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Results for “separation science”
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Supercritical Fluid Separation and Purification of Rare Earth Elements, particularly Lanthanides including 177-Lu, to Lower Energy Consumption and Reduce Waste
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Multi-beam X-ray ptychography using coded probes for rapid non-destructive high resolution imaging of extended samples
Imaging large areas of a sample non-destructively and with high resolution is of great interest for both science and industry. For scanning coherent X-ray diffraction microscopy, i. e., ptychography, the achievable scan area at a given spatial resolution is limited by the coherent photon flux of modern X-ray sources. Multibeam X-ray ptychography can improve the scanning speed by scanning the sample with several parallel mutually incoherent beams, e. g., generated by illuminating multiple focusing optics in parallel by a partially coherent beam. The main difficulty with this scheme is the robust separation of the superimposed signals from the different beams, especially when the beams and the illuminated sample areas are quite similar. We overcome this difficulty by encoding each of the probing beams with its own X-ray phase plate. This helps the algorithm to robustly reconstruct the multibeam data. We compare the coded multibeam scans to uncoded multibeam and single beam scans, demonstrating the enhanced performance on a microchip sample with regular and repeating structures.
Conductivity and Transference Numbers in Lithium Salt-Doped Block Copolymeric Ionic Liquid Electrolytes
We present multiscale molecular dynamics simulation results comparing the conductivity and transference numbers in lithium salt-doped polymeric ionic liquids (PolyILs) and the lamellar phases of block copolymeric ionic liquids (coPolyILs). In both systems, the anion mobilities decreased with salt loading. Lithium ions exhibited negative mobilities in both systems, but the magnitudes decreased with an increase in salt concentrations. More interestingly, the anion mobilities were lower in the lamellar systems compared to homopolymers in magnitude, but the lithium ion mobilities and transference numbers were less negative in such systems. We examine the anion–cation and lithium–anion interactions in terms of radial distribution functions, coordination characteristics, and ion-pair relaxation timescales. Based on such analyses, we rationalize the salt concentration dependencies as a result of the interfacial interactions in lamellar systems and the competition between anion–cation and lithium–anion interactions in both PolyILs and coPolyILs. Altogether, the findings presented in this study demonstrate that the modified anion–cation and lithium–anion interactions in the microphase-separated coPolyILs may provide a strategy for realizing higher lithium ion transference numbers relative to the homopolymeric counterparts.
A Pair of 2D Quantum Liquids: Investigating the Phase Behavior of Indirect Excitons
Long-lived indirect excitons (IXs) exhibit a rich phase diagram, including a Bose–Einstein condensate (BEC), a Wigner crystal, and other exotic phases. Recent experiments have hinted at a “classical” liquid of IXs above the BEC transition. To uncover the nature of this phase, we use a broad range of theoretical tools and find no evidence of a driving force toward classical condensation. Instead, we attribute the condensed phase to a quantum electron–hole liquid (EHL), first proposed by Keldysh for direct excitons. Taking into account the association of free carriers into bound excitons, we study the phase equilibrium between a gas of excitons, a gas of free carriers, and an EHL for a wide range of electron–hole separations, temperatures, densities, and mass ratios. Our results agree reasonably well with recent measurements of GaAs/AlGaAs coupled quantum wells.
Density-Matrix Model for Photon-Driven Transport in Quantum Cascade Lasers
In this report we develop a time-dependent density-matrix model to study photon-assisted (PA) electron transport in quantum cascade lasers. The Markovian equation of motion for the density matrix in the presence of an optical field is solved for an arbitrary field amplitude. Level-broadening terms emerge from microscopic Hamiltonians and supplant the need for empirical parameters that are often employed in related approaches. We show that, in quantum cascade lasers with diagonal design, photon resonances have a pronounced impact on electron dynamics around and above the lasing threshold, an effect that stems from the large spatial separation between the upper and lower lasing states. With the inclusion of PA tunneling, the calculated current density and output power are in good agreement with experiment.
DAP: Cosmic Plastics D33/6120 vs. Sumitomo Bakelite 52-01
As soon as you lay eyes on the two data sheets for these materials, Cosmic D33/6120 and Sumitomo Bakelite 52-01, there are some pretty clear differences in mechanical, thermal, electrical, and physical properties. There are three distinct hypotheses relating to why the plastics are so distinctly different from one another: 1. unique composition; 2. different molding procedure; and 3. separate molding parameters A closer look into each of these hypotheses is necessary in explaining why the Sumitomo Bakelite and Cosmic DAPs are so different from one another.
Belowground respiration, root traits, and soil characteristics of an East Tennessee deciduous forest, 2019-2020
This dataset contains empirical physiological, morphological, and chemical data of root systems, and elemental, nutrient content for soils collected on forty individuals of eight temperate tree species, between June 2019 and July 2020 at The University of Tennessee Forest Research Center and Arboretum in Oak Ridge, Tennessee. The project used a novel methodology to empirically derive estimates of the autotrophic and heterotrophic components of soil respiration in-situ. The project consists of two measurement approaches. The first set of measurements uses a standard approach for measuring specific root respiration on excised root systems. The second used “in-situ root trays” This dataset includes 10 data files in comma separate (*.csv) ASCII format. Data include measurements of leaf and root functional traits for excised root systems and for living root systems housed within in-situ root trays, data on soil carbon and nitrogen pools, in-situ measurements of soil moisture and temperature, data on soil respiration rates for in-situ root trays (both as soil mass-based fluxes, and soil-area based fluxes), and data on the geographic coordinates and tree sizes of study trees. Forty study trees of eight temperate tree species were studied (five individuals per species). Two in-situ root trays were installed per species, each housing one entire root system comprising < 3 root orders, and still being attached to the tree via transportive root. All respiration measurements were conducted with the Li-6800 portable photosynthesis system (Li-COR, Lincoln, NE, USA). Root respiration measurements of excised root tissues were made using the Li-6800 and the Walz 3010-GWK1 gas exchange chamber (Heinz Walz GmbH, Effeltrich, Germany). Root scan images were analyzed using WinRHIZO. These images are companion files to this dataset and are contained in two compressed (*.zip) folders. Additional metadata are provided: 10 data dictionaries and a file-level metadata file in comma separate (*.csv) format and a user guide in PDF (*.pdf) format.
Predictions for the Detectability of Milky Way Satellite Galaxies and Outer-Halo Star Clusters with the Vera C. Rubin Observatory
We predict the sensitivity of the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) to faint, resolved Milky Way satellite galaxies and outer-halo star clusters. We characterize the expected sensitivity using simulated LSST data from the LSST Dark Energy Science Collaboration (DESC) Data Challenge 2 (DC2) accessed and analyzed with the Rubin Science Platform as part of the Rubin Early Science Program. We simulate resolved stellar populations of Milky Way satellite galaxies and outer-halo star clusters over a wide range of sizes, luminosities, and heliocentric distances, which are broadly consistent with expectations for the Milky Way satellite system. We inject simulated stars into the DC2 catalog with realistic photometric uncertainties and star/galaxy separation derived from the DC2 data itself. We assess the probability that each simulated system would be detected by LSST using a conventional isochrone matched-filter technique. We find that assuming perfect star/galaxy separation enables the detection of resolved stellar systems with $M_V$ = 0 mag and $r_{1/2}$ = 10 pc with >50% efficiency out to a heliocentric distance of ~250 kpc. Similar detection efficiency is possible with a simple star/galaxy separation criterion based on measured quantities, although the false positive rate is higher due to leakage of background galaxies into the stellar sample. When assuming perfect star/galaxy classification and a model for the galaxy-halo connection fit to current data, we predict that 89 +/- 20 Milky Way satellite galaxies will be detectable with a simple matched-filter algorithm applied to the LSST wide-fast-deep data set. Different assumptions about the performance of star/galaxy classification efficiency can decrease this estimate by ~7%-25%, which emphasizes the importance of high-quality star/galaxy separation for studies of the Milky Way satellite population with LSST.
Fusion Materials Semiannual Progress Report for the Period Ending June 30, 2023
This is the seventy-fourth in a series of semiannual technical progress reports on fusion materials science activity supported by the Fusion Energy Sciences Program of the U.S. Department of Energy. It covers the period ending June 30, 2023. This report focuses on research addressing the effects on materials properties and performance of exposure to the neutronic, thermal and chemical environments anticipated in the chambers of fusion experiments and energy systems. This research is a major element of the national effort to establish the materials knowledge base for an economically and environmentally attractive fusion energy source. Research activities on issues related to the interaction of materials with plasmas are reported separately. The results reported are the products of a national effort involving a number of national laboratories and universities. A large fraction of this work, particularly in relation to fission reactor irradiations, is carried out collaboratively with partners in Japan, Russia, and the European Union. The purpose of this series of reports is to provide a working technical record for the use of program participants, and to provide a means of communicating the efforts of fusion materials scientists to the broader fusion community, both nationally and worldwide.
Efficient loading of reduced data ensembles produced at ORNL SNS/HFIR neutron time-of-flight facilities
We present algorithmic improvements to the loading operations of certain reduced data ensembles produced from neutron scattering experiments at Oak Ridge National Laboratory (ORNL) facilities. Ensembles from multiple measurements are required to cover a wide range of the phase space of a sample material of interest. They are stored using the standard NeXus schema on individual HDF5 files. This makes it a scalability challenge, as the number of experiments stored increases in a single ensemble file. The present work follows up on our previous efforts on data management algorithms, to address identified input output (I/O) bottlenecks in Mantid, an open-source data analysis framework used across several neutron science facilities around the world. We reuse an in-memory binary-tree metadata index that resembles data access patterns, to provide a scalable search and extraction mechanism. In addition, several memory operations are refactored and optimized for the current common use cases, ranging most frequently from 10 to 180, and up to 360 separate measurement configurations. Results from this work show consistent speed ups in wall-clock time on the Mantid LoadMD routine, ranging from 19% to 23% on average, on ORNL production computing systems. The latter depends on the complexity of the targeted instrument-specific data and the system I/O and compute variability for the shared computational resources available to users of ORNL’s Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR) instruments. Nevertheless, we continue to highlight the need for more research to address reduction challenges as experimental data volumes, user time and processing costs increase.
University of Nebraska unmanned aerial system (UAS) profiling during the LAPSE-RATE field campaign
Abstract. This paper describes the data collected by the University of Nebraska-Lincoln (UNL) as part of the field deployments during the Lower Atmospheric Process Studies at Elevation – a Remotely-piloted Aircraft Team Experiment (LAPSE-RATE) flight campaign in July 2018. The UNL deployed two multirotor unmanned aerial systems (UASs) at multiple sites in the San Luis Valley (Colorado, USA) for data collection to support three science missions: convection initiation, boundary layer transition, and cold air drainage flow. We conducted 172 flights resulting in over 21 h of cumulative flight time. Our novel design for the sensor housing onboard the UAS was employed in these flights to meet the aspiration and shielding requirements of the temperature and humidity sensors and to separate them from the mixed turbulent airflow from the propellers. Data presented in this paper include timestamped temperature and humidity data collected from the sensors, along with the three-dimensional position and velocity of the UAS. Data are quality-controlled and time-synchronized using a zero-order-hold interpolation without additional post-processing. The full dataset is also made available for download at https://doi.org/10.5281/zenodo.4306086 (Islam et al., 2020).
Proton Selective Nanoporous Atomically Thin Graphene Membranes for Vanadium Redox Flow Batteries
Angstrom-scale proton-selective pores in atomically thin 2D materials present fundamentally new opportunities for advancing proton exchange membranes (PEMs). Vanadium Redox Flow Batteries (VRFBs) for grid-scale energy storage require PEMs with high areal proton conductance (>1 S cm −2 ) and minimal vanadium ion (VO 2+ ) crossover. However, state-of-the-art Nafion 212 membranes (N212 ≈50 µm thick), suffer from persistent VO 2+ crossover reducing performance and efficiency. Here, a layered PEM is demonstrated, comprising monolayer CVD graphene with Angstrom-scale proton-selective pores introduced via Ar plasma, integrated with an ultra-thin ≈300 nm polybenzimidazole (PBI) layer and sandwiched between two Nafion 211 (25 µm thick) layers. The layered architecture facilitates scalable membrane fabrication by mitigating defects while processing and facile stacking of graphene layers allows stochastic non-selective defect isolation enabling exceptionally low VO 2+ crossover (selectivity (H + areal conductance / VO 2+ permeability) ≈6709 × 10 6 S min cm −4 ), with proton conductance >8 S cm −2 . Systematic transport experiments supported by resistance-based transport modelling elucidate the role of defect size, defect isolation, and sealing, as well as layering/stacking, to enable orders of magnitude (>671× over N212) improvements in selectivity, along with areal proton conductance >8 S cm −2 . This work highlights the potential of atomic-scale proton-selective defect engineering in 2D materials, in conjunction with facile stacking and layering of materials as strategies for scalable, high-performance advances in PEMs for energy, electrochemical, and separation applications beyond VRFBs.
Sequential Separation of Linear, Mono–, and Di–Branched Hexane Isomers on a Robust Coordination Polymer with Nonbonding Flexibility
Efficient separation of hexane isomers is a crucial process for upgrading gasoline. Herein, the sequential separation of linear, mono-, and di-branched hexane isomers by a robust stacked 1D coordination polymer termed as Mn-dhbq ([Mn(dhbq)(H 2 O) 2 ], H 2 dhbq = 2,5-dihydroxy-1,4-benzoquinone) is reported. The interchain space of the activated polymer is of optimal aperture size (5.58 Å) that could exclude 2,3-dimethylbutane, while the chain structure can discriminate n-hexane with high capacity (1.53 mmol g –1 at 393 K, 6.67 kPa) by high-density open metal sites (5.18 mmol g –1 ). With the temperature- and adsorbate-dependent swelling of interchain spaces, the affinity between 3-methylpentane and Mn-dhbq can be deliberately controlled from sorption to exclusion, and thus a complete separation of ternary mixture can be achieved. Column breakthrough experiments confirm the excellent separation performance of Mn-dhbq. Furthermore, the ultrahigh stability and easy scalability further highlight the application prospect of Mn-dhbq for separation of hexane isomers.
Persistence of crystal orientations across sub-micron-scale "super-grains" in self-organized Cu-W nanocomposites
We use precession electron diffraction to investigate the crystallographic character of copper (Cu)-tungsten (W) nanocomposites fabricated via physical vapor co-deposition at 400 oC. We observe sub-micron-scale regions, where apparently disconnected Cu and W grains have near identical crystallographic orientations. This persistence of grain orientations suggests Cu and W grains within these regions are interconnected in 3-D when they first form and may be considered as intercalated, sub-micron-scale "super-grains". Indeed, atom probe tomography provides direct evidence of 3-D interconnectivity of W domains. Our findings shed light on the structure and self organization mechanisms of nanocomposites formed by spontaneous phase separation of co-deposited metals.
Hermetically sealed porous-wall hollow microspheres enabled by monolithic glass coatings: Potential for thermal insulation applications
Thermal insulation materials are crucial to improve the energy performance of buildings and industrial applications. We report an approach to create hermetically vacuum-sealed silica-based hollow microspheres that can lower the thermal conductivity of closed-cell insulation materials. The wall structure of these hollow microspheres includes a reticulated network of pores or channels that extend through the thickness of the wall. When a thin layer of glass material is applied to the wall exterior, followed by a vacuum-assisted thermal treatment process, the coated microsphere surfaces display a highly dense conformal coverage and near-complete elimination of surface porosity. The sealing efficiency of these microspheres is verified by trapping argon within their cavities as well as through evacuating their hollow cores. Notably, incorporating the evacuated microspheres into a polymer matrix resulted in ~27% enhancement in its thermal insulation performance and no notable loss of performance was observed following three months of exposure to ambient conditions. Thus, we believe that the present study offers a commercially viable strategy that opens the door to applications of such inorganic hollow particles in areas ranging from vacuum-based thermal insulation systems to catalysis, separation technologies, and medical fields.
Coupling nitrate capture with ammonia production through bifunctional redox-electrodes
Abstract Nitrate is a ubiquitous aqueous pollutant from agricultural and industrial activities. At the same time, conversion of nitrate to ammonia provides an attractive solution for the coupled environmental and energy challenge underlying the nitrogen cycle, by valorizing a pollutant to a carbon-free energy carrier and essential chemical feedstock. Mass transport limitations are a key obstacle to the efficient conversion of nitrate to ammonia from water streams, due to the dilute concentration of nitrate. Here, we develop bifunctional electrodes that couple a nitrate-selective redox-electrosorbent (polyaniline) with an electrocatalyst (cobalt oxide) for nitrate to ammonium conversion. We demonstrate the synergistic reactive separation of nitrate through solely electrochemical control. Electrochemically-reversible nitrate uptake greater than 70 mg/g can be achieved, with electronic structure calculations and spectroscopic measurements providing insight into the underlying role of hydrogen bonding for nitrate selectivity. Using agricultural tile drainage water containing dilute nitrate (0.27 mM), we demonstrate that the bifunctional electrode can achieve a 8-fold up-concentration of nitrate, a 24-fold enhancement of ammonium production rate (108.1 ug h −1 cm −2 ), and a >10-fold enhancement in energy efficiency when compared to direct electrocatalysis in the dilute stream. Our study provides a generalized strategy for a fully electrified reaction-separation pathway for modular nitrate remediation and ammonia production.
p14 ARF forms meso-scale assemblies upon phase separation with NPM1
NPM1 is an abundant nucleolar chaperone that, in addition to facilitating ribosome biogenesis, contributes to nucleolar stress responses and tumor suppression through its regulation of the p14 Alternative Reading Frame tumor suppressor protein (p14 ARF ). Oncogenic stress induces p14 ARF to inhibit MDM2, stabilize p53 and arrest the cell cycle. Under non-stress conditions, NPM1 stabilizes p14 ARF in nucleoli, preventing its degradation and blocking p53 activation. However, the mechanisms underlying the regulation of p14 ARF by NPM1 are unclear because the structural features of the p14 ARF -NPM1 complex were elusive. Here we show that p14 ARF assembles into a gel-like meso-scale network upon phase separation with NPM1. This assembly is mediated by intermolecular contacts formed by hydrophobic residues in an α-helix and β-strands within a partially folded N-terminal portion of p14 ARF . These hydrophobic interactions promote phase separation with NPM1, enhance p14 ARF nucleolar partitioning, restrict NPM1 diffusion within condensates and nucleoli, and reduce cellular proliferation. Our structural analysis provides insights into the multifaceted chaperone function of NPM1 in nucleoli by mechanistically linking the nucleolar localization of p14 ARF to its partial folding and meso-scale assembly upon phase separation with NPM1.