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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 505 records · Page 28

Comparative Techno-Economic Analysis of Available Feedstocks for High-Temperature Conversion: Whole Tree Thinnings and Mature Pine Residues

The TEA and LCA impacts of utilizing low-cost feedstocks in a high-temperature conversion process are of great interest. Here, we investigate the conversion cost impacts of two underutilized feedstocks from the commercial pine industry; 13-year-old whole trees, representing trees removed for the purpose of pre-commercial thinning, and 23-year-old pine residues, representing a waste stream produced from the deconstruction of mature trees for other purposes. Experimental fast pyrolysis data for each feedstock was used in tandem with results from supply and preprocessing analyses in order to evaluate the field-to-fuel economics. A low difference in MFSP was found between the conversion costs for the two feedstocks, with residues demonstrating a net benefit of $0.27/GGE compared to the whole tree thinnings, driven primarily by feedstock supply costs. This suggests that both whole tree thinnings and pine residues may be viable feedstock options for CFP conversion. Life cycle inventories were also generated for each case, enabling a field-to-fuel quantification of the cost and carbon cycle associated with each feedstock.

09 BIOMASS FUELS↗

Soil application of high-lignin fermentation byproduct to increase the sustainability of liquid biofuel production from crop residues

When digestates from anaerobic digestion of crop residues are added to soil, a considerable body of information indicates that soil organic carbon (SOC) levels are comparable to those when crop residues are left in the field. This occurs although the amount of digestate added to soil is diminished by digestion and implies that digestion increases the proportion of carbon inputs stabilized as SOC. Here we examine the likelihood and implications of these features being manifested for soil application of high lignin-fermentation byproduct (HLFB) from liquid biofuel production. We show that steady-state SOC levels are much less sensitive to crop residue removal with HLFB return than without it, and provide an example supporting the feasibility of foregoing process energy and coproduct revenue when HLFB is returned to the soil. Informed by this review and analysis, we expect with moderate confidence that long-term SOC levels for soils amended with HLFB from some liquid cellulosic biofuel processes will not be substantially lower than those occurring when crop residues are left in the field. We have high confidence that the economically optimum rate of fertilizer nitrogen (N) application and N 2 O emissions will be lower at most sites for HLFB return to the soil than if crop residues were left in the field. We estimate that the per hectare N demand for processing crop residues to liquid biofuels is about a third of the per hectare demand for crop production, giving rise to an opportunity to use N twice and thereby realize cost savings and environmental benefits. These observations support but do not prove the hypothesis that a ‘win-win’ is possible wherein large amounts of liquid biofuel feedstock can be obtained from crop residues while improving the economics and sustainability of food and feed production. A research agenda aimed at exploring and testing this hypothesis is offered.

09 BIOMASS FUELS↗

Material Selection and Sizing of a Thermoelectric Generator (TEG) for Power Generation in a Self-Powered Heating System

By employing the high temperature heat source to directly generate the electricity needed to power auxiliary systems in a natural gas furnace, boiler or hot water heater, a “self-powered” heating system can provide several benefits. Compared with a traditional furnace, boiler or hot water heater, when overall fuel utilization is kept constant, the self-powered system will have a higher primary energy efficiency, lower operating costs, and dramatically improved building safety and resilience during electric grid outages. Furthermore, a self-powered heating system only has a single utility connection – natural gas, without an electric connection – thus simplifying installation. A thermoelectric generator can be used for direct energy conversion of thermal energy to electricity with no moving parts, which offers a very simple means to provide power for the self-powered heating system, and the operation is without noise or vibration and can thus provide a very long system life. This paper provides an analysis focused on materials selection and the thermal power requirements for a thermoelectric generator (TEG) for use in a self-powered heating system. The dimensionless figure of merit for thermoelectric materials, zT, is used to estimate the optimal efficiency that can be achieved with a TEG to produce the electric power required in such an application. Comparisons of the predicted efficiency, the required heat transfer rate to the TEG and the heat transfer area needed for sustained operation under thermal conditions relevant to the self-powered heating application are made for several potential thermoelectric materials. This analysis was used to develop system requirements for a self-powered hot water heater using a TEG for electric power generation.

Laclair, Tim↗

Intelligent industrial demand response to increase grid flexibility and reliability: A review

The rapid transition toward renewable energy has introduced challenges in grid stability due to the intermittency of non-dispatchable sources like solar and wind. Industrial Demand Response (IDR) offers a promising, cost-effective solution that adjusts energy consumption patterns to align with supply, increases renewable utilization, and reduces costs. This review provides an updated analysis of IDR, sorting technologies into five categories: energy storage, scheduled energy usage, operational flexibility, on-site generation, and intelligent operations. Energy storage solutions, while requiring little flexibility, often have the longest payback periods. While slightly better, on-site generation also has longer payback periods, ranging from 5 to 20 years or more. Scheduled energy usage, operational flexibility, and intelligent operations allow significant peak reduction at lower capital costs but require greater flexibility. While 15–20 % peak reduction is within the range of all five categories, scheduled energy use and on-site energy generation are shown to have reductions of up to 70–80 % in select scenarios. Combining multiple IDR strategies from these five categories maximizes both financial and operational benefits. Synergistic approaches are shown to enhance grid stability while reducing costs. As the grid evolves, IDR will enable a more flexible, renewable-powered future that will benefit industrial facilities and the broader energy system.

Demand flexibility↗

Integrating Carbon Capture, Utilization, & Sequestration into Chemical Pulp Mills

The U.S. pulp and paper industry presents a unique and largely untapped opportunity for large- scale carbon dioxide removal (CDR). Unlike most industrial sectors, pulp mills rely heavily on biomass, meaning that much of their carbon emissions originate from atmospheric CO₂ that was recently captured by plants. If this biogenic CO₂ can be captured and permanently stored, pulp mills can be transformed from carbon emitters into net carbon removal facilities. This project was motivated by that opportunity and aimed to develop and evaluate integrated, low-cost strategies for capturing, utilizing, and sequestering CO₂ within existing chemical pulping operations. The scope of this work focused on four complementary innovations designed to integrate seamlessly into kraft pulp mill infrastructure: (1) in situ CO₂ capture within the recovery cycle, (2) oxy-fuel retrofitting of the rotary lime kiln to produce a high-purity CO₂ stream, (3) ex situ CO₂ capture and mineralization using pulp mill residues (dregs, grits, and lime mud), and (4) beneficial reuse of these residues as mineral carbonate fertilizers. The project combined process modeling, laboratory experimentation, life cycle assessment (LCA), and field trials to evaluate the technical feasibility, economic viability, and environmental impact of these approaches. The results demonstrate that pulp mills can serve as effective platforms for carbon removal when equipped with integrated carbon capture systems. Process modeling showed that combining sodium spiking with oxy-fuel calcination significantly enhances CO₂ capture efficiency while reducing costs by up to 31% compared to conventional configurations. Experimental work further revealed that calcination behavior in high-CO₂ environments differs substantially from traditional systems, leading to the development of a new kinetic model that predicts reaction rates under these conditions. This model provides essential design guidance for next-generation decarbonized lime kilns. In parallel, the project demonstrated that alkaline mineral residues generated during pulping operations can be repurposed as a sustainable alternative to agricultural lime. Across a wide range of soils in the southeastern United States, these materials performed equivalently to commercial lime in adjusting soil pH while offering lower greenhouse gas emissions and reduced cost. Field and greenhouse studies confirmed that crop and tree growth responses were comparable, supporting their viability as a drop-in replacement. This co-product pathway provides a practical utilization strategy that offsets costs and improves overall system economics. A major contribution of this project is the first comprehensive life cycle assessment of carbon removal in pulp and paper systems across multiple system boundaries. Results show that retrofitted mills can achieve carbon removal efficiencies ranging from 12% to 92%, depending on how the system is defined. This finding highlights a critical issue in carbon accounting: reported performance is highly sensitive to methodological choices. By explicitly quantifying these differences, this work provides valuable guidance for policymakers, carbon registries, and project developers working to standardize carbon removal metrics. From a commercialization perspective, the technologies investigated in this project are well- aligned with existing industrial infrastructure, minimizing the need for entirely new facilities. 3 DE-EE0009413 Industry engagement throughout the project—including collaboration with pulp and paper companies, equipment manufacturers, and carbon removal developers—has accelerated the transition from research to deployment. Notably, a commercial developer is actively pursuing carbon capture projects at pulp mills in the southeastern United States and has cited this research as a contributing foundation. The emergence of voluntary carbon markets and long-term offtake agreements further strengthens the business case for implementation. The broader public benefits of this work are significant. By enabling large-scale carbon removal using existing industrial systems, this approach offers a near-term pathway to reduce atmospheric CO₂ concentrations while supporting domestic manufacturing and rural economies. The reuse of industrial residues as fertilizers reduces reliance on mined materials, lowers costs for farmers, and decreases environmental impacts associated with conventional lime production. In addition, the project has supported workforce development by training graduate students and researchers in carbon capture technologies, helping to build capacity in a critical area of national interest. In conclusion, this project demonstrates that integrated carbon capture, utilization, and sequestration in pulp mills is both technically feasible and economically promising. By combining process innovation, experimental validation, and systems-level analysis, the work advances the understanding of how biomass-based industries can contribute to climate mitigation. The findings provide a strong foundation for commercial deployment and offer a scalable solution for transforming a major U.S. industry into a source of durable carbon removal.

09 BIOMASS FUELS↗

Valuing Residential Energy Efficiency: Analysis for a Prototypical Southeastern Utility [Slides]

The increasing amount of variable renewable energy resources and shifts towards more end-use and vehicle electrification suggests profound changes to power system planning and operation. Specifically, renewable energy is expected to shift net peak demand from late afternoon to early evening and end-use electrification may significantly increase winter peak demand. Residential energy efficiency is likely to align well with these shifts as it tends to produce savings in the early evening (e.g., from lighting measures) and coincident with heating loads (e.g., from envelope and space conditioning measures). Despite the opportunity to decrease system costs and emissions, residential energy efficiency is often limited by static valuation methods and its economic potential is considerably less than its technical potential. Using hourly residential energy efficiency characterizations, utility program cost data, and a capacity expansion model, we estimate the benefits of residential energy efficiency for a prototypical, summer-peaking utility in the Southeastern region. We first establish the cost-effective residential energy efficiency portfolio through “competition” with supply-side resources in a forward-looking capacity expansion model. Importantly, we then evaluate several scenarios intended to drive an increasing amount of cost-effective residential energy efficiency through measure cost reductions, increased customer adoption, policy goals (e.g., carbon price), and delivery of an integrated package of measures. The results quantify total system cost and emissions reductions, fossil-fuel plant retirements, and peak demand reductions. Results suggest the design and prioritization of policies and programs to access the untapped amount of cost-effective residential energy efficiency.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Optimizing Hydronic Heating for Comfort and Performance in Multifamily Housing

Inefficient control settings in multifamily boilers often lead to substantial energy and cost penalties. To address this, a Fault Detection and Diagnostic (FDD) tool was developed to automate data analysis and identify operational faults such as suboptimal outdoor temperature sensor placement, misconfigured outdoor air reset (OAR) curves, excess boiler cycling, and domestic hot water (DHW) setpoint errors. By comparing pre- and post-implementation periods and applying engineering models, the tool quantifies energy savings and reduces manual analysis time by over 90%. Testing on over 100 monitored sites and a targeted subset of 12 buildings showed an average 11% energy savings from remote optimization; further validation across 19 OAR curve changes confirmed the tool’s accuracy, predicting actual savings within ±5% for most cases. Simple payback can be under three years for many multifamily buildings, though rising hardware, labor, and fuel costs create uncertainties, and decarbonization goals increasingly shift focus to electrification. The FDD tool remains invaluable for optimizing existing boilers, enhancing future electrification measures, and adapting to new technologies by refining building load estimates. In doing so, it supports both near-term efficiency and long-term transitions to low-carbon alternatives, ensuring buildings achieve substantial cost and energy benefits throughout their system lifecycles.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Techno-Economic Analysis of Recuperated Joule-Brayton Pumped Thermal Energy Storage

This article describes a techno-economic model for pumped thermal energy storage systems based on recuperated Joule-Brayton cycles and two-tank liquid storage. Models have been developed for each component, with particular emphasis on the heat exchangers. Economic metrics such as the power and energy capital costs (i.e., per-kW and per-kWh capacity) and levelized cost of storage are evaluated by gathering numerous cost correlations from the literature, thereby enabling estimates of uncertainty. It is found that the use of heat exchangers with effectivenesses up to 0.95 is economically worthwhile, but higher values lead to rapidly escalating component size and system cost. Several hot storage fluids are considered; those operating at the highest temperatures (chloride salts) improve the round-trip efficiency but the benefit is marginal and may not warrant the additional material costs and risk when compared to lower-temperature nitrate salts. Cost-efficiency trade-offs are explored using a multi-objective optimization algorithm, yielding optimal designs with round-trip efficiencies in the range 59-72% and corresponding levelized storage costs of 0.12 0.03 and 0.38 0.10 $/kWhe. Lifetime costs are competitive with lithium-ion batteries for discharging durations greater than 6 h under current scenarios.

Carnot battery↗

Electric Vehicles at Scale - Phase II - Distribution Systems Analysis

The use of electric vehicles (EVs) in the United States has grown significantly during the last decade, posing benefits to the environment but also potential challenges to our grid. To better understand this scenario , the Department of Energy (DOE) asked Pacific Northwest National Laboratory (PNNL) to perform an authoritative study of the impacts of EVs at scale on the electric grid. The Phase I study focused on the bulk power electricity impacts . This EV-at-scale Phase II work addresses key questions of interest to DOE related to the impacts of EV in the distribution systems: 1. When (which year), where, and how many EVs will be adopted and how will they be charged? 2. Given some prospective answers to the above question, what would be the EV hosting capability of a distribution system circuit? 3. How could the hosting capability be expanded to accommodate more EVs and what would be the potential measures and cost? This report documents the methodologies developed as part of this project and provides EV adoption modeling examples using distribution system circuit data provided by industry partner, Southern California Edison (SCE).

24 POWER TRANSMISSION AND DISTRIBUTION↗

Circular Economy Contributions to Decarbonizing the US Steel Sector

The potential benefits of the circular economy (CE) for decarbonization have recently attracted much attention in the academic and grey literature. The department of energy (DOE) industrial decarbonization roadmap highlight that in addition to the four pillars (energy efficiency, electrification, low-carbon fuels, feedstocks, and energy sources, and carbon capture, utilization, and storage (CCUS)) identified in the roadmap, "scenarios [...] will need to be developed that incorporate materials efficiency and circular economy strategies". Moreover, the roadmap identifies hard-to-abate CO2 emissions across the five industrial subsectors included in the analysis (iron & steel, chemical, food & beverage, refining, and cement manufacturing). Thus, additional options to decarbonize the industrial sector, like the CE, could prove beneficial to address those hard-to-abate emissions. Moreover, they may be less costly, require less R&D or incentives, and be more readily adopted than other strategies such as energy efficiency and CCUS. While the Industrial Decarbonization Roadmap includes some CE strategies (e.g., the increasing market share of steel from electric arc furnaces - which incorporate steel scrap), a deeper dive into what role the CE could play in the United States (US) industrial decarbonization is needed. In this work, we present several industrial decarbonization scenarios that incorporate materials efficiency and circular economy strategies for the iron & steel subsector. The scenarios identify barriers (including technical limits and constraints), opportunities, and R&D needs.Moreover, we estimate the contribution of those scenarios to reducing the industrial sector's CO2 emissions and their potential synergies with the Industrial Decarbonization Roadmap's four pillars. Iron & steel manufacturing was responsible for 90 million tons of industrial CO2 emissions in 2020 - 7% of the industrial sector's total process- related emissions. Besides recycling - which presents technical limitations due to trace contaminants - CE strategies on the demand side could lower iron & steel manufacturing emissions (e.g., the development of lighter products or business models that encourage a more intensive use). This study reviews barriers, opportunities, and trade-offs for 5 material efficiency strategies. Many topics explored in the review call for further research.

barriers↗

Uncovering hidden market opportunities for advanced nuclear reactors

Decarbonizing to meet aggressive climate change mitigation targets requires energy transition within all sectors. In the industrial sector, global emissions will need to decrease by 65–90% by 2050 to avert warming greater than 1.5°C (Pörtner et al., 2022). Recent U.S. laws, including the Inflation Reduction Act (IRA), Bipartisan Infrastructure Law (BIL), Defense Production Act, Creating Helpful Incentives to Produce Semiconductors (or CHIPS), state programs, and other recent laws, have clean energy requirements and provide financial incentives to accelerate the use of clean energy technologies in the industrial sector. These new laws include supporting mechanisms with direct financial support for nuclear power (e.g., advanced reactor development and hydrogen production). However, advanced nuclear could also gain these financial benefits by coupling with low-carbon industrial projects. For example, microreactors could supply low-carbon energy to producers of critical metals that (1) are eligible to receive investment and production tax credits and favorable loans, and (2) the low-carbon product could gain preference in emerging markets for green products.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Multifaceted Challenges and Opportunities Associated with Small Modular Reactors in Africa: A Nonproliferation Perspective

In response to the increasing global energy demands driven by industrialization and the urgent need for decarbonization, this study explores the potential of Small Modular Reactors (SMRs) as a sustainable energy solution in Africa. With a focus on nonproliferation concerns, the paper assesses Africa's energy landscape, emphasizing the need for diverse and reliable power sources. While highlighting the scalability and cost-effectiveness of SMRs, the analysis acknowledges potential challenges associated with adhering to the Nonproliferation Treaty with their mass deployment in the African continent. Examining regulatory frameworks, international cooperation, and security protocols, the study also underscores the importance of regional collaboration to prevent the misuse of nuclear technology for military and malicious purposes. The economic and geopolitical implications of SMR deployment in Africa are also investigated, considering its contributions to energy security and economic growth. Drawing insights from successful case studies, the paper concludes by synthesizing key findings and proposing recommendations for policymakers and stakeholders. These recommendations encompass regulatory enhancement, capacity building, technology transfer, and diplomatic efforts to strengthen nuclear security, nonproliferation, and safeguards. The overarching aim is to advocate for a balanced approach that maximizes the benefits of SMRs while mitigating associated risks to ultimately contribute to the sustainable and secure development of nuclear energy in Africa.

Prah, Christina↗

The Technical and Economic Potential of the H2@Scale Hydrogen Concept within the United States

The U.S. energy system is evolving as society and technologies change. Renewable electricity generation - especially from wind and solar - is growing rapidly, and alternative energy sources are being developed and implemented across the residential, commercial, transportation, and industrial sectors to take advantage of their cost, security, and health benefits. Systemic changes present numerous challenges to grid resiliency and energy affordability, creating a need for synergistic solutions that satisfy multiple applications while yielding system-wide cost and emissions benefits. One such solution is an integrated hydrogen energy system. This is the focus of H2@Scale - a U.S. Department of Energy (DOE) initiative led by the Office of Energy Efficiency and Renewable Energy’s Hydrogen and Fuel Technologies Office. H2@Scale brings together stakeholders to advance affordable hydrogen production, transport, storage, and utilization in multiple energy sectors. The H2@Scale concept involves hydrogen as an energy intermediate. Hydrogen can be produced from various conventional and renewable energy sources including as a responsive load on the electric grid. Hydrogen has many current applications and many more potential applications, such as energy for transportation - used directly in fuel cell electric vehicles (FCEVs), as a feedstock for synthetic fuels, and to upgrade oil and biomass - feedstock for industry (e.g., for ammonia production, metals refining, and other end uses), heat for industry and buildings, and electricity storage. Owing to its flexibility and fungibility, a hydrogen intermediate could link energy sources that have surplus availability to markets that require energy or chemical feedstocks, benefiting both. This document builds upon a growing body of analyses of hydrogen as an energy intermediate by reporting the results from our initial analysis of the potential impacts of the H2@Scale vision by the mid-21 st century for the 48 contiguous U.S. states. Previous estimates have been based on expert elicitation and focused on hydrogen demands. We build upon them, first, by estimating hydrogen’s serviceable consumption potential for possible hydrogen applications and the technical potential for producing hydrogen from various resources. We define the serviceable consumption potential as the quantity of hydrogen that would be consumed to serve the portion of the market that could be captured without considering economics (i.e., if the price of hydrogen were $0/kg over an extended period); thus, it can be considered an upper bound for the size of the market. We define the technical potential as the resource potential constrained by real-world geography and system performance, but not by economics. We then compare the cumulative serviceable consumption potential with the technical potential of a number of possible sources. Second, we estimate economic potential: the quantity of hydrogen at an equilibrium price at which suppliers are willing to sell and consumers are willing to buy the same quantity of hydrogen. We believe this method provides a deeper understanding than was available in the previous analyses. We develop economic potentials for multiple scenarios across various market and technology-advancement assumptions.

08 HYDROGEN↗

Exploring the Spatial Relationship Between Demographic Indicators and the Built Environment of a City

In addition to global and regional drivers of urbanization, neighborhood development in urban areas across the United States has been shown to be influenced by various local socio-economic factors. These factors, despite varying across socio-economic groups, have large implications regarding a population’s vulnerability to extreme climate events, including heat waves resulting in adverse health impacts. Additionally, the demographics of an urban area can shape its infrastructural characteristics, causing different populations groups to face varying levels of risks and benefits. As a result, the urban morphology and socio-economic characteristics of a city are deeply intertwined; however, their interactions on a finer scale are not yet fully understood. This research aims to better understand the relationships between various socio-economic factors and the built environment of a city, considering variability in building types, and temperature patterns. This research focuses on the city of Las Vegas, NV, and uses spatial data analysis to understand the correlation between of socio-economic characteristics, building morphology, building characteristics, and temperature data to understand the correlation between these various factors. Results of these research shows there is a distinct pattern of clustering of socio-economic characteristics with the city and there is a distinct correlation between age and cost, socio-economic characteristics, and locations of high heat distribution within the city.

Singh, Ridhima↗

Viability of Additively Manufactured Electrodes for Lithium-Ion Batteries

As the global economy becomes increasingly electrified, the demand for batteries and energy storage is expected to rise significantly, particularly in the transportation and electricity sectors. Lithium-ion batteries (LIBs) are currently the most advanced and widely used technology in this field. Traditionally, LIBs are manufactured using simple 2D planar geometries to maximize production efficiency and minimize costs. However, this approach limits energy density due to the restricted design flexibility of the electrodes. Additive manufacturing (AM) offers a promising solution to enhance the energy density and efficiency of LIBs by enabling the design of architectures that reduce diffusive losses and allow for a greater amount of active material to be incorporated within the same device footprint, thereby minimizing the use of inactive materials. Different AM techniques come with their own set of limitations, including printing speed, material compatibility, and scale, which must be considered when designing electrodes. Scalable and cost-effective methods are particularly important for electric vehicle batteries, while achieving higher energy densities in microbatteries is crucial for the miniaturization of wearable electronics and medical devices. Here, in this study, we simulate various 3D porous electrode designs for LIBs using graphite and nickel manganese cobalt oxide (NMC) electrodes. These designs are selected to represent structures that could be produced using different AM techniques, such as direct ink writing, fused deposition modeling, and stereolithography. Our results indicate that at higher charging rates and increased areal mass loading, 3D structures can outperform traditional 2D electrodes, although the benefits may diminish with more complex designs that are harder to manufacture. The observed gains in energy density are attributed to improved electrode utilization and reduced diffusive energy losses. This comprehensive analysis of structure–performance relationships will provide valuable insights to guide future research on 3D designs, material selection, and AM techniques for additively manufactured battery electrodes.

25 ENERGY STORAGE↗

Incorporating Coverage-Dependent Reaction Barriers into First-Principles-Based Microkinetic Models: Approaches and Challenges

Mean-field microkinetic models (MKMs) are appealing for their relatively facile construction, computational tractability, and high-throughput catalyst screening capabilities. As such, they will continue to be a valuable tool for materials design in heterogeneous catalysis even as the field aims to describe more complex systems. Numerous prior reports have provided the groundwork for constructing first-principles-based MKMs, including the analysis of strategies for incorporating lateral interactions into thermodynamic parameters (e.g., adsorption energies). Yet, there remains a need for concerted dialogue on methods for calculating and incorporating coverage-dependent kinetic parameters into MKMs. In this Perspective, we assess strategies for doing so, including the corresponding key physical implications and computational challenges. Here, we emphasize that decoupling thermodynamic and kinetic parameters within MKMs can violate thermodynamic consistency and risk unphysical solutions. For some reactions and catalyst materials, scaling relationships can predict coverage-dependent activation energies, but there are several exceptions evident in the literature, indicating that this approach is not universally applicable and that the field could benefit from research aimed at elucidating the limitations. Conducting high-coverage transition state searches is a rigorous but computationally costly strategy, and the effects of various methods for mitigating this cost on resulting energetics have yet to be broadly explored and validated. The goal of this Perspective is to generate discussion on and inspire focused research into the physical relevance of approaches for describing coverage-dependent reaction barriers in MKMs, including the development of computationally tractable methodologies, to advance the applicability of MKMs across diverse reaction chemistries and conditions.

36 MATERIALS SCIENCE↗

Metagenomic Methods for Addressing NASA's Planetary Protection Policy Requirements on Future Missions: A Workshop Report

Molecular biology methods and technologies have advanced substantially over the past decade. These new molecular methods should be incorporated among the standard tools of planetary protection (PP) and could be validated for incorporation by 2026. To address the feasibility of applying modern molecular techniques to such an application, NASA conducted a technology workshop with private industry partners, academics, and government agency stakeholders, along with NASA staff and contractors. The technical discussions and presentations of the Multi-Mission Metagenomics Technology Development Workshop focused on modernizing and supplementing the current PP assays. The goals of the workshop were to assess the state of metagenomics and other advanced molecular techniques in the context of providing a validated framework to supplement the bacterial endospore-based NASA Standard Assay and to identify knowledge and technology gaps. In particular, workshop participants were tasked with discussing metagenomics as a stand-alone technology to provide rapid and comprehensive analysis of total nucleic acids and viable microorganisms on spacecraft surfaces, thereby allowing for the development of tailored and cost-effective microbial reduction plans for each hardware item on a spacecraft. Workshop participants recommended metagenomics approaches as the only data source that can adequately feed into quantitative microbial risk assessment models for evaluating the risk of forward (exploring extraterrestrial planet) and back (Earth harmful biological) contamination. Participants were unanimous that a metagenomics workflow, in tandem with rapid targeted quantitative (digital) PCR, represents a revolutionary advance over existing methods for the assessment of microbial bioburden on spacecraft surfaces. The workshop highlighted low biomass sampling, reagent contamination, and inconsistent bioinformatics data analysis as key areas for technology development. Finally, it was concluded that implementing metagenomics as an additional workflow for addressing concerns of NASA's robotic mission will represent a dramatic improvement in technology advancement for PP and will benefit future missions where mission success is affected by backward and forward contamination.

59 BASIC BIOLOGICAL SCIENCES↗