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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Stability of tropical forest tree carbon-water relations in a rainfall exclusion treatment through shifts in effective water uptake depth

Increasing severity and frequency of drought is predicted for large portions of the terrestrial biosphere, with major impacts already documented in wet tropical forests. Using a 4-year rainfall exclusion experiment in the Daintree Rainforest in northeast Australia, we examined canopy tree responses to reduced precipitation and soil water availability by quantifying seasonal changes in plant hydraulic and carbon traits for 11 tree species between control and drought treatments. Even with reduced soil volumetric water content in the upper 1 m of soil in the drought treatment, we found no significant difference between treatments for predawn and midday leaf water potential, photosynthesis, stomatal conductance, foliar stable carbon isotope composition, leaf mass per area, turgor loss point, xylem vessel anatomy, or leaf and stem nonstructural carbohydrates. While empirical measurements of aboveground traits revealed homeostatic maintenance of plant water status and traits in response to reduced soil moisture, modeled belowground dynamics revealed that trees in the drought treatment shifted the depth from which water was acquired to deeper soil layers. Finally, these findings reveal that belowground acclimation of tree water uptake depth may buffer tropical rainforests from more severe droughts that may arise in future with climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Janthinobacter additions reduce rotifer grazing of microalga Microchloropsis salina in biotically complex communities

Grazing and parasitism in algal production systems are significant causes of crop loss. Biological control of algal ponds, such as application of protective bacteria, represents a promising alternative to current mitigation strategies. The major barriers to probiotic methods are the lack of identified protective bacteria and uncertainty of scale-up effects, including potential negative interactions with the resident algal microbiome. Here, we report that application of Janthinobacter lividum affords robust protection against rotifer (Brachionus plicatilis) grazing on Microchloropsis salina. Protection was observed at laboratory scale from live bacteria and solvent extract additions as well as in biologically complex communities from bacterial additions to outdoor mesocosms. J. lividum persisted in outdoor communities for at least 3 days following addition, and did not lead to selective exclusion of specific taxa in the resident microbiome. These results demonstrate that J. lividum can provide protection against grazers in these diverse communities, without severe effects on the resident microbiome. Our results suggest that J. lividum is a promising treatment to mitigate algal crop losses due to pests. Additionally, the study highlights the importance of an ecologically-informed approach to algal crop management that will aid future applications in the biological control of algal ponds.

09 BIOMASS FUELS↗
DOE OSTI2024

Suppressed deprotonation enables a durable buried interface in tin-lead perovskite for all-perovskite tandem solar cells

Low-band-gap tin (Sn)-lead (Pb) perovskites are a critical component in all-perovskite tandem solar cells (APTSCs). Current state-of-the-art Sn-Pb perovskite devices exclusively use poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) as the hole-transport layer (HTL) but suffer from undesired buried-interface degradation. Here, we show that the deprotonation of the –SO 3 H group in PSS is the root cause of the interface degradation due to its low acid dissociation constant (pK a ), leading to acidic erosion and iodine volatilization in Sn-Pb perovskites. We identify that HTL featuring the carboxyl (–COOH) group with a higher pK a , such as poly[3-(4-carboxybutyl)thiophene-2,5-diyl] (P3CT), can suppress deprotonation and strengthen the interface, mitigating the buried-interface degradation. Motivated by established P3CT modification, we introduce Pb doping to P3CT to increase its work function and reduce interfacial energy loss. Furthermore, we fabricate APTSCs with a champion efficiency of 27.8% and an operational lifetime of over 1,000 h, with 97% retaining efficiency under maximum power point tracking.

08 HYDROGEN↗
DOE OSTI2024

Efficient simulations of charge density waves in the transition metal Dichalcogenide TiSe 2

Charge density waves (CDWs) in transition metal dichalcogenides are the subject of growing scientific interest due to their rich interplay with exotic phases of matter and their potential technological applications. Here, using density functional theory with advanced meta-generalized gradient approximations (meta-GGAs) and linear response time-dependent density functional theory (TDDFT) with state-of-the-art exchange-correlation kernels, we investigate the electronic, vibrational, and optical properties in 1T-TiSe 2 with and without CDW. In both bulk and monolayer TiSe 2 , the electronic bands and phonon dispersions in either normal or CDW (semiconducting) phase are described well via meta-GGAs, which separate the valence and conduction bands just as HSE06 does but with significantly more computational feasibility. The experimentally observed humps of electron energy loss spectroscopy are successfully reproduced in TDDFT. Our work opens the door to simulating these complexities in CDW compounds from first principles by revealing meta-GGAs as an accurate low-cost alternative to HSE06.

Electronic properties and materials↗
DOE OSTI2021

Revisiting the role of Zr doping in Ni-rich layered cathodes for lithium-ion batteries

We report the realization of high performance Ni-rich layered cathodes remains a challenge because of the multiple degradation factors that concurrently operate during battery cycling. In particular, depletion of oxygen charge and consequent lattice oxygen instability at deep charge state accelerate the subsequent chemomechanical degradation mechanisms. Among the proposed methodologies, doping has proven to be effective in enhancing the cathode cycle life by stabilizing the layered structure. Herein, we achieved the electrochemically stabilized Ni-rich LiNi 0.92 Co 0.04 Mn 0.04 O 2 through Zr doping, resulting in a 15% increase of the capacity retention after 100 cycles. In-depth investigations are conducted to unveil the effects of Zr doping on the layered cathode, and in particular, the critical role of Zr doping on the lattice oxygen stability is systematically studied. By combining state-of-the-art magnetometer characterization, X-ray analysis, and first-principles calculation, we reveal that Zr doping positively contributes the to lattice oxygen stability by alleviating the oxygen charge loss at deep charge, thereby improving the cathode electrochemical reversibility. Our findings provide an insight into the Zr doping mechanism and help to design the Ni-rich layered oxides for future applications.

25 ENERGY STORAGE↗
DOE OSTI2024

Design of a 140 GHz waveguide notch filter for millimeter-wave receiver module protection in fusion plasma diagnostics

A carefully designed waveguide-based millimeter-wave notch filter, operating at 140 GHz, safeguards plasma diagnostic instruments from gyrotron leakage. Here, utilizing cylindrical cavity resonators with aperture coupling, the filter efficiently resonates 140 GHz wave-power into the TE 11p mode, optimizing various geometrical parameters for practical fabrication and high-yield production. Thorough thermal analysis ensures its ability to handle power. The filter achieves outstanding performance with over 90 dB rejection at 140 GHz while providing low insertion loss over the passband (110–138 GHz), which is ideally suited for system-on-chip approach F-band diagnostic system applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

A substantial role of soil erosion in the land carbon sink and its future changes

Realistic representation of land carbon sink in climate models is vital for predicting carbon climate feedbacks in a changing world. Although soil erosion that removes land organic carbon has increased substantially since the onset of agriculture, it is rarely included in the current generation of climate models. Using an Earth system model with soil erosion represented, we estimated that on average soil erosion displaces 5% of newly fixed land organic carbon downslope annually in the continental US. In the lower Mississippi river basin and the Cascades, the fraction can be as large as 40%. About 12% of the eroded organic carbon is eventually exported to inland waters, which is equal to 14% of the simulated net carbon gain by terrestrial ecosystems. By comparing the eroded organic carbon export to rivers with the particulate organic carbon export to oceans, we demonstrated that a large fraction of the carbon export to rivers could have been mineralized in inland waters. Importantly, with a direct comparison of eroded and exported soil organic carbon and land net carbon uptake, we found that Earth system models that ignore soil erosion likely offset the erosional carbon loss by increasing heterotrophic respiration implicitly. But as soil erosion and heterotrophic respiration respond differently to a warming climate, this unrealistic compensation would lead to biased predictions of future land carbon sink.

Tan, Zeli↗
DOE OSTI2022

Uncertainty Quantification for Dissimilar Material Joints Under Corrosion Environment

Abstract Self-Piercing Riveting (SPR) is one of the most commonly used methods for joining dissimilar materials in the automotive industry. These joints are popular due to their adaptability, high performance and short cycle time. However, since these joints involve two dissimilar materials, they are susceptible to galvanic corrosion in the presence of an electrolyte which is driven by the difference in the equilibrium potential of the metals. This can affect the safety and resilience of these joints. In this paper, we focus on galvanic corrosion in Al-Fe SPR joints. A Machine learning (ML) based surrogate model, which is based off of FE simulations, for statistical corrosion analysis is developed. This model enables the resilience and reliability analysis of SPR joints under corrosion environment. In this study, first a physics-based finite element (FE) corrosion model has been developed to simulate the galvanic corrosion between a Fe cathode and an Al anode of a SPR joint. This model takes into account the effect of the crystal microstructure of the Al anode and the precipitation of the corrosion product. Several geometric and environmental factors including crevice gap, roughness of anode, conductivity, pH and the temperature of the electrolyte that effect corrosion are investigated. A thorough Uncertainty Quantification (UQ) analysis is conducted for the overall corrosion behavior of the Fe-Al SPR joints using a novelistic Probabilistic Confidence-Based Adaptive Sampling (PCAS) technique. PCAS is used to train the surrogate model by identifying the critical sampling points and thus reducing the overall computational costs. It is found that the electrolyte temperature has the largest effects on the material loss and needs to be managed closely for better corrosion control. By understanding the corrosion performance and resultant uncertainty impact on SPR joints, the reliability and resilience of these joints can be improved.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Identification of Brillouin Zones by In-Plane Lasing from Light-Cone Surface Lattice Resonances

Periodic optical structures can control the flow of light, which has facilitated applications in optical fibers, laser cavities, and biochemical sensors. The first Brillouin zone (BZ) in reciprocal space can describe all the electromagnetic fields localized inside a photonic lattice. However, photonic lattices also exhibit radiative losses from light scattering, but the radiated fields are not captured by the first BZ. In a two-dimensional lattice, the in-plane wavevectors of photonic modes are limited by the so-called light cone, which depicts free-photon dispersion relations in the surrounding medium. Here we show that projection of the light cone on extended BZs provides a geometric method to observe radiated electromagnetic fields of photonic lattice modes. We developed a coupled dipole radiation theory to reveal how lattice geometry and dipole orientation affect the angular distributions of the radiated fields. Using dye molecules as local dipole emitters to excite and probe the optical modes, we experimentally identified high-order BZ edges through directional, in-plane lasing emission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Tuning spin excitations in magnetic films by confinement

Spin excitations of magnetic thin films are the founding element for novel transport concepts in spintronics, magnonics, and magnetic devices in general. While spin dynamics have been extensively studied in bulk materials, their behaviour in mesoscopic films is less known due to experimental limitations. Here, we employ Resonant Inelastic X-Ray Scattering to investigate the spin excitation spectrum in mesoscopic Fe films, from bulk-like down to 3 unit cells thick. In bulk-like samples, we find isotropic, dispersive ferromagnons consistent with the dispersion observed by neutron scattering in bulk single crystals. As the thickness is reduced, these ferromagnons survive and evolve anisotropically: renormalising to lower energies along the out-of-plane direction while retaining their dispersion in the in-plane direction. This thickness dependence is captured by simple Heisenberg model calculations accounting for the confinement in the out-of-plane direction through the loss of Fe bonds. Overall, our findings highlight the effects of mesoscopic scaling on spin dynamics and identify thickness as a knob for fine-tuning and controlling magnetic properties in films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Increasing phosphorus loss despite widespread concentration decline in US rivers

The loss of phosphorous (P) from the land to aquatic systems has polluted waters and threatened food production worldwide. Systematic trend analysis of P, a nonrenewable resource, has been challenging, primarily due to sparse and inconsistent historical data. Here, we leveraged intensive hydrometeorological data and the recent renaissance of deep learning approaches to fill data gaps and reconstruct temporal trends. We trained a multitask long short-term memory model for total P (TP) using data from 430 rivers across the contiguous United States (CONUS). Trend analysis of reconstructed daily records (1980–2019) shows widespread decline in concentrations, with declining, increasing, and insignificantly changing trends in 60%, 28%, and 12% of the rivers, respectively. Concentrations in urban rivers have declined the most despite rising urban population in the past decades; concentrations in agricultural rivers however have mostly increased, suggesting not-as-effective controls of nonpoint sources in agriculture lands compared to point sources in cities. TP loss, calculated as fluxes by multiplying concentration and discharge, however exhibited an overall increasing rate of 6.5% per decade at the CONUS scale over the past 40 y, largely due to increasing river discharge. Results highlight the challenge of reducing TP loss that is complicated by changing river discharge in a warming climate.

Science & Technology - Other Topics↗
DOE OSTI2026

Additive Manufacturing of Cryogenic Austenitic Steel JK2LB via Wire-Fed Directed Energy Deposition (DED) for Fusion Energy Applications

This study explores the feasibility of fabricating cryogenic austenitic steel JK2LB via both laser-based directed energy deposition (laser-DED) and arc-based directed energy deposition (arc-DED) additive manufacturing processes for potential application in fusion reactors. JK2LB, a low-nickel, high-manganese stainless steel developed for ITER, offers excellent cryogenic toughness, radiation resistance, and decay-to-clearance characteristics. Although JK2LB was originally designed to endure cyclic stresses at cryogenic temperatures in tokamaks, its low-temperature mechanical integrity and radiation tolerance also make it a promising candidate for structural components, such as the coil case/support structure in nonplanar high-temperature superconducting magnet assemblies in stellarators. Directed energy deposition (DED) additive manufacturing was selected for this study due to its capability to fabricate large structures with complex geometries. Here, to address the long lead time and high cost associated with acquiring conventional JK2LB solid wire, JK2LB powder-cored wire was developed as the feedstock material. Testing blocks were then fabricated using both wire-fed laser-DED and arc-DED processes. Microstructural and compositional analyses revealed that both DED approaches yield fully austenitic phase and columnar grain structures. Mechanical testing at room temperature revealed that both DED routes achieved yield strength and elongation comparable to those of conventionally processed JK2LB via vacuum melting, electroslag remelting, extrusion, and drawing, though ultimate tensile strength was reduced due to Mn loss and large columnar grains. As a study mainly focusing on the additive manufacturing process, this work demonstrates the potential of additive manufacturing for fusion energy applications and provides a basis for optimization and future cryogenic mechanical evaluation.

Cryogenic steel↗
DOE OSTI2022

High-Platinum-Content Catalysts on Atomically Dispersed and Nitrogen Coordinated Single Manganese Site Carbons for Heavy-Duty Fuel Cells

Fuel cells for heavy-duty vehicles (HDVs) have attracted considerable attention because of their unique scalability, better fuel economy, the less demand for hydrogen refilling infrastructure. However, the potential application requires more stringent fuel cell durability up to 25,000 h. Membrane electrode assemblies (MEAs) made from platinum group metal (PGM) catalyst with relatively high loading 0.3 mgPt cm –2 play a crucial role in ensuring high-power and long-term durability. Integrating fine PGM nanoparticles and robust carbon support with strengthened interactions is critical for improving MEA performance and durability. Herein, a unique atomically dispersed and nitrogen coordinated single Mn site-rich carbon (M–N–C) support was developed for high content (40 wt%) platinum catalysts for the oxygen reduction reaction (ORR) cathode with reduced thickness. Compared with two controls studied in this work (e.g., a porous graphitic carbon-supported Pt and a commercial TKK Pt/C catalysts), the Pt (40 wt%)/Mn–N–C catalyst exhibited much enhanced catalytic activity and stability for the ORR in both aqueous acidic electrolyte and polymer electrolyte-based MEA. Here, we carefully elucidated the—role of the Mn–N–C support in promoting Pt catalyst concerning its high surface area, partially graphitic structure, and nitrogen dopants, providing better Pt nanoparticle dispersion, and strengthened interactions between Pt and carbon. Consequently, the MEA from the Pt (40 wt%)/Mn–N–C catalyst generated a 1.61 A cm –2 at 0.7 V based on HDV conditions (0.2 mgPt cm –2 and 250 kPa air). More importantly, the MEA is highly durable and can retain 1.31 A cm –2 at 0.7 V after 30,000 voltage cycles (~19% loss), surpassing the commercial Pt/C catalyst (loss of ~56%). Therefore, the Mn–N–C carbon-supported Pt catalyst holds a great promise to meet the challenging DOE target (1.07 A cm –2 at 0.7 V after 150,000 cycles) for HDVs.

25 ENERGY STORAGE↗
DOE OSTI2022

Physics Informed Reinforcement Learning for Power Grid Control using Augmented Random Search

Wide adoption of deep reinforcement learning need to overcome several challenges in energy system domain, including scalability, learning from limited samples, and high-dimensional continuous state and action spaces. In this paper, we integrated physics-based information from the normal generator operation state formula in the reinforcement learning agent's neural network loss function, and applied an augmented random search agent to optimize the generator control under dynamic contingency. Simulation results demonstrated the reliability performance improvements in training speed, reward convergence, sampling efficiency, scalability, and transferability.

physics informed ML, Physics Informed Neural Netwo↗
DOE OSTI2025

In Situ Study of Resistive Switching in a Nitride‐Based Memristive Device

Abstract Resistive switching (RS) devices with ultra‐low‐voltage threshold and reliable switching repeatability exhibits great potential applications in energy‐efficient data storage and neuromorphic computing. Understanding switching mechanisms at nanoscale is critical to design RS devices with improved performance. In this work, a lamella memristive device using focused ion beam (FIB) method based on the metal/TiO x /TiN/Si structure device is fabricated. In situ transmission electron microscopy (TEM) and current–voltage ( I–V ) characteristic demonstrate that the lamella device shows a volatile RS behavior with a threshold switching at ≈ ± 0.4 V. In situ scanning transmission electron microscopy (STEM) experiments with electron energy loss spectroscopy (EELS) reveal that the charge carriers such as oxygen vacancies migrate under positive/negative DC bias and modulate Schottky barriers at the top and bottom metal/semiconductor interfaces. The RS mechanism of the lamella device is based on the Schottky barriers modulation and Joule heating assisted electric field triggered thermal runaway (FTTR) occurred at the metal/semiconductor interfaces. The fundamental insights gained from this study presents a perspective on interface‐type RS devices processing and opens up new technological opportunities of fabricating ultra‐low‐energy memristive devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Minimizing Energy Loss by Designing Multifunctional Solid Additives to Independent Regulation of Donor and Acceptor Layers for Efficient LBL Polymer Solar Cells

Solid additives are crucial in layer-by-layer (LBL) polymer solar cells (PSCs). Despite its importance, the simultaneous application of solid additives into both donor and acceptor layers has been largely overlooked. In this work, two multifunctional solid additives are actively designed, and investigated the synergistic effect on both donor and acceptor layers. Incorporating the multifunctional solid additives into the donor layer could effectively enhance the aggregation and molecular stacking of the donor polymer, leading to reduced energy disorder and minimizing ΔE 2 . When the multifunctional solid additives are introduced into the acceptor layer, they just play a role in optimizing the morphology, thereby reducing the ΔE 3 . Excitedly, the simultaneous addition of the multifunctional solid additives into both donor and acceptor layers produced a synergistic effect for decreasing ΔE 2 and ΔE 3 simultaneously, especially adding SA2, thus enabling an excellent power conversion efficiency (PCE) of 19.95% (certified as 19.68%) with an open-circuit voltage (V oc ) of 0.921 V, a short circuit current density (J sc ) of 27.08 mA cm -2 and a fill factor (FF) of 79.98%. The work highlights the potential of multifunctional solid additives in independently regulating the properties of donor and acceptor layers, which is expected as a promising approach for further developing higher performance PSCs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effect of Propagating Dopant Reactivity on Lattice Oxygen Loss in LLZO Solid Electrolyte Contacted with Lithium Metal

Lithium lanthanum zirconium oxide (LLZO) is widely known as the most stable solid electrolyte against lithium metal electrodes. This thermodynamic stability can be lost by the presence of dopants which are required to stabilize the cubic phase of LLZO and can be reduced by lithium metal. However, the role of oxygen in such reactions is taken for granted. In this work, the reduction of Nb-substituted LLZO (Nb-LLZO) is explored by Li metal and shows that interfacial reactions propagate and lead to the decomposition with substantial Nb 5+ reduction deep into the bulk electrolyte. Scanning Transmission Electron Microscopy with Energy Dispersive X-ray Spectroscopy and thermogravimetric analyses show much of the reduction is due to oxygen vacancies formed, leading to increased electronic conductivity mapped with conductive Atomic Force Microscopy. Density functional theory calculations indicate oxygen release is favored by increased excess lithiation of Nb-LLZO. Electrochemical impedance of polycrystalline Nb-LLZO shows the continuous evolution of ionically resistive interphases near the lithium metal interface with Nb-LLZO while single crystals show little reactivity at room temperature and self-limiting reduction at 60°C. This work underlines the role of grain boundaries in propagating destructive solid electrolyte reactions and highlights previously unseen mechanisms involving lattice oxygen in LLZO.

Li metal, solid-state electrolytes↗
DOE OSTI2024

Ultrathin Magnesium-Based Coating as an Efficient Oxygen Barrier for Superconducting Circuit Materials

Scaling up superconducting quantum circuits based on transmon qubits necessitates substantial enhancements in qubit coherence time. Over recent years, tantalum (Ta) has emerged as a promising candidate for transmon qubits, surpassing conventional counterparts in terms of coherence time. However, amorphous surface Ta oxide layer may introduce dielectric loss, ultimately placing a limit on the coherence time. In this study, a novel approach for suppressing the formation of tantalum oxide using an ultrathin magnesium (Mg) capping layer is presented. Synchrotron-based X-ray photoelectron spectroscopy studies demonstrate that oxide is confined to an extremely thin region directly beneath the Mg/Ta interface. Additionally, it is demonstrated that the superconducting properties of thin Ta films are improved following the Mg capping, exhibiting sharper and higher-temperature transitions to superconductive and magnetically ordered states. Moreover, an atomic-scale mechanistic understanding of the role of the capping layer in protecting Ta from oxidation is established based on computational modeling. Further, this work provides valuable insights into the formation mechanism and functionality of surface tantalum oxide, as well as a new materials design principle with the potential to reduce dielectric loss in superconducting quantum materials. Ultimately, the findings pave the way for the realization of large-scale, high-performance quantum computing systems.

36 MATERIALS SCIENCE↗