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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Robust natural nanocomposites realizing unprecedented ultrafast precise molecular separations

Synthetic polymer membranes can potentially reduce the large energy and carbon footprints that are typically associated with traditional chemical separation technologies. Unfortunately, current production protocols negate the green benefits of membrane separation. To address this bottleneck, here we report the use of natural materials monosaccharide – glucose and polydopamine and Zr-based metal organic frameworks (MOFs) to fabricate ultrathin nanocomposite membranes via interfacial polymerization reaction. The synergistic effect of these three materials on angstrom-scale molecular transport both in organic solvent and aqueous environment was elucidated using a series of complementary techniques. We demonstrate such nature-inspired nanocomposite membranes enable structural stability even in polar aprotic solvents, and unparalleled ultra-fast, low-pressure, precise separations in both nanofiltration modes, which easily surpass state-of-the-art membranes relying on unsustainable materials. Finally, the multi-functionality of saccharide nanocomposites was elegantly harnessed to impact separation applications that contribute towards a better living environment.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Boric acid removal with polyol-functionalized polyether membranes

Poor selectivity of conventional desalination membranes for boron often necessitates multi-stage treatment trains to achieve desired boron removal for end uses such as irrigation. One approach to membrane design for improved single-pass boric acid removal is via incorporation of chelating ligands that selectively sorb boron. In this study, membranes based on epoxy-amine cross-linked poly(glycidyl glycidyl ether) (PGGE) were synthesized and functionalized with N-methyl-d-glucamine (NMDG), a polyol known to interact selectively with boron. PGGE and PGGE-NMDG membranes exhibited boron sorption isotherms that were well-described by dual mode isotherms. PGGE-NMDG sorbed 2.5 mmol B/g dry polymer from a neutral aqueous solution containing 100 mmol B/L, which was almost three times the adsorption density of a commercial boron selective resin, Amberlite IRA743. Further, the membranes were regenerated in acid without a significant loss of boron sorption capacity over four cycles. Interactions between boron and NMDG and PGGE sites (e.g., epoxides) impacted boron diffusion in both membranes. The use of ligand functionalized membranes to capture target solutes such as boron requires high loading of interacting sites to maximize uptake capacity. Establishing fundamental structure/property rules for boron selectivity could lead to new material designs with improved boron separation properties for water purification.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Low Energy Neutron-induced Charged-particle (Z) (LENZ) instrument development with a focus on pulse shape discrimination for low-energy charged particles

To study neutron-induced charged-particle reactions with high precision, the Low Energy Neutron-induced Charged-particle (Z) instrument (LENZ) was developed at the Los Alamos Neutron Science Center. For the interest of measuring (n,p) and (n, α) reactions simultaneously, Pulse Shape Discrimination methods were investigated to identify different charged particles in the energy range of 3 - 20 MeV and improve signal-to-background ratios using Double-sided Silicon Strip Detectors and waveform digitizers. The risetime and pulse shape properties of detected charged particles were characterized for various silicon detector’s thickness with different orientations. During the post-processing of waveforms, we implemented different digital filters for effective particle identifications and improved energy- and timing- resolutions. We validated the optimized digital filters and pulse shape analyses, via measurements with 228 Th and 229 Th calibration sources, proton-induced reactions on a 7 LiF target, and neutron-induced reactions on CH 2 , Ta 2 O 5 , 58 Ni, and 6 LiF/ 59 Ni targets at the time-of-flight facility, LANSCE. In conclusion, the summary of effective thresholds and Figure of Merits on separating different charged particles is reported.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Flow-Assisted Selective Mineral Extraction from Seawater

The sustainable production of critical materials from natural sources requires a paradigm shift away from currently used resource-intensive processes. In this paper, we report a single-step, laminar co-flow method (LCM) that leverages non-equilibrium conditions to selectively extract pure Mg(OH) 2 from natural seawater. Conventional seawater-based Mg extraction involves adding individual or a combination of precipitants to obtain Mg(OH) 2 , but the co-existence of Ca 2+ unavoidably results in CaCO 3 impurities requiring additional purification steps. Here we show that the non-equilibrium conditions in LCM achieved using a microfluidics device and by simply co-injecting a NaOH solution with seawater can result in improved selectivity for Mg(OH) 2 unlike in conventional bulk mixing method. The resulting precipitates are characterized for composition and the process yield and purity are optimized through systematic variations of the reaction time and the concentration of NaOH. This is the first demonstration of LCM for selective separation, and as a one-step process that does not rely on novel sorbents, membranes, or external stimuli, it is easy to scale-up. LCM has the potential to be broadly relevant to selective separations from complex feed streams and diverse chemistries—enabling more sustainable materials extraction and processing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

3D-Printed Repeating Re-Entrant Topography to Achieve On-Demand Wettability and Separation

While it is difficult and expensive to fabricate a complicated surface structure via conventional techniques, three-dimensional (3D) printing serves as a time-efficient and cost-efficient alternative. In the current study, a novel repeating re-entrant topography is fabricated by two-photon polymerization 3D printing. The experimental results show that the repeating re-entrant surface enhances the desired on-demand surface wettability. Furthermore, the 3D-printed membranes with the repeating re-entrant structures enable the efficient on-demand separation of liquid mixtures with high flux, which is critical for the wastewater treatment in the chemical industry.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Controlling and Optimizing Photoinduced Charge Transfer across Ultrathin Silica Separation Membrane with Embedded Molecular Wires for Artificial Photosynthesis

Ultrathin amorphous silica membranes with embedded organic molecular wires (oligo( p -phenylenevinylene), three aryl units) provide chemical separation of incompatible catalytic environments of CO 2 reduction and H 2 O oxidation while maintaining electronic and protonic coupling between them. For an efficient nanoscale artificial photosystem, important performance criteria are high rate and directionality of charge flow. Here, the visible-light-induced charge flow from an anchored Ru bipyridyl light absorber across the silica nanomembrane to Co 3 O 4 water oxidation catalyst is quantitatively evaluated by photocurrent measurements. Charge transfer rates increase linearly with wire density, with 5 nm -2 identified as an optimal target. Accurate measurement of wire and light absorber densities is accomplished by the polarized FT-IRRAS method. Guided by density functional theory (DFT) calculations, four wire derivatives featuring electron-donating (methoxy) and -withdrawing groups (sulfonate, perfluorophenyl) with highest occupied molecular orbital (HOMO) potentials ranging from 1.48 to 0.64 V vs NHE were synthesized and photocurrents evaluated. Charge transfer rates increase sharply with increasing driving force for hole transfer from the excited light absorber to the embedded wire, followed by a decrease as the HOMO potential of the wire moves beyond the Co 3 O 4 valence band level toward more negative values, pointing to an optimal wire HOMO potential around 1.3 V vs NHE. Comparison with photocurrents of samples without nanomembrane indicates that silica layers with optimized wires are able to approach undiminished electron flux at typical solar intensities. Combined with the established high proton conductivity and small-molecule blocking property, the charge transfer measurements demonstrate that oxidation and reduction catalysis can be efficiently integrated on the nanoscale under separation by an ultrathin silica membrane.

photocurrent measurements↗
DOE OSTI2025

Ferroelastic Domain-Induced Electronic Modulation in Halide Perovskites

Lead halide perovskites have emerged as promising materials for optoelectronic applications due to their exceptional properties. In the all-inorganic CsPbBr 3 perovskites, ferroelastic domains formed during phase transitions enhance bulk transport and emissive efficiency. However, the microscopic mechanisms governing carrier dynamics remain poorly understood. In this study, we employ cathodoluminescence (CL) and micro-Raman spectroscopy to image and investigate the electronic properties of the ferroelastic domain walls in CsPbBr 3 single crystals. CL measurements reveal a reduced emissive yield and a slight redshift in emission at the domain walls. Further, micro-Raman studies provide spatially resolved mapping of vibrational modes, exhibiting second-order phonon modes localized at the domain boundaries. In conclusion, our findings suggest that electron–phonon coupling at the twin domain walls plays a critical role in facilitating efficient charge separation, thereby improving the optoelectronic performance of the CsPbBr 3 perovskites.

Carrier dynamics↗
DOE OSTI2022

Toward tunable quantum transport and novel magnetic states in Eu 1– x Sr x Mn 1– z Sb 2 ( z < 0.05)

Magnetic semimetals are very promising for potential applications in novel spintronic devices. Nevertheless, realizing tunable topological states with magnetism in a controllable way is challenging. Here, we report novel magnetic states and the tunability of topological semimetallic states through the control of Eu spin reorientation in Eu 1–x Sr x Mn 1–z Sb 2 . Increasing the Sr concentration in this system induces a surprising reorientation of noncollinear Eu spins to the Mn moment direction and topological semimetallic behavior. The Eu spin reorientations to distinct collinear antiferromagnetic orders are also driven by the temperature/magnetic field and are coupled to the transport properties of the relativistic fermions generated by the 2D Sb layers. These results suggest that nonmagnetic element doping at the rare earth element site may be an effective strategy for generating topological electronic states and new magnetic states in layered compounds involving spatially separated rare earth and transition metal layers.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Gallium oxide semiconductor-based large volume ultrafast radiation hard spectroscopic scintillators

We report on the development of the first-ever inorganic radiation-hard moisture-insensitive large volume spectroscopic semiconductor-based scintillator with less than 2 ns decay time and light yields as high as 8000 ph/MeV. Despite extensive research into scintillator materials, the quest for an ideal scintillator combining ultrafast decay times (akin to BaF 2 and Yb-doped scintillators such as Lu 2 O 3 :Yb), high light yields (exceeding 2000 photons per MeV), spectroscopic capabilities, and exceptional radiation hardness remain unfulfilled. In this study, we demonstrate and report for the first time the viability of large-volume (up to 20 mm thickness) gallium oxide (β-Ga 2 O 3 ) semiconductor-based scintillators for applications requiring these properties. These β-Ga 2 O 3 scintillators were grown using the fast turnaround (~2 days) crucible-free optical float zone (FZ) technique. The high light yield and ultrafast decay time of these high-purity n-type semiconductors with free carrier concentration of 6 × 10 17 cm –3 are attributed to native defects, specifically oxygen vacancies (V O ) and gallium–oxygen vacancy pairs (V Ga –V O ), generated during optimized FZ growth. The ultrafast decay, along with high light yield, enables excellent timing resolution and high count rate detection for applications like time-of-flight positron emission tomography, physics experiments, and nuclear safety. The radiation hardness of these devices has been documented in a separate publication.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Interplay of folded domains and the disordered low-complexity domain in mediating hnRNPA1 phase separation

Abstract Liquid–liquid phase separation underlies the membrane-less compartmentalization of cells. Intrinsically disordered low-complexity domains (LCDs) often mediate phase separation, but how their phase behavior is modulated by folded domains is incompletely understood. Here, we interrogate the interplay between folded and disordered domains of the RNA-binding protein hnRNPA1. The LCD of hnRNPA1 is sufficient for mediating phase separation in vitro. However, we show that the folded RRM domains and a folded solubility-tag modify the phase behavior, even in the absence of RNA. Notably, the presence of the folded domains reverses the salt dependence of the driving force for phase separation relative to the LCD alone. Small-angle X-ray scattering experiments and coarse-grained MD simulations show that the LCD interacts transiently with the RRMs and/or the solubility-tag in a salt-sensitive manner, providing a mechanistic explanation for the observed salt-dependent phase separation. These data point to two effects from the folded domains: (i) electrostatically-mediated interactions that compact hnRNPA1 and contribute to phase separation and (ii) increased solubility at higher ionic strengths mediated by the folded domains. The interplay between disordered and folded domains can modify the dependence of phase behavior on solution conditions and can obscure signatures of physicochemical interactions underlying phase separation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Magnetism dynamics driven by phase separation in Pr-doped manganite thin films: A ferromagnetic resonance study

In this work, we performed ferromagnetic resonance measurements of a (La 1–x Pr x ) 1–y Ca y MnO 3–δ with x = 0.52 ± 0.05, y = 0.23 ± 0.04, and δ = 0.14 ± 0.10 thin single crystalline film which, in combination with micromagnetic simulations, reveal three temperature regions consistent with (i) a ferromagnetic-paramagnetic transition in which ferromagnetic domains nucleate and grow, (ii) followed by a filamentary fluidlike percolation of magnetic domains exhibiting dynamic processes and finally, iii) the existence of a blocking temperature below which the magnetism is a metastable glassy-like state with strong decoherence of the uniform resonance mode. Our results suggest a strain-liquid to strain-glass spin order transition in which the magnetism and fluidlike dynamics of the separated phases freeze at low temperatures. We show the magnetism dynamics depend strongly on the phase-separated state and morphology of the magnetic domains suggesting a route to control of phase separation and realization of spintronic and magnonic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Discrimination of xylene isomers in a stacked coordination polymer

The separation and purification of xylene isomers is an industrially important but challenging process. Developing highly efficient adsorbents is crucial for the implementation of simulated moving bed technology for industrial separation of these isomers. Herein, we report a stacked one-dimensional coordination polymer {[Mn(dhbq)(H 2 O) 2 ], H 2 dhbq = 2,5-dihydroxy-1,4-benzoquinone} that exhibits an ideal molecular recognition and sieving of xylene isomers. Its distinct temperature-adsorbate–dependent adsorption behavior enables full separation of p -, m -, and o -xylene isomers in both vapor and liquid phases. The delicate stimuli-responsive swelling of the structure imparts this porous material with exceptionally high flexibility and stability, well-balanced adsorption capacity, high selectivity, and fast kinetics at conditions mimicking industrial settings. This study may offer an alternative approach for energy-efficient and adsorption-based industrial xylene separation and purification processes.

Science & Technology - Other Topics↗
DOE OSTI2022

Hydrocarbon ladder polymers with ultrahigh permselectivity for membrane gas separations

Membranes have the potential to substantially reduce energy consumption of industrial chemical separations, but their implementation has been limited owing to a performance upper bound—the trade-off between permeability and selectivity. Although recent developments of highly permeable polymer membranes have advanced the upper bounds for various gas pairs, these polymers typically exhibit limited selectivity. We report a class of hydrocarbon ladder polymers that can achieve both high selectivity and high permeability in membrane separations for many industrially relevant gas mixtures. Additionally, their corresponding films exhibit desirable mechanical and thermal properties. Tuning of the ladder polymer backbone configuration was found to have a profound effect on separation performance and aging behavior.

Science & Technology - Other Topics↗
DOE OSTI2024

Sap flow data, Jan 2022-Dec 2022, Panama: PNM,BCI, and SLZ

Sap flow was monitored at three Panamanian sites: Parque Natural Metropolitano (PNM), Barro Colorado Island (BCI), and Bosque Protector San Lorenzo (SLZ), using a total of 54 G-20mm sap flow sensors. Raw output from the data logger connected to 54 sap flow sensors are converted from xxx.dat. to xxx.csv. files. The metadata file (E-field log_v1-1_PNM_BCI_SLZ_sapflow_2022.xls) has information on locations where the sensors were installed, and other installation/maintenance details. No data processing or QA/QC was done on the raw datasets except conversion of dat. files to csv. files. Processed datasets have been uploaded separately. Contact mizanur.rahman@pnnl.gov or nate.mcdowell@pnnl.gov if you need to use this dataset for additional information.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Developing Accelerated Test Protocols and Tuning Microstructures of the Common Materials to Improve Robustness, Reliability, and Endurance of SOFC Cells

This work is built on our prior work where we found that phase transformation in praseodymium nickelates, e.g. Pr 2 NiO 4 (PNO) and (Pr 1-x Nd x ) 2 NiO 4 (PNNO), can be electrochemically driven, and is substantially faster when compared to thermal annealing studies. The first task aims at an attempt to further accelerate the phase transformation in the oxygen electrode by alternating the current input in the cells, which lead to the development of accelerated test protocols (ATPs). ATPs showed up to 60x faster phase transformation and up to 10x faster performance degradation in (Pr 0.50 Nd 0.50 ) 2 NiO 4 electrodes, when compared to long-term operation under constant current density. Furthermore, the phase stable Nd 2 NiO 4 and (La 0.6 Sr 0.4 )(Co 0.8 Fe 0.2 )O 3 (LSCF6482) electrodes were tested in full cells under ATPs, and showed up to 10x faster performance degradation within 1,100 hours in a comparison with long-term thermal annealing studies and electrochemical operation under constant current density. The second task aims at the quantification of the contributions of cell components to the total impedance of a solid oxide fuel cell (SOFC) using electrochemical impedance spectroscopy (EIS) and distribution of relaxation times (DRT). Specifically, the role of gas composition at both anode and cathode was systematically studied, aiming at deconvoluting, identifying and quantifying the contributions of different electrode processes. This was achieved by first tuning the partial pressure of H 2 at the anode and subsequently varying the partial pressure of O 2 at the cathode. The results suggest that, while DRT offers a viable way of deconvoluting different times distributions, additional attention is needed before assigning a peak to a specific electrode process due to the significant overlap of the contributions from the cathode and the anode. Density function theory studies show that both Pr-vacancies and O-defects play a key role on the activity and stability for nickelates towards oxygen reduction reaction. The resident O-interstitials and oxygen ions in the PrO layer form peroxide (O 2 2- ) nearby Pr vacancies. The O 2 2- limits oxygen-ion transport due to the required additional energy to break its O-O bond. We further calculated the formation and segregation energies for different Ln ions (La, Pr, Nd, Pm, Sm, Gd, Tb, Dy, and Ho) in PNO and CeO 2 (111) surfaces. In addition to Nd, Pm and La are suggested as potential dopants in PNO to enhance it stability without decomposition due to their more negative formation energies, lower diffusion energies, and positive separation energies.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Litter Production of Oak-Hickory Forest at Missouri Ozark (MOFLUX) Site: 2003-2022

This dataset contains measurements of litter production at the second-growth upland oak-hickory forest at the Missouri Ozark AmeriFlux (MOFLUX) site. The MOFLUX site is located in the University of Missouri Baskett Forest situated in the Ozark Border Region of central Missouri, USA, and is part of the AmeriFlux network (site ID: US-MOz). During 2003, 24 circular vegetation plots (each 0.08 hectares) were established in the MOFLUX forest. The plots were situated 50 meters apart on 5 linear transects radiating out from the flux tower base in southeast, south, southwest, west, and northwest directions—there were 5 plots per transect except for the northwest one, which had only 4 due to the presence of a small pond at the terminus (Fig. 1). Litter measurements were initiated in October 2003 and continue to the present. Data through 2022 are reported in this dataset. On each plot, two subplots were established for the collection of litter. Subplots were setup using a stratified random design to ensure the collectors were not immediately adjacent to one another. Litter collectors were usually emptied at monthly intervals, or less during the autumn leaf drop. Samples were dried to constant mass and then sorted before determining the dry mass of leaf, vegetative and woody litter. These litter data have been valuable in modeling efforts to examine the impacts of intensifying moisture extremes (i.e., moisture excess and deficit conditions) on soil carbon cycling. More recent data will be added periodically with no changes to previously released data or the format and structure of the data file. This dataset contains one data file in comma separate (.csv) format. Additional metadata are provided: one data dictionary and a file-level metadata file in comma separate (.csv) format and a user guide in PDF (*.pdf) format.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

RAS Protein Molecular Dynamics Simulations

This dataset contains 6401 files that describe parameters and other inputs for running molecular dynamics computer simulations of Ras proteins associated with a lipid-based cell membrane model in water, as well as resulting time-trajectories of atomic motion in these simulations. Specifically, the content includes: (a) 21 files containing generalized force field parameters, and (b) 22 files of similar format and content for each of 290 separate molecular dynamics simulations (22 ´ 290 = 6,380). The total size of this data set is 1.0 TB.

59 BASIC BIOLOGICAL SCIENCES↗