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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Hole-transport layer-dependent degradation mechanisms in perovskite solar modules

It is imperative to understand how the design of perovskite solar modules (PSMs) affects their degradation mechanisms and byproducts under environmental stressors to enable their long-term reliability. This work reports on the impact of the hole-transport layer (HTL) on thermal cyclability and degradation mechanisms of p–i–n PSMs by comparing 3 HTLs: NiO x , MeO-2PACz (a self-assembled monolayer), and a bilayer HTL of MeO-2PACz on NiO x . We observe surprising thermal cyclability from a performance standpoint despite generating clear degradation products. We find that without a fully dense HTL, seemingly insignificant moisture/oxygen ingress through the edge of the PSMs can lead to rapid destabilization of the metal halide perovskite (MHP) layer due to reactions between MHP degradation byproducts and the indium-tin oxide layer. We also show that illumination-induced cation phase segregation is dependent on the illumination of an inactive area (regions of the substrate uncovered by the rear electrode). As such, we find that a dense interface between the MHP and ITO is necessary for chemically robust PSMs and highlight criteria for testing field-relevant configurations in lab-scale architectures.

14 SOLAR ENERGY↗
DOE OSTI2022

The Entropic Braiding Index ( eBI ): A Robust Metric to Account for the Diversity of Channel Scales in Multi‐Thread Rivers

Abstract The Braiding Index ( BI ), defined as the average count of intercepted channels per cross‐section, is a widely used metric for characterizing multi‐thread river systems. However, it does not account for the diversity of channels (e.g., in terms of water discharge) within different cross‐sections, omitting important information related to system complexity. Here we present a modification of BI, the Entropic Braiding Index ( eBI ), which augments the information content in BI by using Shannon Entropy to encode the diversity of channels in each cross section. eBI is interpreted as the number of “effective channels” per cross‐section, allowing a direct comparison with the traditional BI . We demonstrate the potential of the ratio BI/eBI to quantify channel disparity, differentiate types of multi‐thread systems (braided vs. anastomosed), and assess the effect of discharge variability, such as seasonal flooding, on river cross‐section stability.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Establishing ZIF‐8 as a reference material for hydrogen cryoadsorption: An interlaboratory study

Abstract Hydrogen storage by cryoadsorption on porous materials has the advantages of low material cost, safety, fast kinetics, and high cyclic stability. The further development of this technology requires reliable data on the H 2 uptake of the adsorbents, however, even for activated carbons the values between different laboratories show sometimes large discrepancies. So far no reference material for hydrogen cryoadsorption is available. The metal‐organic framework ZIF‐8 is an ideal material possessing high thermal, chemical, and mechanical stability that reduces degradation during handling and activation. Here, we distributed ZIF‐8 pellets synthesized by extrusion to 9 laboratories equipped with 15 different experimental setups including gravimetric and volumetric analyzers. The gravimetric H 2 uptake of the pellets was measured at 77 K and up to 100 bar showing a high reproducibility between the different laboratories, with a small relative standard deviation of 3–4 % between pressures of 10–100 bar. The effect of operating variables like the amount of sample or analysis temperature was evaluated, remarking the calibration of devices and other correction procedures as the most significant deviation sources. Overall, the reproducible hydrogen cryoadsorption measurements indicate the robustness of the ZIF‐8 pellets, which we want to propose as a reference material.

08 HYDROGEN↗
DOE OSTI2023

Evaluation of supply air temperature control performance with different control strategies at air handling units

Due to its nonlinear feature, supply air temperature control systems at air handling units using single-loop fixed gain control frequently suffer unstable response under dynamic conditions. This paper is aimed at identifying a more effective control strategy to stabilize the valve control and achieve desirable supply air temperature response under various operation conditions by evaluating three control strategies, cascade, gain scheduling and cascade plus gain scheduling controls. Firstly, a control-oriented model is developed and calibrated through open-loop tests. Then, the control issues with single-loop fixed gain control are evaluated through simulations and field tests, which indicates that the system has more aggressive response or becomes unstable under lower load conditions when the chilled-water flow rate is less than 0.1 L/s. Finally, three control strategies are proposed and evaluated. Further, the results reveal that all three proposed controls can achieve better robustness with the integral square error of supply air temperature decreased to 16%, 47% and 5%, respectively, under lower load condition. However, since high-frequency oscillation of the control valve occurs with cascade and cascade plus gain scheduling control, the gain scheduling control is recommended considering a trade-off among the supply air temperature response, valve lifetime and implementation complexity.

42 ENGINEERING↗
DOE OSTI2026

Hierarchical semi-Markov models with duration-aware dynamics for activity sequences

Residential electricity demand at granular scales is driven by what people do and for how long. Accurately forecasting this demand for applications like microgrid management and demand response therefore requires generative models for activities that can produce realistic daily activity sequences, capturing both the timing and duration of human behavior. This paper develops a generative model of human activity sequences using nationally representative time-use diaries at a 10-min resolution. We use this model to quantify which demographic factors are most critical for improving predictive performance. We propose a hierarchical semi-Markov framework that addresses two key modeling challenges. First, a time-inhomogeneous Markov router learns the patterns of “which activity comes next.” Second, a semi-Markov hazard component explicitly models activity durations, capturing “how long” activities realistically last. To ensure statistical stability when data are sparse, the model pools information across related demographic groups and time blocks. The entire framework is trained and evaluated using survey design weights to ensure our findings are representative of the U.S. population. On a held-out test set, we demonstrate that explicitly modeling durations with the hazard component provides a substantial and statistically significant improvement over purely Markovian models. Furthermore, our analysis reveals a clear hierarchy of demographic factors: Sex, Day-Type, and Household Size provide the largest predictive gains, while Region and Season, though important for energy calculations, contribute little to predicting the activity sequence itself. The result is an interpretable and robust generator of synthetic activity traces, providing a high-fidelity foundation for downstream energy systems modeling.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Ambient Rare Earth Metal Electrodeposition in Nitrogen-Coordinated Silylamide Electrolyte

The transition to a sustainable, low-carbon economy demands energy-efficient and environmentally benign methods for rare earth metal (REM) production. Furthermore, while high-temperature molten salt electrolysis remains energy-intensive, corrosive, and environmentally unfriendly, emerging room-temperature processes based on conventional ionic liquids are also hindered by high viscosity and chemical instability. In this study, a nitrogen-coordinated, water-, oxygen-, and fluorine-free silylamide-based electrolyte is presented as a promising system for room-temperature REM electrodeposition. Derived from commercially available lithium silylamide precursors, the system enables facile synthesis, broad electrochemical stability, and tunable metal–ligand interactions. Electrochemical analysis reveals high voltammetric stripping reversibility, stable cathodic and anodic potentials, and selective neodymium (Nd) deposition at appreciable current densities (>1 mA/cm 2 ), with minimal parasitic reactions. Bulk experiments produced high-purity Nd with reproducible performance across multiple batches. Scaled deposition yielded over 1 g of Nd with near-theoretical mass efficiency (0.40 mg/C) and >90% purity. Using sacrificial dysprosium (Dy) and Nd metal anodes, the system maintained constant Nd loading during extended deposition and enabled cathodic codeposition of stripped anode material, demonstrating the electrolyte’s dual functionality for REM electrorefining. Collectively, this silylamide platform offers a compelling combination of electrochemical robustness, chemical resilience, and process scalability for sustainable ambient REM recovery.

36 - MATERIALS SCIENCE↗
DOE OSTI2022

Benchmarking Solid-State Batteries Containing Sulfide Separators: Effects of Electrode Composition and Stack Pressure

Integrating sulfide separators into solid-state batteries (SSBs) containing high energy cathodes typically requires one or more materials and engineering solutions including: (i) applying interfacial coatings to mitigate electrolyte decomposition, (ii) applying high stack pressures to form robust solid-solid contacts, and (iii) using alloying anodes to avoid Li dendrite formation. Despite the promise of these approaches, a lack of standardized testing protocols makes it difficult to directly compare results among different studies. To address this problem, the present work benchmarks the performance of SSBs containing β-Li 3 PS 4 (LPS) separators and composite cathodes. By systematically varying the anode/cathode composition and stack pressure, this work demonstrates that cathode design is a major bottleneck for solid-state cells cycled at low rates (<100 µA cm -2 ). Operando stack pressure measurements show that, while mechanical confinement generally promotes higher active material utilization and cycling stability, this strategy alone does not address interfacial reactivity between LPS and high voltage cathodes. Here, these results also demonstrate that stress evolution during cycling is dominated by volume changes at the Li metal anode. Finally, we show that FeS 2 cathodes with moderate operating voltages (<3 V vs Li/Li + ) exhibit superior cycling performance compared to high voltage cathodes by facilitating formation of stable cathode/electrolyte interfaces.

25 ENERGY STORAGE↗
DOE OSTI2020

Safe, Low-Cost, High Energy-Density, Solid-State Li-Ion Batteries

We developed intrinsically safe, robust, low-cost, high-energy-density solid-state Li-ion batteries, by integrating high conductivity garnet-type solid Li ion electrolytes and several different cathodes in tailored microstructures, fabricated by low-cost supported thin-film ceramic techniques, to overcome the primary technological barriers to next generation battery technology. In this ARPA-E project we employed Li-garnet solid-state electrolytes pioneered by one of the co-investigators (Thangadurai) which has room temperature (RT) conductivity of ~10 -3 S cm -1 . The highly stable garnet SSE allowed the use of S, NMC, and other cathodes with Li metal anodes without stability or flammability concerns. We studied the garnet’s stability when exposed to CO 2 and humidity (with or without an ALD coating) and showed that the material can be processed in ambient air for most steps prior to battery assembly, significantly reducing production costs. We extensively studied and scaled up the synthesis of the powder and explored external suppliers of garnet to determine the best pathway for commercial success. We used low-cost and scalable tapecasting fabrication methods to create porous-dense-porous “trilayer” solid electrolyte microstructures with a ~20 μm separating dense layer, and >70% porosity porous layers to host the electrodes. These scalable multilayer ceramic fabrication techniques, without need for dry rooms or vacuum equipment, also provide for dramatically reduced manufacturing costs. The tailored microstructured electrode supports (scaffold) increased interfacial area ~50x, overcoming the high impedance typical of planar geometry SSLiBs, resulting in record-setting 10 mA/cm 2 lithium cycling in a symmetric cell. We expanded our tapecasting ability and showed tapes >25m in length by the end of the project. We demonstrated the ability to sinter garnet without the use of a garnet powderbed, which could have been a major obstacle and waste of material at scale. At the same time, we expanded the size of our trilayers from coin cells (0.7 cm 2 ) to the full format design (30 cm 2 ). To develop full cells, we demonstrated 250 Wh/kg at room temperature with commercial NMC electrode films in a bilayer configuration. Similarly, we demonstrated 280 Wh/kg trilayer Li-S cells at room temperature with >90% capacity retention over 300 cycles. At 90°C we demonstrated 350 Wh/kg with a Li-S trilayer. The high thermal stability of the garnet electrolyte also enabled extended cycling (400 cycles) of a Li-TiS 2 cell at 150 °C, showcasing the exceptional safety and nonflammability of the solid-state trilayer batteries. Ion Storage Systems has taken this technology and knowledge to produce trilayer garnet electrolytes and is building out facilities to commercialize high performance solid state batteries. ISS has hired a strong staff, identified and communicated with a large number of potential partners, and successfully secured follow-on funding.

25 ENERGY STORAGE↗
DOE OSTI2026

Characteristics of Fluid‐Solid Interaction Constitutive Models Within Poroelastodynamics at Higher Strain‐Rates and Large Deformations Implemented in 1D

The large deformation, mixed formulation, finite element (FE) modeling approach presented in Irwin et al. 2024 is extended herein to include improved constitutive models for representing dynamic solid-fluid interactions at higher strain rates (𝒪⁢(1⁢0 2 −1⁢0 3 )⁢s −1 ) and larger overpressure magnitudes (𝒪⁡(1⁢0 2 )⁢kPa) within a biphasic soft porous material using Theory of Porous Media (TPM) at finite strain. Specifically, these constitutive modeling improvements are the following: (i) a more physically robust constitutive model for pore fluid seepage velocity via inclusion of pore fluid viscous stress, and (ii) a modified deformation-dependent-permeability model and updated hyperelastic constitutive model better suited for handling larger volumetric compressions and extensions. The novelty of the present work is mainly the contribution (i): inclusion of pore fluid viscous stress at higher strain-rate and large deformations, which requires 𝐶 1 continuity in the weak formulation, accomplished by employing Hermite cubic interpolation functions within a mixed nonlinear poromechanical finite element formulation. In (ii), the model is updated to weakly enforce solid phase incompressibility, such that this assumption is not violated numerically, which provides improved numerical stability for achieving larger overpressure magnitudes on 𝒪⁡(1⁢0 2 ) kPa, which were not achievable with the previous Kozeny–Carman model in Irwin et al. 2024. Also in (ii), the volumetric part of the solid skeleton free energy function is modified to ensure proper bounds on the solid skeleton Jacobian of deformation 𝐽 s related to incompressibility of the solid phase. Uniaxial strain, unidirectional flow examples at higher strain rates (𝒪⁢(1⁢0 2 −1⁢0 3 )⁢s −1 ) and larger deformations (up to 0.2 (or 20%) nominal axial strain) demonstrate the improved physical representation—and numerical stability—of these constitutive model improvements.

42 ENGINEERING↗
DOE OSTI2022

Effect of electrochemical cycling on microstructures of nanocomposite silicon electrodes using hyperpolarized 129 Xe and 7 Li NMR spectroscopy

The microstructural stability of composite electrodes during electrochemical cycling is critically important as it dictates the performance of Li-ion batteries. The issue becomes even more important for the high capacity alloying anode such as silicon that typically exhibits dramatic lithiation–delithiation-induced volume changes. The solid electrolyte interphase (SEI) layer formed on the active electrode surface has a profound effect on the overall microstructural stability of composite electrodes. An ideal SEI layer allows Li+ ions in and out of the electrode, but is an insulator to electrons, preventing the electrolyte from being further reduced. However, the SEI layers formed during initial lithiation may experience changes or degradation with subsequent cycling, adversely affecting the electrode performance. A combination of hyperpolarized 129 Xe and 7 Li nuclear magnetic resonance spectroscopies was applied to probe the microstructures of nanocomposite silicon electrodes at various stages of the lithiation–delithiation cycle. The results obtained from this study shed light on the degradation mechanism of nanocomposite Si electrodes upon electrochemical cycling and should prove useful in the effort to design more robust electrodes in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2024

RANGERS: Methodology Report on Design and Performance Assessment of Engineered Barrier Systems in a Salt Repository for HLW/SNF

Salt formations are one of the potential host rocks for the final disposal of high-level radioactive waste (HLW) in deep geological repositories, both in Germany and the United States. The safe isolation of radioactive waste in these repositories relies on a multi-barrier system, combining engineered and natural barriers. The natural barrier is provided by the salt rock itself, known for its self-sealing properties and long-term stability. The engineered barrier, on the other hand, comprises sealing components strategically placed within the repository to enhance its containment capabilities. In both Germany and the United States, long-term safety assessments require demonstrating the integrity of the natural barrier for a period of up to 1 million years. Concurrently, the engineered barrier system (EBS) must maintain its structural and functional integrity until the long-term sealing, such as the granular salt backfill material, has re-consolidated to its final low porosity and permeability. Based on extensive expertise and experience with engineered barriers in salt formations, BGE TECHNOLOGY GmbH and Sandia National Laboratories have partnered to develop a robust methodology for the integrity and performance assessment of EBS in HLW repositories through the RANGERS project. This collaborative effort aims to establish a unified approach to geotechnical engineering, repository design, integrity and performance evaluation of EBS in salt repositories.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Development of a SnO 2 -based 44 Ti/ 44 Sc generator for medical applications

Towards application of 44 Sc for diagnostic nuclear medicine, a 44 Ti/ 44 Sc generator based on an inorganic resin has been evaluated. Unlike other radionuclide generators used for medical applications, the long-term retention of the parent 44 Ti is vital due to its long half life. In this work, tin dioxide (SnO 2 ), a robust inorganic-based resin, has been synthesized and used as the stationary phase for a 44 Ti/ 44 Sc generator. The sorption behavior of 44 Ti/ 44 Sc was tested on SnO 2 with varying acids, concentrations, and times. Preliminary batch study results showed >88 % 44 Ti retention to the resin at lower acid concentrations (0.05 M HNO 3 and 0.05 M HCl). A pilot generator was evaluated for a year, demonstrating 85.3 ± 2.8 % 44 Sc elution yields and 0.71 ± 0.14 % 44 Ti breakthrough in 5 M HNO 3 . Based on capacity studies, a 7.4 MBq (200 µCi) upscaled generator system was constructed for further evaluation of the SnO 2 resin stability and the efficacy of the eluted 44 Sc for radiolabeling. 44 Sc could be regularly eluted from this generator in 5 M HNO 3 with an overall average radiochemical yield 84.7 ± 9.5 %. Post-elution processing of the 44 Sc with DGA-normal resin removed all 44 Ti present and allowed for high 44 Sc-DOTA labeling yields of 94.2 ± 0.5 %. Overall, SnO 2 has been shown to be a viable material for a 44 Ti/ 44 Sc generator.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2023

Impact of Open Communication Networks on Load Frequency Control with Plug-In Electric Vehicles by Cyber-Physical Dynamic Co-Simulation

With the increasing electrification of the transportation sector to achieve the carbon neutrality objective, despite the challenges of charging electric vehicles (EV), there are also opportunities through smart charging EVs to improve system frequency stability; however, EV control technologies might require nontraditional communication support. This paper investigates the impacts of communication variations of EV on power system load frequency control through a cyber-physical dynamic system (CPDS) co-simulation. Here, the CPDS is built upon our previously developed transmission-and-distribution dynamic co-simulation model with the added communication variation functions (i.e., delay and packet loss). The case studies consider multiple communication variation scenarios when the system experiences an N-1 generation trip contingency. The scenarios include communication delays and packet loss using both homogeneous and heterogeneous assumptions. The outcomes of this work can help improve EV frequency regulation services and provide robust and effective tests for different load frequency control algorithms of the future power systems.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
DOE OSTI2020

Achieving a robust grassy-ELM operation regime in CFETR

We have identified a robust grassy-edge localized mode (ELM) operation regime for future tokamak reactors. The regime exists within a pedestal top electron collisionality (ν*) window at high global poloidal beta (β p ). The existence of an upper ν* limit for grassy-ELMs is consistent with results previously reported in experiments (Oyama et al 2010 Nucl. Fusion 50 064014), while the existence of a lower ν* limit has not been reported previously. Using EPED and BOUT++, a theoretical model that quantitatively explains the physics of the grassy-ELMs within the window, which distinguishes them from the small mixed-ELMs at lower ν*, is presented for the first time. A peeling-ballooning stability boundary is obtained by scanning the operating density space. The change in density corresponds to a change in ν* that affects the pedestal bootstrap current. High β p leads to a strong Shafranov shift, which affects the flux surface averaged pressure drive. The two effects combine to create a peeling-dominated window in intermediate ν* buffered by ballooning-dominated regimes. Only the peeling-dominated regime shows a cyclic behavior in the perturbed pressure during the nonlinear simulation of an ELM crash, reminiscent of grassy-ELM dynamics. Similarly, the energy released across the separatrix is demonstrated to be significantly smaller. The quick recovery of the ELM crash is explainable by the rapid rise of a low n kink-peeling instability when the pedestal current I ped exceeds a threshold at high β p . It minimizes the excursion beyond marginal stability and is absent in the ballooning-dominated regime. Comparison with recent experiments over a range of β p and ν* strongly supports the physical picture proposed by the modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Tuning Fabrication Factors for Reduced Graphene Oxide Forward Osmosis Membranes

Forward osmosis (FO) may serve as a near-zero energy approach for wastewater management and selective chemical enrichment with an appropriate FO membrane. There is a need for novel FO membranes with better physical stability, chemical compatibility, and enhanced reverse flux selectivity. In this work, we have systematically studied a variety of factors for fabricating thermally reduced graphene oxide (RGO) FO filtration membranes and have demonstrated that with a comparable water flux, the RGO membranes have an exceptionally large reverse flux selectivity with 1.5 M sodium sulfate draw solution, about 7 times larger than that of cellulose triacetate membranes under the same testing condition. The interlayer spacing of the membranes can be fine-tuned by varying temperatures, so that the free interlayer spacing is less than 0.7 nm after exposure to water. The RGO-based membranes offer a few advantages with high reverse flux selectivity, mechanical robustness with strong adhesion to nylong support membranes without damage after FO tests and tape peel tests, and enhanced chromate and chlorine resistance. Finally, we have further demonstrated that in the FO processes, one can concentrate waste brine while simultaneously harvesting the osmotic energy as electricity, offering potential applications of forward osmosis-based osmotic batteries for powering electronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Redesigned Hybrid Nylons with Optical Clarity and Chemical Recyclability

Aliphatic polyamides, or nylons, are typically highly crystalline and thermally robust polymers used in high-performance applications. Nylon 6, a high-ceiling-temperature (HCT) polyamide from e-caprolactam, lacks expedient chemical recyclability, while low-ceiling temperature (LCT) nylon 4 from pyrrolidone exhibits complete chemical recyclability, but it is thermally unstable and not melt-processable. Here, we introduce a hybrid nylon, nylon 4/6, based on a bicyclic lactam composed of both HCT ..epsilon..-caprolactam and LCT pyrrolidone motifs in a hybridized offspring structure. Hybrid nylon 4/6 overcomes trade-offs in (de)polymerizability and performance properties of the parent nylons, exhibiting both excellent polymerization and facile depolymerization characteristics. This stereoregular polyamide forms nanocrystalline domains, allowing optical clarity and high thermal stability, however, without displaying a melting transition before decomposition. Of a series of statistical copolymers comprising nylon 4/6 and nylon 4, a 50/50 copolymer achieves the greatest synergy in both reactivity and polymer properties of each homopolymer, offering an amorphous nylon with favorable properties, including optical clarity, a high glass transition temperature, melt processability, and full chemical recyclability.

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

Image-enhanced bipolaron formation at organic semiconductor/electrode interfaces

We explore the image charge interaction for organic semiconductor bipolarons near a conducting interface and find that the cross term between one of the constituent charges and the image of its neighbor stabilizes the bipolaron by up to ~0.3 eV, dramatically increasing the concentration of this species near the interface. Using density functional theory calculations for the common hole transport molecule N,N'-bis(3-methylphenyl)- N,N'-diphenylbenzidine, we validate a simple point charge description of this effect and incorporate it within an interface energy level alignment model to predict the density of polarons and bipolarons near the interface. We find that the image effect greatly enhances bipolaron formation in the first few monolayers, leading to the expectation that bipolarons account for more than 1% of the total interface charge in many cases of practical interest. Furthermore, this result reinforces the notion that bipolarons are robust near the contacts of many organic semiconductor devices and thus helps to rationalize their involvement in the phenomenon of unipolar organic magnetoresistance.

36 MATERIALS SCIENCE↗