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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Collaborative Design of Robust Adaptation Pathways for Urban Flooding Resilience in Baltimore

Urban pluvial flooding poses a growing threat to the city of Baltimore, driven by changes in climate and rainfall, increased impervious area, aging infrastructure, and severe social inequity. Adaptations to urban flooding should strengthen community-scale resilience while navigating the uncertainties associated with future actions. However, the highly uncertain future climate and conflicting stakeholder objectives complicate the selection of effective and socially acceptable strategies. This study addresses these challenges through a community-informed Multi Objective Robust Decision Making (MORDM) process, coupled with Dynamic Adaptation Policy Pathways (DAPP). Community stakeholders are engaged on a large scale through community partnerships, including priority identification sessions, focus groups, and metric identification workshops. The combination of community partnership, MORDM, and DAPP will create an original set of adaptation pathways which are aligned with community goals and values, and furthermore are adjustable under changing future constraints and conditions. This framework will enhance the city's capacity to respond to evolving pluvial flood conditions while accounting for diverse stakeholder interests and will provide guidance for addressing both the immediate and long-term challenges of urban flooding in Baltimore.

BSEC↗
DOE OSTI2025

Extending Shared Socioeconomic Pathways to Future Water Supply In-frastructure Scenarios: A Case Study of San Antonio, TX

Datasets supporting findings and visualization behind Okoye and McManamay (2025) Extending Shared Socioeconomic Pathways to Future Water Supply Infrastructure Scenarios: A Case Study of San Antonio, TX. Environmental Research Communications, DOI: 10.57931/2563186 These datasets contains the results of a site selection analysis for municipal water supply planning across multiple Shared Socioeconomic Pathways (SSPs 1–5) and hard scenario classification of water systems in San Antonio, TX. It includes data at the resolution of individual surface water supply sources (COMIDs) and integrates a wide range of hydrologic, socioeconomic, infrastructural, and scenario-based planning variables. Please refer to the README file provided in Files for more details. Descriptions of the datasets are provided below. Dataset(s) Descriptions: Dataset_SSP1_SSP4.xlsx - Contains data used for site selection optimization under SSP1 to SSP4. This dataset was generated based on multi-indicator computations (e.g., WAI, WQI, ERI, WTC, WIC), scenario demand projections, and resource and spatial constraints, excluding new reservoir values. Dataset_SSP5.xlsx - Used for site optimization under SSP5. Unlike Dataset_SSP1_SSP4, this dataset includes new reservoir features with updated calculations of WAI, WTC, and WIC to reflect the added infrastructure and supply potential. hard_classification.xlsx - Provides the scenario classification output for each site. Includes both the initial scenario classification based on Euclidean Distance and adjusted classifications based on 30% change reduction BAU.zip - Zipped folder of .shp files showing spatially optimized water supply sites per SSP under the Business-As-Usual (BAU) water demand strategy LowGW.zip - Zipped folder of .shp files showing optimized site selections under the Low Groundwater strategy

geospatial↗
DOE OSTI2024

Pathways to commercial building plug and process load efficiency and control

Abstract To accomplish net-zero carbon emissions in the built environment by 2050, we must equitably decarbonize commercial buildings, including reducing plug and process loads (PPLs). PPLs are plug-in or hardwired electric and gas loads that are not associated with major building end uses like lighting and HVAC. Research shows PPL energy reduction strategies and control technologies have the potential to save energy. But even when implemented, these savings have rarely been achieved and there has not been widespread uptake in U.S. commercial buildings. We investigate why these technologies and strategies have not seen widespread adoption and identify behavior and technology pathways to increase PPL reduction in U.S. commercial buildings. We examined behaviors of commercial building stakeholders through 44 interviews and cross-referenced qualitative analysis findings with in-depth technical knowledge of existing PPL control technologies and reduction strategies. PPL control implementation must be paired with management strategies, such as occupant engagement and training, to achieve optimal savings, and best practices should be disseminated across the industry. We found that increasing access to cost and energy savings data will promote uptake of PPL control technologies and allow designers to better incorporate PPLs into building design. Improving access to funding for PPL energy efficiency projects and addressing the split-incentive problem will increase adoption of PPL efficiency and control. Code bodies should continue to include PPL monitoring and reduction measures in energy codes. Key building stakeholders, including cybersecurity and information technology teams, should be involved in PPL monitoring and reduction strategy processes for successful implementation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Comparing net zero pathways across the Atlantic A model inter-comparison exercise between the Energy Modeling Forum 37 and the European Climate and Energy Modeling Forum

Europe and North America account for 32 % of current carbon emissions. Due to distinct legacy systems, energy infrastructure, socioeconomic development, and energy resource endowment, both regions have different policy and technological pathways to reach net zero by the mid-century. Against this background, our paper examines the results from the net zero emission scenarios for Europe and North America that emerged from the collaboration of the European and American Energy Modeling Forums. Here, in our analysis, we perform an inter-comparison of various integrated assessments and bottom-up energy system models. A clear qualitative consensus emerges on five main points. First, Europe and the United States reach net zero targets with electrification, demand-side reductions, and carbon capture and sequestration technologies. Second, the use of carbon capture and sequestration is more predominant in the United States due to a steeper decarbonization schedule. Third, the buildings sector is the easiest to electrify in both regions. Fourth, the industrial sector is the hardest to electrify in the United States and transportation in Europe. Fifth, in both regions, the transition in the energy mix is driven by the substitution of coal and natural gas with solar and wind, but to a different extent.

100 % renewables↗
DOE OSTI2025

Microbial Pathways for Cost-Effective Low-Carbon Renewable Indigoidine

Indigoidine is a bioadvantaged platform molecule with diverse applications, including use as a textile dye, biotransistor, biosolar cell, biosensor, and food coloring. There are multiple microbial hosts and carbon sources that can be used and optimized for its production, yet there is limited guidance for which options have the greatest commercial potential. Here, we consider five different host microbes and combine genome-scale metabolic models with techno-economic and lifecycle assessment models. Pseudomonas putida currently outperforms synthetic indigo production and other indigoidine-producing hosts, using glucose, xylose, and lignin-derived aromatics to produce indigoidine at a minimum selling price of $2.9/kg and a greenhouse gas (GHG) footprint of 3.5 kgCO 2e /kg. Optimizing pathways-achieving 90% of the theoretical indigoidine yield from sugars and aromatics-can reduce costs 6-7-fold and GHG emissions 3-10-fold. From a cost perspective, microbes that co-utilize aromatics are advantageous, while selecting hosts that coproduce other value-added molecules can reduce GHG emissions. System-wide improvements and the use of a low-cost, low-carbon nitrogen source are crucial for commercial viability in all cases.

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

A Perspective on Pathways Toward Commercial Sodium‐Ion Batteries

Lithium-ion batteries (LIBs) have been widely adopted in the automotive industry, with an annual global production exceeding 1000 GWh. Despite their success, the escalating demand for LIBs has created concerns on supply chain issues related to key elements, such as lithium, cobalt, and nickel. Sodium-ion batteries (SIBs) are emerging as a promising alternative due to the high abundance and low cost of sodium and other raw materials. Nevertheless, the commercialization of SIBs, particularly for grid storage and automotive applications, faces significant hurdles. This perspective article aims to identify the critical challenges in making SIBs viable from both chemical and techno-economic perspectives. First, a brief comparison of the materials chemistry, working mechanisms, and cost between mainstream LIB systems and prospective SIB systems is provided. The intrinsic challenges of SIBs regarding storage stability, capacity utilization, cycle stability, calendar life, and safe operation of cathode, electrolyte, and anode materials are discussed. Furthermore, issues related to the scalability of material production, materials engineering feasibility, and energy-dense electrode design and fabrication are illustrated. Finally, promising pathways are listed and discussed toward achieving high-energy-density, stable, cost-effective SIBs.

25 ENERGY STORAGE↗
DOE OSTI2026

Understanding Recombination Pathways of CdSeTe/CdTe Devices Using Temperature Dependence of Fill Factor

Understanding the temperature dependence of photovoltaic parameters is critical for identifying performance limiting mechanisms in CdTe-based solar cells. In this study, we investigate the temperature dependence of fill factor (FF(T)) in CdSeTe/CdTe solar cells using a combination of experimental current density-voltage (JV) measurements and numerical simulations. The measured FF(T) exhibits a nonlinear response with temperature, peaking at moderate temperature values (10–30°C). Through numerical modeling, we reveal that this peaking behavior in FF(T) arises when the dominant recombination mechanism transitions from bulk to interface with increasing temperature. This transition is primarily driven by low hole mobility (0.6–1.2 cm2/V·s), while electron mobility, interface recombination velocities, and carrier lifetime also contribute to the effect. Our findings demonstrate that FF(T) analysis is a promising diagnostic tool for distinguishing recombination pathways and guiding the optimization of thin-film CdTe solar cells under real-world conditions.

CdTe photovoltaics↗
DOE OSTI2025

Revealing a Pathway for Low-Temperature Recrystallization in Germanium

Thermally activated annealing in semiconductors faces inherent limitations, such as dopant diffusion. Here, a nonthermal pathway is demonstrated for a complete structural restoration in predamaged germanium via ionization-induced recovery. By combining experiments and modeling, this study reveals that the energy transfer of only 2.4 keV nm −1 from incident ions to target electrons can effectively annihilate pre-existing defects and restore the original crystalline structure at room temperature. Moreover, it is revealed that the irradiation-induced crystalline-to-amorphous (c/a) transformation in Ge is reversible, a phenomenon previously considered unattainable without additional thermal energy imposed during irradiation. For partially damaged Ge, the overall damage fraction decreases exponentially with increasing fluence. Surprisingly, the recovery process in preamorphized Ge starts with defect recovery outside the amorphous layer and a shrinkage of the amorphous thickness. After this initial stage, the remaining damage decreases slowly with increasing fluence, but full restoration of the pristine state is not achieved. These differences in recovery are interpreted in the framework of structural differences in the initial defective layers that affect recovery kinetics. This study provides new insights on reversing the c/a transformation in Ge using highly-ionizing irradiation and has broad implications across materials science, radiation damage mitigation, and fabrication of Ge-based devices.

athermal recovery↗
DOE OSTI2024

An efficient cre‐based workflow for genomic integration and expression of large biosynthetic pathways in Eubacterium limosum

Abstract Acetogenic Clostridia are obligate anaerobes that have emerged as promising microbes for the renewable production of biochemicals owing to their ability to efficiently metabolize sustainable single‐carbon feedstocks. Additionally, Clostridia are increasingly recognized for their biosynthetic potential, with recent discoveries of diverse secondary metabolites ranging from antibiotics to pigments to modulators of the human gut microbiota. Lack of efficient methods for genomic integration and expression of large heterologous DNA constructs remains a major challenge in studying biosynthesis in Clostridia and using them for metabolic engineering applications. To overcome this problem, we harnessed chassis‐independent recombinase‐assisted genome engineering (CRAGE) to develop a workflow for facile integration of large gene clusters (>10 kb) into the human gut acetogen Eubacterium limosum . We then integrated a non‐ribosomal peptide synthetase gene cluster from the gut anaerobe Clostridium leptum , which previously produced no detectable product in traditional heterologous hosts. Chromosomal expression in E. limosum without further optimization led to production of phevalin at 2.4 mg/L. These results further expand the molecular toolkit for a highly tractable member of the Clostridia, paving the way for sophisticated pathway engineering efforts, and highlighting the potential of E. limosum as a Clostridial chassis for exploration of anaerobic natural product biosynthesis.

Sanford, Patrick A.↗
DOE OSTI2024

Selective Covalent Basal Plane Modification as a Probe of Hydroxide Ion Conduction Pathways in Magnesium Aluminum Layered Double Hydroxides

Understanding ionic conduction in layered double hydroxides (LDHs) is a crucial step towards utilizing them as solid, hydroxide ion‐conducting electrolytes in energy conversion applications. We selectively modified the interlayer and external surfaces of MgAl LDHs with tris(hydroxymethyl)aminomethane (TRIS) ligands. By adjusting the concentration of the TRIS surface modifier, the LDH basal plane surfaces could be functionalized everywhere (internally and externally) or only externally. External modification resulted in loss of OH‐conductivity compared to pristine LDHs, confirming that external platelet surfaces are the primary ion conduction pathway.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Hierarchically Structured Catalysts Toward Sustainable Hydrogen Economy: Electro‐ and Thermo‐Chemical Pathways

Abstract Hydrogen, as an important clean energy source, plays a more and more crucial role in decarbonizing the planet and meeting the global climate challenge due to its high energy density and zero‐emission. The demand for sustainable hydrogen is increasing drastically worldwide as driven by the global shift towards low‐carbon energy solutions. Thermochemical catalysis process dominates hydrogen production at scale given its relatively mature technology and commercialization status, as well as the established manufacturing infrastructure. While due to its environmentally friendly nature and growing abundant sources of renewable electricity, the electrochemical path for hydrogen production is rising as a major alternative to the thermochemical means. Nevertheless, hierarchically structured catalysts and devices have gradually taken the center stage toward replacing the traditional counterparts, especially with the rapid advancement of the design and manufacture of such ordered nanostructure assemblies toward high activity, efficient mass transport, and superb stability. In this review, the latest progress of the hierarchically structured catalysts for hydrogen production have been surveyed on electro‐ and thermo‐ chemical pathways comparatively. It covers the structure designs of atomic dispersion, nanoscale surfaces and interfaces for achieving highly active and durable catalysts, components, and devices. Both electrochemical and thermochemical approaches are reviewed in terms of the vast design details, engineered benefits, and understandings of various Pt‐group metal (PGM) and non‐PGM based transition metal catalysts for hydrogen production. As the growing trend, brief discussions are also presented toward the high‐level assembly and manufacture of complexly structured components and devices at scale in the electrochemical and thermochemical energy systems.

Deng, Chenxin↗
DOE OSTI2025

Experimental Pathways for Detecting Double Superionicity in Planetary Ices

The ice giant planets Uranus and Neptune are assumed to contain large amounts of planetary ices such as water, methane, and ammonia. The properties of mixtures of such ices at the extreme pressures and temperatures of planetary interiors are not yet well understood. Ab initio computer simulations have predicted that a number of ices exhibit a hydrogen superionic state and a doubly superionic state. Since the latter state has not yet been generated with experiments, we outline here two possible pathways for reaching and detecting such a state with dynamic compression experiments. Here, we suggest X-ray diffraction as the principal tool for detecting when the material becomes doubly superionic and the sublattice of one of the heavy nuclei melts. That would require a temperature of ~3500 K and pressures greater than ~200 GPa for H 3 NO 4 , which we use as an example material here. Such conditions can be reached with experiments that employ an initial shock that is followed by a ramp compression wave. Alternatively, one may use triple-shock compression because a single shock does not yield sufficiently high densities.

Neptune↗
DOE OSTI2024

Multiple Pathways of Influence for Tightly and Loosely Structured Organizations: Implications for Systems Resilience

Organizations play a key role in supporting various societal functions, ranging from environmental governance to the manufacturing of goods. Here, the behaviors of organization are impacted by various influences, including information, technology, authority, economic leverage, historical experiences, and external factors, such as regulations. This paper introduces a generalized framework, focused on the relative structure of an organization (tight vs. loose), that can be used to understand how different influence pathways can impact decision-making within differently structured organizations. This generalized framework is then translated into a modeling and simulation platform to support and assess implications of these structural differences in resilience to disinformation (measured by organizational behaviors of timeliness and inclusion of quality information) using a systems dynamics approach Preliminary results indicate that a tightly structured organization may be less timely at processing information but could be more resilient against using poor quality information in organizational decisions compared to a loosely structured organization. Ongoing work is underway to understand the robustness of these findings and to validate current model design activities with empirical insights.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2024

In-Depth Proteome Profiling of the Hippocampus of LDLR Knockout Mice Reveals Alternation in Synaptic Signaling Pathway

The low-density lipoprotein receptor (LDLR) is a major apolipoprotein receptor that regulates cholesterol homeostasis. LDLR deficiency is associated with cognitive impairment by the induction of synaptopathy in the hippocampus. Despite the close relationship between LDLR and neurodegenerative disorders, proteomics research for protein profiling in the LDLR knockout (KO) model remains insufficient. Therefore, understanding LDLR KO-mediated differential protein expression within the hippocampus is crucial for elucidating a role of LDLR in neurodegenerative disorders. In this study, we conducted first-time proteomic profiling of hippocampus tissue from LDLR KO mice using tandem mass tag (TMT)-based MS analysis. LDLR deficiency induces changes in proteins associated with the transport of diverse molecules, and activity of kinase and catalyst within the hippocampus. Additionally, significant alterations in the expression of components in the major synaptic pathways were found. Furthermore, these synaptic effects were verified using a data-independent acquisition (DIA)-based proteomic method. In conclusion, our data will serve as a valuable resource for further studies to discover the molecular function of LDLR in neurodegenerative disorders.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Deacetylation and Mechanical Refining Pathway for the Bioconversion of Sugarcane Bagasse

Advancing lignocellulose biorefining is imperative for the deployment of cellulosic (2G) biofuels. This work investigates the tailoring of the alkaline deacetylation and mechanical refining (DMR) pathway for the bioconversion of sugarcane bagasse. Experiments are conducted at laboratory and pilot scales, varying the pretreatment conditions (70–92 °C; 48–100 g NaOH /kg) and the mechanical refining technologies (PFI and disk refining). The pretreatments selectively solubilize acetyl groups (> 86%) and lignin (10–63%) while mostly preserving structural carbohydrates in the solid phase. Enzymatic hydrolysis generates hydrolysates of clean sugars (glucose and xylose), with sugar yields increasing up to 81% for glucose and 89% for xylose in response to delignification and mechanical refining. Biochemical methane potential assays reveal specific methane productions of up to 568 NmL CH₄ gVS⁻¹ for alkaline liquor monodigestion and 344 NmL CH₄ gVS⁻¹ for co-digestion with sugarcane vinasse from the conventional (1G) sugarcane ethanol, indicating a strong potential for bioenergy recovery from this process stream. Synergies are identified in integrating 1G ethanol, 2G DMR processing of bagasse, and anaerobic co-digestion of 1G vinasse and 2G DMR alkaline liquor. This technology enables sugarcane biorefineries to enhance the co-production of ethanol, methane, and concentrated streams of CO 2 .

09 BIOMASS FUELS↗
DOE OSTI2026

Actinium–DOTA coordination in water from hybrid ML/MM: Structure, free energies, and water-exchange pathways

Quantitative simulation of trivalent ƒ-block chelates in water remains challenging because bonded and non-bonded force-field models make different approximations for coordination structure, exchange dynamics, and ion–ligand interactions in highly charged systems. Here, we develop a hybrid machine-learning/molecular-mechanics (ML/MM) framework for Ac 3+ –DOTA in explicit solvent by training an E(3)-equivariant neural network potential (MACELES) on mechanically embedded QM/MM data for Ac aquo and Ac–DOTA species and coupling it to NAMD 2.14 with particle-mesh Ewald electrostatics. Nanosecond ML/MM trajectories remain numerically stable and preserve chelate integrity, yielding a compact DOTA inner shell with an inner-sphere water coordination number of CN Ac,O w ≈ 1.7 arising from a dynamic equilibrium between one- and two-water states (37.5% and 59.9% of frames; three waters 2.5%). A 5 ns potential of mean force shows two low-lying basins at CN Ac,O w ≈ 1 and CN Ac,O w ≈ 2. DFT end-state free energies are consistent with the ML/MM profile, and DFT minimum-energy paths provide a qualitative electronic-structure reference for the observed basin connectivity. State-resolved kinetics reveal picosecond water-exchange pathways that couple hydration changes to transient DOTA arm fluctuations, and training-set comparisons show that temperature-matched Ac–DOTA data optimize energy/force accuracy while more diverse solvated data improve charge prediction. Overall, the present hybrid ML/MM model provides a practical description of Ac 3+ –DOTA hydration thermodynamics and short-time exchange behavior in explicit water at MD-like cost.

Actinium↗
DOE OSTI2026

Electric-vehicle battery second-life and recycling pathways: How economics depend on chemistry, processing, and application

We assess the economics of repurposing and recycling electric vehicle (EV) batteries by estimating the maximum acquisition price repurposers and recyclers could pay for used EV packs across cathode chemistries, first-life conditions, second-life applications, and recycling processes. We develop a novel open-source process-based cost model of a UL-1974-certified repurposing facility and leverage battery degradation models to estimate the maximum acquisition price repurposers could pay for used EV batteries while producing second-life battery energy storage systems with life-adjusted costs equivalent to new systems. We compare these maximum price estimates to maximum prices for recyclers based on cost and revenue estimates from the EverBatt model. We find that repurposing is more economical than recycling for lithium iron phosphate (LFP) batteries, due to their relatively long life and low value materials; recycling is generally more economical than repurposing for lithium nickel cobalt aluminum oxide (NCA) batteries, due to their shorter life and higher value materials; and the economics for lithium nickel manganese cobalt oxide (NMC) batteries depend more heavily on first life retirement conditions and second life application intensity. These results suggest an overall strategy: reuse LFP, recycle NCA, and sort NMC into recycling or repurposing pathways based on state of health and second-life application.

25 ENERGY STORAGE↗
DOE OSTI2025

Multi-objective optimization of sustainable aviation fuel production pathways in the U.S. Corn Belt

As a potential source of low-carbon transportation energy, biofuels offer certain advantages over vehicle electrification (e.g., lower societal vulnerability to grid failures, and improved range of sustainable aviation), but also several challenges, including cost, carbon intensity, and land usage. There are also well-founded concerns that biofuel supply chains could be disrupted if extreme weather events impact feedstock yields. In this paper, we explore the use of multi-objective optimization to identify biofuel production pathways that balance cost, greenhouse gas emissions, and supply vulnerability to extreme weather. We compare the use of three different many-objective evolutionary algorithms and linear programming in optimizing biomass cultivation decisions in the U.S. Corn Belt under weather uncertainty using historical, modeled, and synthetic yield data. We consider four feedstock choices (corn, soy, switchgrass, and algae) with two land types (agricultural and marginal lands) and evaluate decisions using three alternative spatial resolutions (ranging from the USDA agricultural district level to the state level). Results show that feedstock choice is the primary driver of objective performance (i.e., the position and shape of 3D, approximate Pareto frontiers). Spatial diversification is a less effective tool in reducing exposure to weather-caused drops in crop yield.

09 BIOMASS FUELS↗