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DOE OSTI2018

Prospective Environmental Analyses of Emerging Technology: A Critique, a Proposed Methodology, and a Case Study on Incremental Sheet Forming

Summary Prospective environmental assessment of emerging technology is necessary in order to inform designers of beneficial changes early in a technology's development, and policy makers looking to fund projects and nudge manufacturers toward the most sustainable application of a technology. Existing analyses often have shortcomings such as failing to consider the environmental impacts in all stages of a product's life cycle; implicitly assuming that the emerging technology will be cost‐effective wherever it is technically viable; and assuming optimistic application scenarios that discontinue long‐established trends in human behavior. In this article, we propose a new approach, complementary to the prospective and anticipatory life cycle assessment literature, addressing the above concerns and attempting to make sense of the large uncertainties inherent in such analyses by using distributions to model all the inputs. The paper focuses on emerging manufacturing technologies, such as incremental sheet forming (ISF), but the issues examined are also applicable to new end‐use products, such as autonomous vehicles. This paper makes use of approaches (such as Bass modeling and product cannibalization considerations) familiar to those in the business community who anticipate market diffusion of a new technology and the effect on existing technology sales. The proposed methodology is demonstrated by estimating the potential environmental impacts in the U.S. car industry by 2030 of an emerging double‐sided ISF process. Energy and cost models of ISF and drawing are used to estimate potential mean savings of around 100 TJ primary and 60 million U.S. dollars per year by 2030.

Cooper, Daniel R.↗

DOE OSTI2018

Oxytetracycline in intensive aquaculture: water quality during and after its administration, environmental fate, toxicity and bacterial resistance

Abstract Oxytetracycline ( OTC ) is one of the most used antibiotics in aquaculture. This raises concerns due to its effects in human and animal health, the environmental contamination and the consequences arising therefrom. This review focuses on the OTC application in intensive aquaculture. It compiles and complements the dispersed information, presenting a comprehensive study about the OTC effects, from its administration to farmed fish, until its release into the surrounding aquatic systems. Several topics about OTC are presented and discussed: physical–chemical properties, interaction with ions, application to farmed fish, effects in water quality and possible treatments, biological activity and toxicity of OTC by‐products, environmental fate. Based on the information gathered, one concludes that OTC establishes strong complexes with Ca 2+ and Mg 2+ , which may have implications on its biological activity. OTC acts as inhibitor of protein synthesis and is poorly metabolized or unmetabolized by fish. Its common recommended daily dose is about 75 mg kg −1 but depends on the administration conditions and on target fish species. Regarding OTC removal from water within a semiclosed aquaculture's water circuit, ozonation and photodegradation are not completely efficient methods as none of them promotes total mineralization. However, photodegradation can be applied as a complementary method prior to ozonation, allowing to reduce costs. OTC by‐products do not appear to retain its biological activity, but toxicity studies mimicking environmental conditions were not found. In open circuits (cages), water column where OTC is administered not suffer a specific treatment and the antibiotic is easily spread by the surrounding environments, affecting their inhabitants. OTC is released in the aquatic system in freely dissolved form and/or associated with organic or inorganic compounds, being subjected to natural photolysis, hydrolysis and/or biodegradation.

Leal, Joana F.↗

DOE OSTI2023

Information theory and machine learning illuminate large‐scale metabolomic responses of Brachypodium distachyon to environmental change

SUMMARY Plant responses to environmental change are mediated via changes in cellular metabolomes. However, <5% of signals obtained from liquid chromatography tandem mass spectrometry (LC‐MS/MS) can be identified, limiting our understanding of how metabolomes change under biotic/abiotic stress. To address this challenge, we performed untargeted LC‐MS/MS of leaves, roots, and other organs of Brachypodium distachyon (Poaceae) under 17 organ–condition combinations, including copper deficiency, heat stress, low phosphate, and arbuscular mycorrhizal symbiosis. We found that both leaf and root metabolomes were significantly affected by the growth medium. Leaf metabolomes were more diverse than root metabolomes, but the latter were more specialized and more responsive to environmental change. We found that 1 week of copper deficiency shielded the root, but not the leaf metabolome, from perturbation due to heat stress. Machine learning (ML)‐based analysis annotated approximately 81% of the fragmented peaks versus approximately 6% using spectral matches alone. We performed one of the most extensive validations of ML‐based peak annotations in plants using thousands of authentic standards, and analyzed approximately 37% of the annotated peaks based on these assessments. Analyzing responsiveness of each predicted metabolite class to environmental change revealed significant perturbations of glycerophospholipids, sphingolipids, and flavonoids. Co‐accumulation analysis further identified condition‐specific biomarkers. To make these results accessible, we developed a visualization platform on the Bio‐Analytic Resource for Plant Biology website ( https://bar.utoronto.ca/efp_brachypodium_metabolites/cgi‐bin/efpWeb.cgi ), where perturbed metabolite classes can be readily visualized. Overall, our study illustrates how emerging chemoinformatic methods can be applied to reveal novel insights into the dynamic plant metabolome and stress adaptation.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

The Effect of Environmental Contour Selection on Expected Wave Energy Converter Response

A wave energy converter must be designed to both maximize power production and to ensure survivability, which requires the prediction of future sea states. It follows that precision in the prediction of those sea states should be important in determining a final WEC design. One common method used to estimate extreme conditions employs environmental contours of extreme conditions. This report compares five environmental contour methods and their repercussions on the response analysis of Reference Model 3 (RM3). The most extreme power take off (PTO) force is predicted for the RM3 via each contour and compared to identify the potential difference in WEC response due to contour selection. The analysis provides insight into the relative performance of each of the contour methods and demonstrates the importance of an environmental contour in predicting extreme response. Ideally, over-predictions should be avoided, as they can add to device cost. At the same time, any "exceedances," that is to say sea states that exceed predictions of the contour, should be avoided so that the device does not fail. For the extreme PTO force response studied here, relatively little sensitivity to the contour method is shown due to the collocation of the device's resonance with a region of agreement between the contours. However, looking at the level of observed exceedances for each contour may still give a higher level of confidence to some methods.

42 ENGINEERING↗

DOE OSTI2023

A Physics-Based Data-Driven Approach for Modeling of Environmental Degradation in Elastomers

Abstract Elastomers are now commonly used in a number of industries, including aerospace, structure, transportation, shipbuilding, and automotive, due to their excellent workability, formability, and flexibility. During their activity, elastomers are subjected to harsh environmental conditions, which decreases their resilience. False predictions made early in their lives can have major financial and environmental implications. Elastomers’ performance and properties, such as strength, durability, and density, are influenced by chemical changes in these materials, known as degradation, which occurs over time. This process can alter the morphology of a polymer matrix as well as cause chain scission and cross-linking, resulting in different behaviors than that of the unaged material. To demonstrate the effect of thermaloxidative aging on the mechanical behavior of elastomers, several experimental and theoretical models have been proposed. In view of the large volume of experimental data available on micro-structural evolution in the course of aging, we propose a physics-based data-driven approach to overcome the shortcomings of both phenomenological and micro-mechanical models. This work presents a novel thermodynamically consistent, multiagent machine-learned model for predicting the constitutive behavior of cross-linked elastomers during environmental aging, such as thermo-oxidative and hydrolytic aging for various states of deformation. Single mechanism degradation changes the polymer matrix over time where it is causing chain scission, reduction of cross-links, and morphology change. To capture the idealized Mullins effect and permanent set due to the effect of single aging mechanisms on nonlinear mechanical responses of elastomers, we propose a data-driven model for simulating inelastic elements in a polymer matrix. By using a sequential order reduction, we were able to reduce the 3D stress-strain tensor mapping problem to a small number of super-constrained 1D mapping problems. To systematically classify such mapping problems into a few categories, an assembly of multiple replicated conditional neural network learning agents (L-agents) is used based on our recent work. Each category is represented by a different type of agent. The effect of deformation history, aging time, and aging temperature is captured by this model. The model is validated using a broad collection of data, ranging from our experimental results to data from the literature. In addition, thermodynamic consistency and frame independence are investigated. The most significant achievements of this model are its precision, simplicity, and prediction of inelasticity under various states of deformation. The model’s accuracy and simplicity make it a good option for commercial and industrial applications. Conveniently, due to the model modular nature, it can be expanded in the future to include viscoelasticity and non-isotropic formation for better precision.

Ghaderi, Aref↗

DOE OSTI2025

The environmental impact, carbon emissions and sustainability of computing in the ATLAS experiment

ATLAS, a general-purpose experiment at the Large Hadron Collider (LHC), makes use of a large internationally-distributed computing infrastructure, including over 10 6 TB of managed data on disk and tape and almost one million simultaneously running CPU cores. Upgrades for the High-Luminosity LHC (HL-LHC) will increase the required computing resources by a factor of 3–4 by the beginning of the 2030s, and by an order of magnitude before the conclusion of data taking at the beginning of the 2040s. These resources are spread over around 100 computing sites worldwide. Efforts are underway within the experiment to evaluate and mitigate various aspects of the environmental impact of the sites, with the additional long-term goal of making recommendations to the sites that will significantly reduce the total expected environmental impact in the HL-LHC era. These efforts take several forms: building awareness in the experiment community, adjusting aspects of the computing policy, and modifications of data center configurations, either in ways that take advantage of particular features of ATLAS workloads or in generic ways that reduce the environmental impact of the computing resources. This paper describes the ongoing investigations and approaches that have already provided useful and actionable outcomes.

Aad, G. [CNRS/IN2P3] (ORCID:0000000266654934)↗

DOE OSTI2023

Hydrous Transition Metal Oxides for Electrochemical Energy and Environmental Applications

Hydrous transition metal oxides (TMOs) are redox-active materials that confine structural water within their bulk, organized in 1D, 2D, or 3D networks. In an electrochemical cell, hydrous TMOs can interact with electrolyte species not only via their outer surface but also via their hydrous inner surface, which can transport electrolyte species to the interior of the material. Many TMOs operating in an aqueous electrochemical environment transform to hydrous TMOs, which then serve as the electrochemically active phase. This review summarizes the physicochemical properties of hydrous TMOs and recent mechanistic insights into their behavior in electrochemical reactions of interest for energy storage, conversion, and environmental applications. Particular focus is placed on first-principles calculations and operando characterization to obtain an atomistic view of their electrochemical mechanisms. Hydrous TMOs represent an important class of energy and environmental materials in aqueous and nonaqueous environments. Further understanding of their interaction with electrolyte species is likely to yield advancements in electrochemical reactivity and kinetics for energy and environmental applications.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Sandia National Laboratories Environmental Fluid Dynamics Code V. 1 0.0 (Beta)

The DOE has funded Sandia National Labs (SNL) to develop an open-source modeling tool to guide the design and layout of marine hydrokinetic (MHK) arrays to maximize power production while minimizing environmental effects. This modeling framework simulates flows through and around MHK arrays while quantifying environmental responses. As an augmented version of US EPA's Environmental Fluid Dynamics Code (EFDC), SNL-EFDC includes: (1) a new module that simulates energy conversion (momentum withdrawal) by MHK devices with commensurate changes in the turbulent kinetic energy and its dissipation rate, (2) new, advanced sediment dynamics routines, and (3) augmented water quality modules.

Jones, Craig↗

DOE OSTI2016

Advanced Computational Framework for Environmental Management ZEM, Version 1.x

Typically environmental management problems require analysis of large and complex data sets originating from concurrent data streams with different data collection frequencies and pedigree. These big data sets require on-the-fly integration into a series of models with different complexity for various types of model analyses where the data are applied as soft and hard model constraints. This is needed to provide fast iterative model analyses based on the latest available data to guide decision-making. Furthermore, the data and model are associated with uncertainties. The uncertainties are probabilistic (e.g. measurement errors) and non-probabilistic (unknowns, e.g. alternative conceptual models characterizing site conditions). To address all of these issues, we have developed an integrated framework for real-time data and model analyses for environmental decision-making called ZEM. The framework allows for seamless and on-the-fly integration of data and modeling results for robust and scientifically-defensible decision-making applying advanced decision analyses tools such as Bayesian- Information-Gap Decision Theory (BIG-DT). The framework also includes advanced methods for optimization that are capable of dealing with a large number of unknown model parameters, and surrogate (reduced order) modeling capabilities based on support vector regression techniques. The framework is coded in Julia, a state-of-the-art high-performance programing language (http://julialang.org). The ZEM framework is open-source and can be applied to any environmental management site. The framework will be open-source and released under GPL V3 license.

Vesselinov, VelimirV.↗

DOE OSTI2024

Plastics Environmental Risk Calculator

SF-24-074 The Plastics Environmental Risk Calculator (PERC) was developed in Microsoft Excel and estimates the environmental distribution and lifetime of new biobased and conventional plastics from commonly measured properties of the plastics. A Random Forest regression model embedded in the calculator calculates plastic degradation rates and lifetimes as a proxy for environmental risk. Model default assumptions may be overwritten by the user.

Beckman, Kevin [Argonne National Laboratory (ANL),↗

DOE OSTI2026

The UCAR Africa Initiative: Recent insights, challenges, and opportunities to foster collaborative research for environmental sustainability

Africa is increasingly being exposed to the negative impacts of climate and environmental change, while having less capacity to respond compared to other continents. The vulnerability partially results from unprecedented demographic growth, urbanization, and industrialization. However, the continent has still largely been underserved by the broader Earth System Science (ESS) community, as evidenced by the limited amount of ESS data and research that cover Africa compared to other areas of the world. Here we present the recent University Corporation for Atmospheric Research (UCAR) Africa Initiative that aims to enhance environmental sustainability in Africa by fostering international collaborative research partnerships co-led by African scientists. Specifically, we outline urgent challenges and opportunities identified through an international workshop in six areas of ESS namely (1) air quality and health, (2) weather, (3) climate, (4) land and water, (5) social science perspectives, and (6) developing equitable collaboration and sustainable infrastructure. We highlight examples of successful partnerships and conclude with recommendations to advance collaborative, actionable ESS research that addresses Africa’s critical environmental challenges.

African weather and land variability↗

DOE OSTI2019

Genetic and environmental variation impact the cuticular hydrocarbon metabolome on the stigmatic surfaces of maize

Abstract Background Simple non-isoprenoid hydrocarbons accumulate in discrete regions of the biosphere, including within bacteria and algae as a carbon and/or energy store, and the cuticles of plants and insects, where they may protect against environmental stresses. The extracellular cuticular surfaces of the stigmatic silks of maize are rich in linear hydrocarbons and therefore provide a convenient system to study the biological origins and functions of these unique metabolites. Results To test the hypotheses that genetics and environment influence the accumulation of surface hydrocarbons on silks and to examine the breadth of metabolome compositions across diverse germplasm, cuticular hydrocarbons were analyzed on husk-encased silks and silks that emerged from the husk leaves from 32 genetically diverse maize inbred lines, most of which are commonly utilized in genetics experiments. Total hydrocarbon accumulation varied ~ 10-fold among inbred lines, and up to 5-fold between emerged and husk-encased silks. Alkenes accounted for 5-60% of the total hydrocarbon metabolome, and the majority of alkenes were monoenes with a double bond at either the 7th or 9th carbon atom of the alkyl chain. Total hydrocarbon accumulation was impacted to similar degrees by genotype and husk encasement status, whereas genotype predominantly impacted alkene composition. Only minor differences in the metabolome were observed on silks that were emerged into the external environment for 3- versus 6-days. The environmental influence on the metabolome was further investigated by growing inbred lines in 2 years, one of which was warmer and wetter. Inbred lines grown in the drier year accumulated up to 2-fold more hydrocarbons and up to a 22% higher relative abundance of alkenes. In summary, the surface hydrocarbon metabolome of silks is primarily governed by genotype and husk encasement status, with smaller impacts of environment and genotype-by-environment interactions. Conclusions This study reveals that the composition of the cuticular hydrocarbon metabolome on silks is affected significantly by genetic factors, and is therefore amenable to dissection using quantitative genetic approaches. Such studies will clarify the genetic mechanisms responsible for the accumulation of these metabolites, enabling detailed functional investigations of the diverse and complex protective roles of silk surface lipids against environmental stresses.

Dennison, Tesia (ORCID:0000000340451175)↗

DOE OSTI2023

AmeriFlux FLUXNET-1F US-xSE NEON Smithsonian Environmental Research Center (SERC)

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-xSE NEON Smithsonian Environmental Research Center (SERC). This is the FLUXNET version of the carbon flux data for the site US-xSE NEON Smithsonian Environmental Research Center (SERC) produced by applying the standard ONEFlux (1F) software. Site Description - This site is operated at the Smithsonian Environmental Research Center, which is comprised of forests, wetlands, marshes and shoreline on the Chesapeake Bay

Network), NEON (National Ecological Observatory↗

DOE OSTI2026

AmeriFlux FLUXNET-1F US-OPE Optimizing Production Inputs for Economic and Environmental Enhancement (OPE3)

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-OPE Optimizing Production Inputs for Economic and Environmental Enhancement (OPE3). This is the FLUXNET version of the carbon flux data for the site US-OPE Optimizing Production Inputs for Economic and Environmental Enhancement (OPE3) produced by applying the standard ONEFlux (1F) software. Site Description - The Optimizing Production Inputs for Economic and Environmental Enhancement (OPE3) site is located at the Beltsville Agricultural Research Center in Prince George's County, MD, and consists of a 22-ha production field, with an adjacent riparian wetland and first-order stream. Scientists from several U.S. Federal agencies, universities (foreign and domestic), and private industry have conducted multidisciplinary research at this location since 1998.

Alfieri, Joe [USDA-ARS Hydrology and Remote Sensin↗

DOE OSTI2024

Mitigation of Safety and Environmental Challenges Posed by Low and Ultra-low GWP Refrigerants

The abatement of safety and environmental burden associated with low and ultra-low Global Warming Potential (GWP) refrigerants is a critical undertaking. As the industry shifts towards more environmentally friendly alternatives, mitigating the potential risks and ensuring safety standards becomes paramount. The adoption of low GWP and ultra-low GWP refrigerants contributes significantly to minimizing the greenhouse gas impact on the environment, aligning with global climate and sustainability goals. However, it is essential to address safety concerns and potential environmental implications associated with the end use of these refrigerants.A method to mitigate the safety risk in a flammable refrigerant based HVACR system is the primary focus of this paper. Advent of A2L and A3 refrigerants as replacements to high GWP refrigerants requires careful handling of leak episodes to lower or eliminate the risk associated with creating flammable mixtures capable of fire/explosion hazard. Solid materials tailored to target the molecule of interest (i.e., refrigerant.) by engineering the microporous structure as well as chemically functionalizing the surface to attract and hold on to the chemical compound being removed from the gas stream was realized. Additionally, a chromatic transformation technique is investigated for rapid on-site analysis of refrigerant blends. Preliminary results demonstrating the feasibility of both of these methods for successful deployment of low-GWP refrigerants are presented.

Cheekatamarla, Praveen↗

DOE OSTI2012

Lawrence Livermore National Laboratory Environmental Report 2011

Lawrence Livermore National Laboratory (LLNL) is a premier research laboratory that is part of the National Nuclear Security Administration (NNSA) within the U.S. Department of Energy (DOE). As a national security laboratory, LLNL is responsible for ensuring that the nation’s nuclear weapons remain safe, secure, and reliable. The Laboratory also meets other pressing national security needs, including countering the proliferation of weapons of mass destruction and strengthening homeland security, and conducting major research in atmospheric, earth, and energy sciences; bioscience and biotechnology; and engineering, basic science, and advanced technology. The Laboratory is managed and operated by Lawrence Livermore National Security, LLC (LLNS), and serves as a scientific resource to the U.S. government and a partner to industry and academia. LLNL operations have the potential to release a variety of constituents into the environment via atmospheric, surface water, and groundwater pathways. Some of the constituents, such as particles from diesel engines, are common at many types of facilities while others, such as radionuclides, are unique to research facilities like LLNL. All releases are highly regulated and carefully monitored. LLNL strives to maintain a safe, secure and efficient operational environment for its employees and neighboring communities. Experts in environment, safety and health (ES&H) support all Laboratory activities. LLNL’s radiological control program ensures that radiological exposures and releases are reduced to as low as reasonably achievable to protect the health and safety of its employees, contractors, the public, and the environment. LLNL is committed to enhancing its environmental stewardship and managing the impacts its operations may have on the environment through a formal Environmental Management System. The Laboratory encourages the public to participate in matters related to the Laboratory’s environmental impact on the community by soliciting citizens’ input on matters of significant public interest and through various communications. The Laboratory also provides public access to information on its ES&H activities. LLNL consists of two sites—an urban site in Livermore, California, referred to as the “Livermore site,” which occupies 1.3 square miles; and a rural Experimental Test Site, referred to as “Site 300,” near Tracy, California, which occupies 10.9 square miles. In 2011 the Laboratory had a staff of approximately 6800.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2013

Data Call to Support the Surplus Plutonium Disposition Supplemental Environmental Impact Statement (Final Report)

Based on conclusions of a recent pit disassembly and conversion (PDC) Alternatives Study, the plutonium facility at Los Alamos (TA-55-4, “PF-4”) may be a viable location for converting pits into a feed material for making mixed oxide fuel rods at Savannah River Site (SRS). The alternatives study was separate from the on-going effort to develop a Supplemental Environmental Impact Statement (SEIS) for Surplus Plutonium Disposition (SPD). The National Nuclear Security Administration (NNSA) has decided to include the Los Alamos option in the National Environmental Policy Act (NEPA) analysis. An NNSA memorandum “Data Call to Support the Surplus Plutonium Disposition Supplemental Environmental Impact Statement” received on October 26, 2011 directed Los Alamos to gather data in support of this effort.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2013

Report on Assessment of Environmentally Assisted Fatigue for LWR Extended Service Conditions

This report provides an update on an earlier assessment of environmentally assisted fatigue for light water reactor (LWR) materials under extended service conditions. This quarterly report is a deliverable in FY13 under the work package for environmentally assisted fatigue in the Light Water Reactor Sustainability (LWRS) program. The overall objective of this LWRS project is to assess the degradation by environmentally assisted cracking/fatigue of LWR materials such as various alloy base metals and their welds used in reactor coolant system piping. This effort is to support the Department of Energy LWRS program for developing tools to predict the aging/failure mechanism and to correspondingly predict the remaining life of LWR components for anticipated 60-80 year operation.

Mohanty, Subhasish↗