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DOE OSTI2023

2022 Annual Site Environmental Report for Sandia National Laboratories, Livermore, California

Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration. The National Nuclear Security Administration’s Sandia Field Office administers the contract and oversees contractor operations at Sandia National Laboratories, California. Activities at this multiprogram engineering and science laboratory support the nuclear weapons stockpile program, energy and environmental research, homeland security, micro- and nanotechnologies, and basic science and engineering research. The U.S. Department of Energy and its management and operating contractor are committed to safeguarding the environment, assessing sustainability practices, and ensuring the validity and accuracy of the monitoring data presented in this annual site environmental report. This report provides a summary of environmental monitoring information and compliance activities that occurred at Sandia National Laboratories, California during calendar year 2022 unless noted otherwise. General site and environmental program information is also included. This report was prepared in accordance with DOE O 231.1B, Environment, Safety and Health Reporting.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Global biomass supply modeling for long-run management of the climate system

Bioenergy is projected to have a prominent, valuable, and maybe essential, role in climate management. However, there is significant variation in projected bioenergy deployment results, as well as concerns about the potential environmental and social implications of supplying biomass. Bioenergy deployment projections are market equilibrium solutions from integrated modeling, yet little is known about the underlying modeling of the supply of biomass as a feedstock for energy use in these modeling frameworks. We undertake a novel diagnostic analysis with ten global models to elucidate, compare, and assess how biomass is supplied within the models used to inform long-run climate management. With experiments that isolate and reveal biomass supply modeling behavior and characteristics (costs, emissions, land use, market effects), we learn about biomass supply tendencies and differences. The insights provide a new level of modeling transparency and understanding of estimated global biomass supplies that informs evaluation of the potential for bioenergy in managing the climate and interpretation of integrated modeling. For each model, we characterize the potential distributions of global biomass supply across regions and feedstock types for increasing levels of quantity supplied, as well as some of the potential societal externalities of supplying biomass. We also evaluate the biomass supply implications of managing these externalities. Finally, we interpret biomass market results from integrated modeling in terms of our new understanding of biomass supply. Overall, we find little consensus between models on where biomass could be cost-effectively produced and the implications. We also reveal model specific biomass supply narratives, with results providing new insights into integrated modeling bioenergy outcomes and differences. The analysis finds that many integrated models are considering and managing emissions and land use externalities of supplying biomass and estimating that environmental and societal trade-offs in the form of land emissions, land conversion, and higher agricultural prices are cost-effective, and to some degree a reality of using biomass, to address climate change.

09 BIOMASS FUELS↗
DOE OSTI2024

2023 Annual Site Environmental Report for Sandia National Laboratories, Livermore, California

Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration. The National Nuclear Security Administration’s Sandia Field Office administers the Prime Contract and oversees contractor operations at Sandia National Laboratories, California. Activities at this multi-program engineering and science laboratory support the nuclear weapons stockpile program, energy and environmental research, homeland security, micro-and nanotechnologies, and basic science and engineering research. The U.S. Department of Energy’s National Nuclear Security Administration and its management and operating contractor are committed to safeguarding the environment, assessing sustainability practices, and ensuring the validity and accuracy of the monitoring data presented in this annual site environmental report. This report provides a summary of environmental monitoring of information and compliance activities that occurred at Sandia National Laboratories, California during calendar year 2023 unless noted otherwise. General site and environmental program information is also included. This report was prepared in accordance with DOE O 231.1B, Admin Change 1, Environment, Safety and Health Reporting.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Project Earthrise: Proceedings of the Ninth Annual Conference of in VIVO Planetary Health

The “Earthrise” photograph, taken on the 1968 Apollo 8 mission, became one of the most significant images of the 20th Century. It triggered a profound shift in environmental awareness and the potential for human unity—inspiring the first Earth Day in 1970. Taking inspiration from these events 50 years later, we initiated Project Earthrise at our 2020 annual conference of inVIVO Planetary Health. This builds on the emergent concept of planetary health, which provides a shared narrative to integrate rich and diverse approaches from all aspects of society towards shared solutions to global challenges. The acute catastrophe of the COVID-19 pandemic has drawn greater attention to many other interconnected global health, environmental, social, spiritual, and economic problems that have been underappreciated or neglected for decades. This is accelerating opportunities for greater collaborative action, as many groups now focus on the necessity of a “Great Transition”. While ambitious integrative efforts have never been more important, it is imperative to apply these with mutualistic value systems as a compass, as we seek to make wiser choices. Project Earthrise is our contribution to this important process. This underscores the imperative for creative ecological solutions to challenges in all systems, on all scales with advancing global urbanization in the digital age—for personal, environmental, economic and societal health alike. At the same time, our agenda seeks to equally consider our social and spiritual ecology as it does natural ecology. Revisiting the inspiration of “Earthrise”, we welcome diverse perspectives from across all dimensions of the arts and the sciences, to explore novel solutions and new normative values. Building on academic rigor, we seek to place greater value on imagination, kindness and mutualism as we address our greatest challenges, for the health of people, places and planet.

interdependence↗
DOE OSTI2025

2024 Annual Site Environmental Report for Sandia National Laboratories, Livermore, California

Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly-owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration. The National Nuclear Security Administration’s Sandia Field Office administers the Prime Contract and oversees contractor operations at Sandia National Laboratories, California. Activities at this multi-program engineering and science laboratory support the nuclear weapons stockpile program, energy and environmental research, homeland security, micro- and nanotechnologies, and basic science and engineering research. The U.S. Department of Energy’s National Nuclear Security Administration and its management and operating contractor are committed to fulfilling regulatory obligations, safeguarding the environment, assessing sustainability practices, and ensuring the validity and accuracy of the monitoring data presented in this annual site environmental report (ASER). This report provides a summary of environmental monitoring and compliance activities that occurred at Sandia National Laboratories, California, during calendar year 2024, unless noted otherwise. General site and environmental program information is also included. This report was prepared in accordance with DOE Order 231.1B, Admin Change 1, Environment, Safety and Health Reporting.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Environmental DNA as a tool for hydropower impact assessments: current status, special considerations, and future integration

Globally there is an urgent need to find sustainable solutions to balance energy production with the protection of vulnerable species and conservation of biodiversity. This is particularly critical for freshwater ecosystems, habitats, and species that may be impacted by hydropower development and operations needed to meet energy grid demands. Reliable and accurate environmental impact assessments (EIAs) that identify the biological, physical, or social impacts of hydropower are key to ensure biodiversity, ecosystem, and societal sustainability. The analysis of environmental DNA (eDNA) has the potential to transform hydropower EIAs, management and mitigation planning, and decision-making procedures. Further, the incorporation of eDNA surveys into EIAs during both hydropower planning and continued operations may streamline regulatory processes by improving our understanding of potentially impacted biota and habitats and evaluating environmental impacts mitigation. Here, we: (i) highlight current understanding and use of eDNA in freshwater environments; (ii) examine critical considerations for eDNA integration into hydropower EIAs and biological monitoring; (iii) identify knowledge gaps in eDNA analysis and applications unique to hydropower-regulated systems; and (iv) discuss future opportunities to bolster the incorporation of eDNA into hydropower research including regulatory acceptance and public engagement. While we acknowledge that there are several factors that may complicate the broad adoption of eDNA as a tool for assessing the impacts of hydropower, we anticipate that growing confidence in eDNA through hydropower-specific protocols, calibrations, and validations will overcome these inherent uncertainties.

aquatic biodiversity↗
DOE OSTI2023

Alloy designs for high temperature Mo-base systems

For high temperature applications Mo base alloy requirements include both superior structural performance and environmental resistance. To address these requirements alloys in the Mo-Si-B system and refractory multi-principal element alloys (RMPEA) are being developed that exhibit a promising potential, but also have some remaining challenges to improve ductility, lower density and enhance environmental resistance. In the Mo-Si-B system microstructures with a Mo solid solution (Moss) Mo 3 Si and Mo 5 SiB 2 (T2) phases have been the focus of attention. However, the Si solubility in the Moss phase diminishes the ductility and toughness. In order to address this issue a new design based upon Moss, Mo 2 B and T 2 phases lowers the Si solubility in the Moss to improve ductility while the T 2 phase maintains the oxidation performance. Selected additions of Al and Ti enable a density reduction to below 8 g/cm 3 . The RMPEA designs for Mo-rich alloys provide for excellent structural performance, but the complex oxidation products provide no protection. However, in this case a new coating design has been introduced that provides the required environmental resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Simultaneous Insight into Dissolution and Aggregation of Metal Sulfide Nanoparticles through Single-Particle Inductively Coupled Plasma Mass Spectrometry

Nanoparticles (NPs) and their colloidal aggregates are ubiquitous and play important roles in the transport and release of metals. Knowledge of their dissolution rates and aggregation behavior in solution are crucial for better prediction of their fate in biogeochemical cycling, ecotoxicity, and environmental remediation. There are however significant technical challenges to accurately obtain such information as a result of the heterogeneity and highly dynamic transformation exhibited by NPs, particularly at relatively low particle concentrations in aqueous systems. Here, we quantitatively examine the simultaneous dissolution and aggregation behavior of metal sulfide NPs using single-particle inductively coupled plasma mass spectrometry (spICP–MS). We focus on nickel sulfide (NiS), with additional data presented for copper sulfide (CuS) and cobalt sulfide (CoS). The kinetics of metal release (dissolution and disaggregation) of NiS was fastest under strongly oxidizing conditions (from 0.04 to >3 min –1 with H 2 O 2 ) and were slower under near-neutral (HEPES buffer/H 2 O) and acidic (1 mM HNO 3 ) conditions (≤0.006 min –1 ). Metal release kinetics in HNO 3 was not faster than in H 2 O or HEPES, suggesting that the solution pH has an influence over both the dissolution kinetics of individual particles and the NP aggregation states, which in combination affect metal release rates over time. Between different metal sulfides, the measured metal release rates were largely consistent with predictions based on the crystallinity, solubility products, and specific surface areas of the NPs, following an order of CoS > NiS > CuS. Here, the spICP–MS approach described here can be easily applied to the characterization of metal release and aggregation of other NPs at low concentrations (~10 5 particles/mL) typically found in natural environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

The first field application of a low-cost MPC for grid-interactive K-12 schools: Lessons-learned and savings assessment

K-12 schools are the largest energy consumers in the public sector, with their HVAC energy consumption representing the largest portion of their total energy use. While transitioning these schools to grid-interactive HVAC system operation through advanced controls offers significant financial and environmental benefits, and model predictive control (MPC) has been identified as a promising solution to achieve that, very few MPCs are affordable and have been deployed in K-12 schools. This situation raises concerns about the unclear real-world benefits of MPC technology among facility managers and industries. To address this gap, this paper presents a low-cost MPC solution that requires minimal control infrastructure costs and a unique field demonstration at a K-12 school, conducted for both cooling and heating seasons. This work adopted a previously developed MPC and extended it for use in the school application. The MPC aims to coordinate multiple packaged units to eliminate unnecessary peaks and shift cooling or heating loads in response to grid signals based on load conditions, while maintaining thermostat temperatures within school-defined bounds. Throughout the field tests, the MPC achieved a 24% reduction in peak demand during the cooling season and shifted cooling or heating loads by up to 16% in response to the school's utility tariff, considering load conditions, while also allowing end-users to override thermostat setpoints. Further, the paper also discusses the limitations of this study and future research directions for better performance of the MPC at K-12 schools.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Assessing Gas-Phase Ion Reactivity of 50 Elements with NO and the Direct Application for 239 Pu in Complex Matrices Using ICP-MS/MS

Understanding the reactivity of metal cations with various reaction gases in ICP-MS/MS is important to determine the best gas to use for a given analyte/interference pair. In this study, nitric oxide (NO) was investigated as the reaction gas following previous experimental designs. The reactions with 50 elements were investigated to examine periodic trends in reactivity, validate theoretical modeling of reaction enthalpies as a method to screen reactant gases, and provide a baseline for potential in-line gas separation methods. ICP-MS/MS studies involving actinides are typically limited to Th, U and Pu, with analyses of Np and Am rarely reported in the literature. To date, only two previous methods have investigated the use of NO in ICP-MS/MS analyses. To showcase the utility of NO, a method was developed to measure 239 Pu in the presence of environmental matrix constituent and other actinides, like what could be expected from post-detonation debris, with no chemical separation prior to analysis. 239 Pu + was reacted to form 239 Pu 16 O + , eliminating interferences derived from the sample matrix by measuring 239 Pu + intensity at m/z = 255 ( 239 Pu 16 O + ). To validate NO for 238 U 1 H + interference removal in environmental matrices, standard reference materials were diluted to 1 mg per gram of solution and spiked to 0.05 pg/g of 239 Pu and 1 µg/g 238 U (Pu/U = 5 x 10 -8 ). Measured 239 Pu concentrations were within 6% of the spiked value. In conclusion, these results demonstrate that reliable 239 Pu measurements can be made at levels relevant to nuclear forensics without the need for extensive chemical matrix separation prior to analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Catalytic deconstruction of organic additive-containing plastics

Plastics waste ends up in landfills, oceans, and incinerators, posing major environmental and human health threats. Catalytic deconstruction is emerging as a key technological solution to handle complex plastics and has successfully converted virgin polymers into various products. Here, we investigate the resilience of chemical deconstruction technologies to organic additives, which are ubiquitous in plastics. We study catalyst-additive interactions experimentally and via first-principles calculations for plastics additives representative of entire classes. We reveal two deactivation mechanisms and demonstrate that many recently developed catalysts are inadequate for polyolefin conversion due to poisoning caused by the strong adsorption of most additives or their small fragments. Furthermore, we also identify conditions and catalysts that can circumvent the challenge of deconstruction in the presence of additives challenge.

10 SYNTHETIC FUELS↗
DOE OSTI2022

Quantitative U=O bond activation in uranyl complexes via silyl radical transfer

Reductive silylation of the uranyl dication with 1,4-bis(trimethylsilyl)dihydropyrazine, or “Mashima's reagent”, is detailed. The reagent simultaneously delivers silylium ions and electrons to multiple uranyl complexes, i.e. a pyridine dipyrrolide uranyl complex and a common uranyl-containing starting material, UO 2 Cl 2 (OPPh 3 ) 2 . This reaction results in quantitative activation of thermodynamically robust U=O bonds. Furthermore, the reductive functionalization of environmentally persistent actinyl species with Mashima's reagent is seen as a promising solution for nuclear waste remediation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Nucleation, growth, and superlattice formation of nanocrystals observed in liquid cell transmission electron microscopy

This work reviews the advancements and prospects of liquid cell transmission electron microscopy (TEM) imaging and analysis methods in understanding the nucleation, growth, etching, and assembly dynamics of nanocrystals. The bonding of atoms into nanoscale crystallites produces materials with nonadditive properties unique to their size and geometry. The recent application of in situ liquid cell TEM to nanocrystal development has initiated a paradigm shift, (1) from trial-and-error synthesis to a mechanistic understanding of the “synthetic reactions” responsible for the emergence of crystallites from a disordered soup of reactive species (e.g., ions, atoms, molecules) and shape-defined growth or etching; and (2) from post-processing characterization of the nanocrystals’ superlattice assemblies to in situ imaging and mapping of the fundamental interactions and energy landscape governing their collective phase behaviors. Imaging nanocrystal formation and assembly processes on the single-particle level in solution immediately impacts many existing fields, including materials science, nanochemistry, colloidal science, biology, environmental science, electrochemistry, mineralization, soft condensed-matter physics, and device fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Development of a Lower Cost, High Volume, Commercially Available, Precursor for Lower Cost Carbon Fiber for Automotive and Wind Blade Applications

Essentially all carbon fibers used in structural applications are presently manufactured from solution spun polyacrylonitrile (PAN) precursor. Solution spinning is accomplished at relatively low temperatures using very large amounts of environmentally unfriendly solvents that impart major impact to line speed and costs involved with handling and reclaiming the solvents and associated “waste streams” required in spinning and extracting those solvents. Dralon and others have demonstrated the dry spinning of PAN in the production of some acrylic fibers for textile applications, but to this point it has not been demonstrated in the production of carbon fibers. In dry spinning, the PAN polymer is also dissolved into similar solvents, although typically less solvent is utilized to maintain a somewhat higher solids content of 20-50%. The use of lower overall solvent quantities and elimination of the need for solvent/water separation simplifies and reduces the cost of solvent recovery operations. Other portions of the precursor production and carbon fiber manufacturing processes are quite similar. The work described in this report demonstrated that dry spun acrylic fiber can be an attractive candidate for carbon fiber precursor of potential interest to applications looking to capture the specific stiffness (stiffness per unit mass) and specific strength (strength per unit mass) of carbon fiber when produced at a discount relative to commercial carbon fibers in the market today. Dralon has determined that the dry spinning process utilized for producing fibers used as precursors in this project requires 27% less energy versus producing comparable fibers via the industry standard wet spinning process. Identification of carbon fiber manufacturers, as well as applications development and targeted marketing, will be required to achieve significant in-roads into mission areas of interest to DOE, such as automotive applications and wind turbine blades. In support of that activity, initial data produced in this project indicate the innovative approach as described in this report can meet at least the baseline property requirements identified for these applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Demonstration of Intelligent Container Surveillance Using Stationary and Mobile Camera Platforms

Surveillance of nuclear material storage containers is required to ensure that the container safety boundary is maintained during the service life of the container. As many of these container types are the first and only containment barrier to release protecting the worker, public, and environment, it is imperative to develop robust surveillance tools to characterize container degradation. Machine learning (ML) techniques have matured quickly in the past decade and are slowly becoming a routine application in data analysis. While more popular architectures have been developed with different applications in mind, these can be easily translated to container surveillance requirements. In this study, we developed a ML model based on the Detectron2 framework to identify slip lid containers and common exterior container defects, primarily dents. Commercial-off-the-shelf cameras are combined into a stationary camera array or are mounted to a robotic arm to provide more mobility for positioning needs. Results from the model evaluations on the images indicate that the stationary camera arrays outperform the accuracy of the mobile camera systems for both individual camera and composite image detections. Overall, however, the detection accuracies of the systems fell short of 50% and were less than satisfactory. Future efforts to improve the system involve focusing on a single camera deployable solution that combines a controllable light source that eliminates one of the biggest environmental factors that influence ML model detection performance. Additional training set collection is planned to build a more robust model that enables accurate detection from a wider range of imaging conditions.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2024

Deep Learning-based Parameterization of Complex 3D CO2 Saturation Data in Large-scale Geological Carbon Storage

In deep learning (DL), dimension reduction plays a pivotal role in improving training efficiency and minimizing overfitting, especially when working with complex datasets like three-dimensional (3D) saturation data. In the context of geological carbon storage (GCS), 3D saturation data introduces unique challenges due to its sparse nature and sharp transitions at plume boundaries, known as shock fronts. To tackle these challenges, we developed a novel DL framework that combines dimension reduction with advanced 3D reconstruction techniques. Our approach utilizes latent variables derived from 2D average saturation fields to efficiently capture the essential features of high-dimensional data while reducing the number of variables. This enhances both the robustness and accuracy of DL models, making the framework more practical for real-world applications. By offering a tailored solution for modeling complex 3D saturation dynamics, this framework holds significant potential for environmental monitoring, energy storage, and other geological applications.

Wang, Hongsheng [University of Texas at Austin]↗
DOE OSTI2025

In-Silico Design of Next Generation Cellulose-Derived Packaging Materials (CRADA Final Report)

Developing sustainable solutions for single-use packaging is an important objective to combat the environmental crisis of plastics pollution. Most embodiments of cellulose-based packaging materials, including CellophaneTM, are completely biodegradable in both terrestrial and marine environments. However, petroleum-derived alternatives offer some performance advantages for metrics such as moisture barriers and mechanical properties. This project leverages molecular dynamics simulation to investigate how molecular modifications to cellulose-based polymer assemblies impact their material properties. An important performance criterion for the modified materials was to retain biodegradability; thus, modifications by naturally occurring, biodegradable additives were the focus of this study. Specifically, we developed models with xylan and lignin of varying monomeric compositions into the cellulose matrix. The mechanical properties were investigated by performing stress-strain simulations, and the water barrier and hydrophobicity were investigated by simulating the water contact angle. Our findings indicate that the incorporation of xylan into the cellulose matrix tends to increase the mechanical properties with an optimal loading of ~27 wt%. We also predict that orienting the nanoscale directionality of the xylan chains such that they are perpendicular to the cellulose fibrils will dramatically increase mechanical strength. In contrast, the incorporation of lignin tends to weaken the composite at all loadings investigated. Simulations of water contact angle predicted that coating polymers on the surface of the cellulose assembly creates a more hydrophobic surface than incorporating them throughout the matrix. Of the coatings investigated, lignin resulted in the most hydrophobic surface, followed by pectin and keratin, which both imparted modest increases in hydrophobicity. Future experimental work done by Futamura will focus on designing material prototypes to capitalize on the predictions of performance enhancement obtained from molecular modeling. While substantial progress was made by the simulations performed in this project, there still exists a vast parameter space that we were unable to investigate, including branching, functional group decoration, and degree of polymerization of polymer additives. However, the methods developed in this initial investigation will facilitate more rapid evaluation of the impact of molecular characteristics on the performance of biopolymer composite materials and thereby accelerate future materials discovery efforts in this area.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Seeding picoscale solutions for social macro goals: complex thinking in projects for vulnerable communities

This chapter presents lessons learned from two experiences of implementing sociopoliticalsustainability strategies to achieve environmental and economic sustainability.The projects were carried out in rural communities in Guinea-Bissau andJamaica, which are both vulnerable to climate change. Each experience, developedfrom a systemic perspective and under two frameworks (the water–food–energynexus and ‘Appropriate Technology’), is described in four phases (problemcharacterization, solution design, solution pre-evaluation, and implementation),with the significant findings made by the team in terms of challenges, rewards, andessential conditions for development. Both deal with environment-friendly solutionsthat solve the problems of water and energy provision. Based on complex thinking,the experiences are analyzed from the social inclusion, participation, empowerment,and learning theory viewpoints. Finally, the insights gained by the team arehighlighted: communication requirements, the level of dependency of industrializedsolutions, budget constraints, training, testing, and planning recommendations, thediversity of interaction with the communities, and partners’ skills. As a result, futureactions can exploit these experiences and contribute to the success of subsequentprojects.

Pereira Pinto, Joao↗