user interface called QUIC-GUI. QUIC also includes QUIC-PRESSURE to solve for pressure fields in and around buildings, a population exposure assessment tool called QUIC-POP, and an indoor infiltration calculator for computing indoor concentrations. Transport and dispersion for different types of airborne contaminants can be computed on building to neighborhood scales in tens of seconds to tens of minutes. QUIC will never give perfect answers, but it will account for the effects of buildings in an approximate way and provide more realism than non-building aware dispersion models.

97 MATHEMATICS AND COMPUTING↗

Micro-Mechanically Guided High-Throughput Alloy Design Exploration Towards Metastability-Induced H Embrittlement Resistance

We develop a high-throughput approach for studying H embrittlement (HE)-resistance in alloys, which is based on combinatorial compositional screening of metastability effects by in situ scanning electron microscopy H-analyses. The project objective included: (i) technique development of high-throughput screening (HTS) for HE-resistance, (ii) discovery of new metallic materials with superior HE-resistance, (iii) Multiscale verification of HE-resistance of the new alloys and H-barrier layers, from atomic scale to an engineering scale. The investigation focused on a model system that enables exploration of different metastable states in Fe-based complex-concentrated alloys. Composition spread islands with hundreds of varying compositions are fabricated on a single substrate using a combinatorial co-sputtering technique. To screen these alloys, we developed and employed a home-built SEM-based integrated analysis system capable of characterizing H-permeability, H-trapping, H-influence on mechanical properties, and other material properties, as well as atomistic to continuum simulations to study the underlying physics.

08 HYDROGEN↗

Incident Energy Systems Model: User Guide and Examples

U.S. Forest Service (USFS) wildfire base camps use portable power for electrical needs, including yurts and trailers from which logistics staff work during the incident. These yurts and trailers are conventionally powered by portable diesel generators. Hybrid portable power systems consisting of a combination of solar photovoltaics (PV), battery energy storage systems (BESS), and/or backup diesel generators have been used in recent years and were piloted by the National Technology and Development Program (NTDP) on incidents in fall 2024 as part of NTDP's Portable Power Project. As part of that project, this work included the development of two Excel-based tools and two reports explaining the tools. The first tool, the Incident Energy Systems Model, is an Excel-based tool that models the power output of hybrid portable power systems powering yurts and/or trailers at fire camps over a typical day.

14 SOLAR ENERGY↗

User Guide for BLADE_LC_processor.py

BLADE_LC_processor.py is an optional script within the BLADE (Bolide Light-curve Analysis and Discrimination Explorer) open-source software package. It converts per-event light curve CSVs plus a metadata table into maps, plots, a per-sample trajectory file, and an aggregate summary. It anchors each trajectory at peak brightness, assumes constant speed and entry angle across the event, and propagates altitude and ground track relative to that anchor. The script converts the input azimuth internally to a travel bearing for the map and trajectory. Outputs include event folders with figures and a consolidated CSV containing start, peak, and end altitudes and all original metadata, sorted newest to oldest. For further background, users are referred to the foundational publication: Silber, E. A., Sawal, V. (2025), “BLADE: An Automated Framework for Classifying Light Curves from the Center for Near-Earth Object Studies Fireball Database,” The Astronomical Journal, doi: 10.3847/1538-3881/adeb55.

97 MATHEMATICS AND COMPUTING↗

OpenCSP Step-by-Step: Getting Started Guide for Windows (V.1.0)

This document provides a step-by-step tutorial on how to set up OpenCSP for both users and developers. It is meant to support novice users and does not require software engineering experience. It is a detailed extension of the OpenCSP getting started on-line documentation, found here: https://opencsp.readthedocs.io/en/main/contributing.html#getting-started. For an overview of OpenCSP overall, see the OpenCSP website: https://opencsp.sandia.gov. For details on OpenCSP components and algorithm, see the references.

97 MATHEMATICS AND COMPUTING↗

Biofouling and Corrosion Study for a Novel Linear Guided Wave Energy Converter (Post Access Report)

The overall objective of this project was to examine the reliability and performance of antibiofouling coatings used for a wave energy converter (WEC) developed by E-Wave Technologies. The particular coatings were selected for their low toxicity and potential compatibility with aquaculture. The aim of this work was to 1) test coating solutions to prevent biofouling growth and saltwater corrosion on the static (paddle and attachment frame surface) components of the WEC that are submerged, 2) determine adhesion of the coatings to system components, and 3) assess the ease and effectiveness of biofouling cleaning to insure long term performance of the system. An analysis of commercial coatings was performed using methods to examine the prevention of biofouling and coating adhesion properties on two key materials of the WEC, which were 316L low carbon marine grade stainless steel (SS) and Ultra High Molecular Weight Polyethylene (PE). Three marine antifouling paints were selected based on their unique properties to test how different paint styles perform on different materials. The selected paints were ePaint Ecominder self-polishing paint with Zinc Omadine for slime control, Pettit ECO HRT Copper-Free ablative antifouling with Econea biocide, and Intersleek 1100SR foul release. Pacific Northwest National Laboratory (PNNL) prepared PE and SS substrates coated with the three paints and compared the performance against uncoated substrates when submerged in raw seawater for 3-, 6-, and 9-month (m) time periods. Results in adhesion testing indicated that Pettit and ePaint materials clearly bonded strongly to SS, but did not bond comparably well to PE. It was noted during adhesion testing that the Intersleek surfaces were especially difficult to test as the paint highly resists bonding to the epoxy adhesives used with the adherence testing platform. The wear rate of the coatings was not measured under this study; however, based on adhesion testing, coatings in the sliding regions of the Ewave device are expected to wear rapidly. Sandia National Laboratories (SNL) evaluated the adhesion of three different paints to PE and SS substrates which were exposed to a marine environment for time intervals of 0, 3, 6, and 9 months. From qualitative visual analysis of the 3 in2 coupons when pulled from the tank, the 3 in2 coupons generally only appeared to have biofouling consisting of filamentous algae or diatoms, which all have relatively low mass and can be easily wiped from the surface of coupons. Qualitative visual analysis indicated that ECO HRT and Unpainted were consistently worse than Intersleek and Ecominder at all time points. Results provide insight to aid with down-selection of commercial coatings under static conditions to support reliability of the WEC and potential maintenance schedules. This investigation was conducted using small coupon samples suspended in seawater and the development of testing rigs for dynamic component level testing is needed for future work. In addition, the potential toxicity of these commercial coatings on aquaculture has not been determined by this study. One recommendation is to conduct toxicity investigations at the Environmental Toxicity Laboratory at Oak Ridge National Laboratory.

16 TIDAL AND WAVE POWER↗