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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Spatial and temporal overlap between hatchery- and natural-origin steelhead and Chinook Salmon during spawning in the Klickitat River, Washington, USA

Abstract Objective A goal of many segregated salmonid hatchery programs is to minimize potential interbreeding between hatchery- and natural-origin fish. Our objective was to assess this on the Klickitat River, Washington, USA. Methods We used radiotelemetry to evaluate spatiotemporal spawning overlap between hatchery- and natural-origin steelhead Oncorhynchus mykiss and spring Chinook Salmon O. tshawytscha. We estimated percentages of tagged fish that spawned naturally in the Klickitat River subbasin, emigrated from the Klickitat River, or died before spawning. A kernel density analysis was used to estimate probability of spatiotemporal overlap between hatchery- and natural-origin spawners. Result For steelhead, 12% of hatchery-origin and 50% of natural-origin fish spawned naturally. For spring Chinook Salmon, 18% of hatchery-origin and 44% of natural-origin fish spawned naturally. Tag loss may result in underestimates in these percentages. Most hatchery-origin steelhead (90%) spawned downstream of river kilometer (rkm) 32, and 75% spawned from November to mid-March. The majority of natural-origin steelhead (64%) spawned upstream of rkm 32, and 75% spawned from mid-March to late May. Spawn timing of hatchery-origin Chinook Salmon (early August to mid-September) overlapped with that of natural-origin Chinook Salmon (late July to late September), and fish of both origins spawned in the same 30-km reach of the river. We estimated the percentage of hatchery-origin spawners (pHOS) on the natural spawning grounds to be 12% for steelhead and 40% for spring Chinook Salmon across all study years. For steelhead, we estimated the overlap probability to be 25% (95% CI = 22.5–28%). For spring Chinook Salmon, tight spatial clustering of hatchery-origin fish resulted in a lower overlap estimate of 21% (13–31%). Conclusion We suggest adjusting pHOS estimates using these overlap estimates or similar spatiotemporal data on actual spawner proximity and possible interactions, and that these types of analyses be used in conjunction with gene flow analysis to accurately evaluate effects of individual hatchery programs.

Zendt, Joseph S.↗
DOE OSTI2024

Evidence of hot carrier extraction in metal halide perovskite solar cells

The presence of hot carriers is presented in the operational properties of an (FA,Cs)Pb(I, Br, Cl) 3 solar cell at ambient temperatures and under practical solar concentration. Albeit, in a device architecture that is not suitably designed as a functional hot carrier solar cell. At 100 K, clear evidence of hot carriers is observed in both the high energy tail of the photoluminescence spectra and from the appearance of a nonequilibrium photocurrent at higher fluence in light J–V measurements. At room temperature, however, the presence of hot carriers in the emission at elevated laser fluence is shown to compete with a gradual red shift in the PL peak energy as photoinduced halide segregation begins to occur at higher lattice temperature. The effects of thermionic emission of hot carriers and the presence of a nonequilibrium carrier distribution are also shown to be distinct from simple lattice heating. In conclusion, this results in large unsaturated photocurrents at high powers as the Fermi distribution exceeds that of the heterointerface controlling carrier transport and rectification.

14 SOLAR ENERGY↗
DOE OSTI2022

The Arabidopsis T‐DNA mutant SALK_008491 carries a 14‐kb deletion on chromosome 3 that provides rare insights into the plant response to dynamic light stress

Abstract In nature, plants experience rapid changes in light intensity and quality throughout the day. To maximize growth, they have established molecular mechanisms to optimize photosynthetic output while protecting components of the light‐dependent reaction and CO 2 fixation pathways. Plant phenotyping of mutant collections has become a powerful tool to unveil the genetic loci involved in environmental acclimation. Here, we describe the phenotyping of the transfer‐DNA (T‐DNA) insertion mutant line SALK_008491, previously known as nhd1‐1 . Growth in a fluctuating light regime caused a loss in growth rate accompanied by a spike in photosystem (PS) II damage and increased non‐photochemical quenching (NPQ). Interestingly, an independent nhd1 null allele did not recapitulate the NPQ phenotype. Through bulk sequencing of a backcrossed segregating F 2 pool, we identified an ~14‐kb large deletion on chromosome 3 (Chr3) in SALK_008491 affecting five genes upstream of NHD1 . Besides NHD1 , which encodes for a putative plastid Na + /H + antiporter, the stromal NAD‐dependent D‐3‐phosphoglycerate dehydrogenase 3 ( PGDH3 ) locus was eradicated. Although some changes in the SALK_008491 mutant's photosynthesis can be assigned to the loss of PGDH3, our follow‐up studies employing respective single mutants and complementation with overlapping transformation‐competent artificial chromosome (TAC) vectors reveal that the exacerbated fluctuating light sensitivity in SALK_008491 mutants result from the simultaneous loss of PGDH3 and NHD1. Altogether, the data obtained from this large deletion‐carrying mutant provide new and unintuitive insights into the molecular mechanisms that function to protect the photosynthetic machinery. Moreover, our study renews calls for caution when setting up reverse genetic studies using T‐DNA lines. Although second‐site insertions, indels, and SNPs have been reported before, large deletion surrounding the insertion site causes yet another problem. Nevertheless, as shown through this research, such unpredictable genetic events following T‐DNA mutagenesis can provide unintuitive insights that allow for understanding complex phenomena such as the plant acclimation to dynamic high light stress.

Lopez, Laura S.↗
DOE OSTI2021

Testing and Modeling of Functionally Graded Aluminum-Doped Zinc Oxide Using Spark Plasma Sintering and Discrete Powder Layers of Varying Composition

Functionally graded material (FGM) ZnO is made via spark plasma sintering/field-assisted sintering technique (SPS/FAST) by varying the Al dopant content along the z-axis or pressing direction. A wide range of Al content (0–5 wt%) is used by adding Al powder to nanosized ZnO powder. Thermoelectric (TE) measurements are done on the FGM and individual layers made separately. X-ray diffraction (XRD) shows two phases, ZnO and spinel phase (ZnAl 2 O 4 ). High-resolution Raman spectroscopy reveals doped ZnO and spinel phase (ZnAl 2 O 4 ) spatially and shows segregation in the layer with highest Al content. Electron backscatter diffraction (EBSD) reveals noticeable grain growth with decreasing Al content, and there is a common, random preferred orientation in all layers. The tested properties are used to simulate efficiency curves for a discretely graded, five-layer FGM as well as a homogenous material, where both graded structures provide an opportunity to widen the current density ranges and therefore the temperature range of useful energy conversion.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effects of Surface Orientation and Termination Plane on Glass‐to‐Crystal Transformation of Lithium Disilicate by Molecular Dynamics Simulations

Glass‐to‐crystal transformation of lithium disilicate is studied using molecular dynamics simulations using an effective partial charge potential. The structural evolution of the interface between glassy and crystalline lithium disilicate is analyzed to simulate crystallization of glass on pre‐existing crystal seeds. Besides previously used atomic number density, the distribution of Q n species (Si tetrahedra with n bridging oxygen) is shown to be an effective parameter for following this transformation quantitatively. The early stages of crystal growth are significantly affected by the orientation and termination of the surface of adjacent crystal, as indicated by calculated atomic density, partial ordering, atomic segregation, and an increase in Q 3 concentration. In particular, under‐coordinated Si within the outer crystal layer is found to be most effective in transforming the amorphous structure toward crystallinity. The increase in Q 3 in the glass close to interface region most clearly shows the initial stage of lithium disilicate crystal growth.

Sun, Wei↗
DOE OSTI2020

Revealing Nanoscale Chemical Heterogeneities in Polycrystalline Mo-BiVO 4 Thin Films

The activity of polycrystalline thin film photoelectrodes is impacted by local variations of the material properties due to the exposure of different crystal facets and the presence of grain/domain boundaries. Here a multi-modal approach is applied to correlate nanoscale heterogeneities in chemical composition and electronic structure with nanoscale morphology in polycrystalline Mo-BiVO 4 . By using scanning transmission X-ray microscopy, the characteristic structure of polycrystalline film is used to disentangle the different X-ray absorption spectra corresponding to grain centers and grain boundaries. Comparing both spectra reveals phase segregation of V 2 O 5 at grain boundaries of Mo-BiVO 4 thin films, which is further supported by X-ray photoelectron spectroscopy and many-body density functional theory calculations. Theoretical calculations also enable to predict the X-ray absorption spectral fingerprint of polarons in Mo-BiVO 4 . After photo-electrochemical operation, the degraded Mo-BiVO 4 films show similar grain center and grain boundary spectra indicating V 2 O 5 dissolution in the course of the reaction. Overall, these findings provide valuable insights into the degradation mechanism and the impact of material heterogeneities on the material performance and stability of polycrystalline photoelectrodes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Non-Equilibrium Synthesis of Highly Active Nanostructured, Oxygen-Incorporated Amorphous Molybdenum Sulfide HER Electrocatalyst

Molybdenum sulfide emerged as promising hydrogen evolution reaction (HER) electrocatalyst thanks to its high intrinsic activity, however its limited active sites exposure and low conductivity hamper its performance. To address these drawbacks, the non-equilibrium nature of pulsed laser deposition (PLD) is exploited to synthesize self-supported hierarchical nanoarchitectures by gas phase nucleation and sequential attachment of defective molybdenum sulfide clusters. Furthermore, the physics of the process are studied by in situ diagnostics and correlated to the properties of the resulting electrocatalyst. The as-synthesized architectures have a disordered nanocrystalline structure, with nanodomains of bent, defective S-Mo-S layers embedded in an amorphous matrix, with excess sulfur and segregated molybdenum particles. Oxygen incorporation in this structure fosters the creation of amorphous oxide/oxysulfide nanophases with high electrical conductivity, enabling fast electron transfer to the active sites. The combined effect of the nanocrystalline pristine structure and the surface oxidation enhances the performance leading to small overpotentials, very fast kinetics (35.1 mV dec -1 Tafel slope) and remarkable long-term stability for continuous operation up to -1 A cm -2 . This work shows possible new avenues in catalytic design arising from a non-equilibrium technique as PLD and the importance of structural and chemical control to improve the HER performance of MoS-based catalysts.

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

3D LiMn 2 O 4 nThin Film Deposited by ALD: A Road toward High-Capacity Electrode for 3D Li-Ion Microbatteries

Miniaturized electronics suffer from a lack of energy autonomy. In that context, the fabrication of lithium-ion solid-state microbatteries with high performance is mandatory for powering the next generation of portable electronic devices. Here, the fabrication of a thin film positive electrode for 3D Li-ion microbatteries made by the atomic layer deposition (ALD) method and in situ lithiation step is demonstrated. The 3D electrodes based on spinel LiMn 2 O 4 films operate at high working potential (4.1 V vs Li/Li + ) and are capable of delivering a remarkable surface capacity (approximate to 180 mu Ah cm -2 ) at low C-rate while maintaining more than 40 mu Ah cm -2 at C/2 (time constant = 2 h). Both the thickness of the electrode material and the 3D gain of the template are carefully tuned to maximize the electrode performance. Further, advanced characterization techniques such as transmission electron and X-ray transmission microscopies are proposed as perfect tools to study the conformality of the deposited films and the interfaces between each layer: no interdiffusion or segregation are observed. This work represents a major issue towards the fabrication of 3D-lithiated electrode by ALD-without any prelithiation step by electrochemical technique-making it an attractive solution for the fabrication of 3D Li-ion solid-state microbatteries with semiconductor processing methods.

3D Li-ion micro-batteries↗
DOE OSTI2023

Metal–Organic Framework as a New Type of Magnetothermally‐Triggered On‐Demand Release Carrier

The development of external stimuli‐controlled payload systems has been sought after with increasing interest toward magnetothermally‐triggered drug release (MTDR) carriers due to their non‐invasive features. However, current MTDR carriers present several limitations, such as poor heating efficiency caused by the aggregation of iron oxide nanoparticles (IONPs) or the presence of antiferromagnetic phases which affect their efficiency. Herein, a novel MTDR carrier is developed using a controlled encapsulation method that fully fixes and confines IONPs of various sizes within the metal–organic frameworks (MOFs). This novel carrier preserves the MOF's morphology, porosity, and IONP segregation, while enhances heating efficiency through the oxidation of antiferromagnetic phases in IONPs during encapsulation. It also features a magnetothermally‐responsive nanobrush that is stimulated by an alternating magnetic field to enable on‐demand drug release. The novel carrier shows improved heating, which has potential applications as contrast agents and for combined chemo and magnetic hyperthermia therapy. It holds a great promise for magneto‐thermally modulated drug dosing at tumor sites, making it an exciting avenue for cancer treatment.

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

Molecular Doping Increases the Semitransparent Photovoltaic Performance of Dilute Bulk Heterojunction Film with Discontinuous Polymer Donor Networks

The semitransparent and colorful properties of organic solar cells (OSCs) attract intensive academic interests due to their potential application in building integrated photovoltaics, wearable electronics, and so forth. The most straightforward and effective method to tune these optical properties is varying the componential ratio in the blend film. However, the increase in device transmittance inevitably sacrifices the photovoltaic performance because of severe carrier recombination that originates from discontinuous charge-transport networks in the blend film. In this work, a strategy is proposed via the molecular-doping strategy to overcome these shortcomings. It is discovered that p-doping is able to release the trapped holes in segregated polymer domains leading to short-circuit current enhancement, while n-doping is more effective to fill the bandgap states producing a higher fill factor. More importantly, either type of doping improves the photovoltaic performance in the semitransparent photovoltaic devices. These discoveries provide a new pathway to breaking the compromise between the photovoltaic performance and optical transmittance in semitransparent OSCs, and hold promise for their future commercialization.

14 SOLAR ENERGY↗
DOE OSTI2025

Revealing the Crystallization Pathways of Mixed‐Halide Low‐Dimensional Perovskites: A First Step Toward Solar Cell Applications

Ruddlesden–Popper perovskites (RPPs) are promising materials for optoelectronic devices. While iodide‐based RPPs are well‐studied, the crystallization of mixed‐halide RPPs remains less explored. Understanding the factors affecting their formation and crystallization are vital for optimizing morphology, phase purity, and orientation, which directly impact device performance. Here, we investigate the crystallization and properties of mixed‐halide RPPs (PEA) 2 FA n−1 Pb n (Br 1/3 I 2/3 ) 3n + 1 (PEA = C 6 H 5 (CH 2 ) 2 NH 3 + and FA = CH(NH 2 ) 2 + ) (n = 1, 5, 10) using DMSO ((CH 3 ) 2 SO) or NMP (OC 4 H 6 NCH 3 ) as cosolvents and MACl (MA = CH 3 NH 3 + ) as an additive. For the first time, the presence of planar defects in RPPs is directly observed by in situ grazing‐incidence wide‐angle X‐ray scattering (GIWAXS) and confirmed through the simulation of the patterns that matched the experimental. GIWAXS data also reveals that DMSO promotes higher crystallinity and vertical orientation, while MACl enhances crystal quality but increases halide segregation, shown here by nano X‐ray fluorescence (nano‐XRF) experiments. For low‐n RPPs, orientation is crucial for solar cell efficiency, but its impact decreases with increasing n. Our findings provide insights into optimizing mixed‐halide RPPs, guiding strategies to improve crystallization, phase control, and orientation for better performance not only in solar cells but also in other potential optoelectronic devices.

Guaita, Maria G D↗
DOE OSTI2026

Genetic analyses of leaf traits in an interspecific Zoysia japonica × Zoysia matrella F2 population

Zoysiagrass (Zoysia spp.) is an important warm-season turfgrass cultivated across tropical, subtropical, and temperate regions of the world. The genus is characterized by the presence of salt-secreting glands on the adaxial leaf surface, which contribute to its high salt tolerance. In this study, we analyzed an interspecific F2 population, derived from selfing an F1 from a cross between Z. japonica acc. Meyer and Z. matrella acc. PI 231146, for variation in adaxial salt gland density, leaf width, and vein count. Using composite interval mapping with a previously constructed genetic map as a framework, we identified three quantitative trait loci (QTL) for leaf width, two QTL for vein count, and two QTL for salt gland density. We complemented the QTL analysis with bulked segregant RNA-seq (BSR-seq) to identify shared genomic regions and candidate genes for leaf width and salt gland density. BSR-seq identified four trait-associated regions, but only a single region identified for leaf width on Chr08 overlapped with a QTL for the same trait. We highlight putative candidate genes underlying the leaf width and salt gland density QTL and discuss their potential roles in leaf development. Together, the QTL and candidate genes provide an important resource for breeding stress-resilient Zoysia germplasm.

Pradhan, Shreena [University of Georgia, Athens]↗
DOE OSTI2024

Nanocomposite Materials for Radionuclide Sequestration from Groundwater Environments

The half-lives of radionuclides range from fractions of a second to billions of years. Since no practical method of altering radioactive decay exists, and since exposure to either the energy emitted from radioactive decay or chemical properties of radionuclides poses dire health risks, radioactive materials must be segregated and controlled. The capture, treatment, and disposition of radioactive materials remain an extraordinary challenge. In here, we focus our attention on the synthesis and characterization of a unique class of nanocomposite materials that have potential for removal of radionuclide contamination. Specifically, we report a simple approach to decorate the surface of iron-based (Fe/FexOy) material with various nano-catalysts. Specifically, copper (Cu), tin (Sn), and silver (Ag) nanoparticles were prepared through two different reduction approaches, namely, citrate and cetyltrimethylammonium bromide (CTAB) methods, on the iron-based material surface. All samples were characterized by a variety of analytical tools, which included scanning electron microscopy (SEM), electron-dispersive X-ray microanalysis (EDS), and EDS mapping to elucidate materials’ morphology as well as nano-catalysts’ loading and location on the iron-based structures.

Hunyadi Murph, Simona E.↗
DOE OSTI2020

Microstructural development in DED stainless steels: applying welding models to elucidate the impact of processing and alloy composition

Austenitic stainless steel microstructures produced by directed energy deposition (DED)are analogous to those developed during welding, particularly high energy density welding. To better understand microstructural development during DED, theories of microstructural evolution,which have been established to contextualize weld microstructures, are applied in this study to microstructural development in DED austenitic stainless steels. Phenomenological welding models that describe the development of oxide inclusions, compositional microsegregation, ferrite,matrix austenite grains, and dislocation substructures are utilized to clarify microstructural evolution during deposition of austenitic stainless steels. Two different alloys, 304L and 316L, arecompared to demonstrate the broad applicability of this framework for understanding microstmctural development during the DED process. Despite differences in grain morphology and solidification mode for these two alloys (which can be attributed to compositional differences),similar tensile properties are achieved. It is the fine-scale compositional segregation and dislocation structures that ultimately determine the strength of these materials. The evolution of microsegregation and dislocation structures is shown to be dependent on the rapid solidification and thermomechanical history of the DED processing method and not the composition of the starting material.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Barriers to carriers: faults and recombination in non-stoichiometric perovskite scintillators

Abstract Tuning the efficiency and speed of charge carrier recombination in inorganic scintillators can potentially improve their performance in diverse applications. Recent work suggests that this maybe be achieved via a two-phase scintillator AB that naturally phase separates into A -rich and B -rich domains. In addition, a favorable electronic structure and band-edge alignment such that the charge carriers are confined or are thermodynamically driven to preferentially accumulate in one of the two domains, might lead to an improved radiative recombination rate. Here, we use density functional theory computations and ab initio molecular dynamics (AIMD), including non-adiabatic molecular dynamics (NAMD) simulations, to examine an alternative phase structure and its potential impact on recombination. Using a model perovskite SrTiO $$_3$$ 3 system with one-, two- and three-dimensional Ruddlesden–Popper (RP) phases, we demonstrate that RP faults induce band structure changes in the material that can act as barriers to carrier transport. Our AIMD/NAMD simulations indicate competing effects of a lower mean free path (potentially enhancing the desired radiative recombination and overall scintillating efficiency) and faster non-radiative recombination (undesired) due to enhanced electron–phonon coupling in the faulted system. Full exploitation of such a rational design approach would require tuning of the effective scintillation efficiency by varying the perovskite chemistry using appropriate arrangements of RP faults in the bulk material. Finally, other effects, such as the tendency of point defects to segregate at the interface, that might affect the overall performance, are briefly discussed. We expect the basic results found here to apply to other nanostructured scintillators. Graphical Abstract

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Gaussian process autoregressive model capturing microstructure evolution paths in a Ni–Mo–Nb alloy

Additive manufacturing is increasingly being employed to produce components of complex geometries in structural alloys because of the expected energy savings associated with the near-net-shape capability and the ability to build in novel internal features that are not possible with many conventional manufacturing approaches. However, because of the extreme thermal conditions encountered, the non-equilibrium microstructures produced during powder bed-based additive manufacturing processes must be subjected to custom post-heat treatment processes to recover the target mechanical properties. Phase-field models and simulation techniques have matured to a state where the microstructure evolution paths, and the morphologies of the resulting precipitate phases can be predicted reasonably accurately, considering alloy-specific thermodynamic and kinetic aspects of the nucleation and growth processes. However, phase-field simulations are computationally intensive, which precludes the ability to apply the simulations directly to the length scale of the entire component. Therefore, it is highly desirable to develop low-computational-cost surrogate models that effectively capture the physics at the microstructural length scale, while facilitating the design of optimized processing conditions resulting in location-specific targeted microstructures at the component scale. The work presented here demonstrates the application of the materials knowledge system framework to develop a surrogate model that effectively captures the microstructural path during annealing of a Ni–Mo–Nb alloy containing different Mo and Nb compositions known to segregate during solidification under additive manufacturing conditions. Specifically, the surrogate model built in this work is based on a Gaussian process autoregressive model informed by statistical representation of simulated microstructures using two-point correlations and dimensionality reduction through principal component analysis. In conclusion, this surrogate model is shown to capture the bifurcation of the microstructural path during precipitation, which yields a microstructure dominated by the $\gamma^{\prime\prime}$ phase at high Nb concentrations and the $\delta$ phase at low Nb concentrations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Initial Conditions of Planet Formation: Time Constraints from Small Bodies and the Lifetime of Reservoirs in the Solar Protoplanetary Disk

This review explores the timescales of the initial phase of planet formation, from nebular dust (CAIs and chondrules) to planetesimal accretion and differentiation, using evidence from meteorite research. Aluminium-Mg systematics of CAIs indicate either an extended period of CAI formation (∼0.3 Ma) or an initial 26 Al heterogeneity, with evidence supporting a homogeneous 26 Al abundance in the protoplanetary disk. Thermal and aqueous alteration on the parent body can disturb the U-Pb and Al-Mg chronometers in chondrules. Focusing on relatively robust isochron data from plagioclase of pristine (types ≤3.05) chondrites indicates a shift in chondrule formation locations, moving from the inner to the outer disk over time. Ages of basaltic achondrites show that silicate differentiation on small bodies was well underway within the first few million years (Ma) of our solar system. Their age record, however, reveals inconsistencies between different chronometers, partly caused by (i) secondary disturbances due to thermal metamorphism, aqueous alteration, or impacts, (ii) the presence of xenolithic minerals, and (iii) potentially variable initial 26 Al abundances due to disturbances at the mineral scale. Nucleosynthetic isotope data indicate that parent bodies of iron and stony meteorites formed in two distinct regions within the protoplanetary disk: the inner, non-carbonaceous (NC) and the outer, carbonaceous (CC) region. Based on Hf-W chronometry it has been demonstrated that NC and CC parent bodies of magmatic iron meteorites segregated their cores within ∼1–3 Ma after CAI formation, implying that parent body accretion occurred within <1 Ma in both reservoirs. Combining accretion ages with nucleosynthetic data further reveals that, at first order, NC and CC reservoirs in the solar protoplanetary disk were established within 1 Ma and existed over several Ma with limited exchange between them. In the CR chondrite accretion region of the disk, planetary bodies formed over at least 3 Ma, while in most other regions, formation spanned at least 1 Ma, with minimal changes in nucleosynthetic isotope compositions. Aerodynamical size sorting of dust likely introduced or amplified some of these variations.

26Al distribution↗