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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Ionic liquid-enhanced recycling of lithium-ion battery black mass via heavy liquid centrifugal separation

Direct recycling of lithium-ion batteries (LIBs) is of great significance to supply chain security and environmental protection by restoring spent battery materials to their original purpose without destroying their chemical structure. One of the key processes for direct recycling is to separate valuable anode and cathode active materials from black mass. This study evaluates ionic liquid-enhanced Heavy Liquid Centrifugal Separation (HLCS) as an efficient method for separating LIB black mass into its constituent anode and cathode materials. The optimized HLCS process achieved a separation efficiency of over 95%, yielding a graphite-rich upper layer and an NMC-rich lower layer. Characterization by thermogravimetric analysis (TGA), X-ray diffraction (XRD), and inductively coupled plasma-optical emission spectroscopy (ICP-OES) confirmed the purity and structural integrity of the recovered fractions. The addition of N-methyl-2-pyrrolidone and ionic liquid 1-ethyl-3-methylimidazolium bromide decoupled entangled particles, while subsequent treatment of the anode layer with 1-(2,3-dihydroxypropyl)-3-methylimidazolium chloride further enhanced separation purity. The recycled graphite exhibited comparable battery performance to pristine graphite. These results demonstrate HLCS as a promising LIB recycling strategy, advancing sustainable battery manufacturing.

Adigun, Babafemi [Univ. of Tennessee, Knoxville, T↗
DOE OSTI2014

Surface inhomogeneities and the electronic phase separated states in thin films of La{sub 0.35}Pr{sub 0.35}Ca{sub 0.3}MnO{sub 3}

We have studied the effects of film thickness and surface inhomogeneities on the fluid and static phase separated states of La{sub 0.35}Pr{sub 0.35}Ca{sub 0.3}MnO{sub 3} films grown on LaAlO{sub 3} and SrTiO{sub 3} substrates which provide compressive and tensile strain, respectively. The shapes and areas of the resistance versus magnetic field hysteresis loops were used to identify the type of phase separated state in the films. Atomic force microscopy revealed an increase of the relative surface roughness of the films with a decreasing thickness. The resultant distribution of the strain produces a dramatic enhancement of the inhomogeneous electronic phase separation as well as large changes in the dependence of the resistivity on magnetic field in the thinnest films deposited on both types of substrates. In contrast to thick films, the static phase separated state in the thinnest films is more inhomogeneous than the fluid phase separated one.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Charge-transfer excitations in low-gap systems under the influence of solvation and conformational disorder: Exploring range-separation tuning

Charge transfer excitations play a prominent role in the fields of molecular electronics and light harvesting. At the same time they have developed a reputation for being hard to predict with time-dependent density functional theory, which is the otherwise predominant method for calculating molecular structure and excitations. Recently, it has been demonstrated that range-separated hybrid functionals, in particular with an “optimally tuned” range separation parameter, describe charge-transfer excitations reliably for different molecules. Many of these studies focused on molecules in vacuum. Here we investigate the influence of solvation on the electronic excitations of thiophene oligomers, i.e., paradigm low gap systems. We take into account bulk solvation using a continuum solvation model and geometrical distortions from molecular dynamics. From our study, three main findings emerge. First, geometrical distortions increase absorption energies by about 0.5 eV for the longer thiophene oligomers. Second, combining optimal tuning of the range separation parameter with a continuum solvation method is not straightforward and has to be approached with great care. Third, optimally tuned range-separated hybrids without a short-range exchange component tend to inherit undesirable characteristics of semi-local functionals: with increasing system size the range separation parameter takes a smaller value, leading to a functional of effectively more semi-local nature and thus not accurately capturing, e.g., the saturation of the optical gap with increasing system size.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Separation of thorium (IV) from lanthanide concentrate (LC) and water leach purification (WLP) residue

Thorium (IV) content in industrial residue produced from rare earth elements production industry is one of the challenges to Malaysian environment. Separation of thorium from the lanthanide concentrate (LC) and Water Leach Purification (WLP) residue from rare earth elements production plant is described. Both materials have been tested by sulphuric acid and alkaline digestions. Th concentrations in LC and WLP were determined to be 1289.7 ± 129 and 1952.9±17.6 ppm respectively. The results of separation show that the recovery of Th separation from rare earth in LC after concentrated sulphuric acid dissolution and reduction of acidity to precipitate Th was found 1.76-1.20% whereas Th recovery from WLP was less than 4% after concentrated acids and alkali digestion processes. Inductively Coupled Plasma-Mass Spectroscopy (ICP-MS) was used to determine Th concentrations in aqueous phase during separation stages. This study indicated that thorium maybe exists in refractory and insoluble form which is difficult to separate by these processes and stays in WLP residue as naturally occurring radioactive material (NORM)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Basis convergence of range-separated density-functional theory

Range-separated density-functional theory (DFT) is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. We study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whereas it is polynomial for the case of the Coulomb interaction. We also study the convergence of the long-range second-order Møller-Plesset correlation energy of four systems (He, Ne, N{sub 2}, and H{sub 2}O) with cardinal number X of the Dunning basis sets cc − p(C)V XZ and find that the error in the correlation energy is best fitted by an exponential in X. This leads us to propose a three-point complete-basis-set extrapolation scheme for range-separated density-functional theory based on an exponential formula.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Phase separation and large deviations of lattice active matter

Off-lattice active Brownian particles form clusters and undergo phase separation even in the absence of attractions or velocity-alignment mechanisms. Arguments that explain this phenomenon appeal only to the ability of particles to move persistently in a direction that fluctuates, but existing lattice models of hard particles that account for this behavior do not exhibit phase separation. Here we present a lattice model of active matter that exhibits motility-induced phase separation in the absence of velocity alignment. Using direct and rare-event sampling of dynamical trajectories, we show that clustering and phase separation are accompanied by pronounced fluctuations of static and dynamic order parameters. In conclusion, this model provides a complement to off-lattice models for the study of motility-induced phase separation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Plasma mass separation

Here, this tutorial describes mechanisms for separating ions in a plasma device with respect to their atomic or molecular mass for practical applications. The focus here is not on separating isotopes of a single atomic species but rather on systems with a much lower mass resolution and a higher throughput. These separation mechanisms include ion gyro-orbit separation, drift-orbit separation, vacuum arc centrifugation, steady-state rotating plasmas, and several other geometries. Generic physics issues are discussed such as the ion charge state, neutrals and molecules, collisions, radiation loss, and electric fields and fluctuations. Generic technology issues are also discussed such as plasma sources and ion heating, and suggestions are made for future research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Progress on observations of interspecies ion separation in inertial-confinement-fusion implosions via imaging x-ray spectroscopy

We report on the analyses of x-ray-imaging spectroscopy data from experiments to study interspecies ion separation in direct-drive inertial-confinement-fusion experiments on the Omega laser facility. This is a continuation of recent, related research [S. C. Hsu et al., Euro Phys. Lett. 115, 65001 (2016); T. R. Joshi et al., Phys. Plasmas 24, 056305 (2017)]. The targets were argon (Ar)-doped, deuterium (D2)-filled spherical plastic shells of varying D2-Ar relative and total gas pressures. We used a time- and space-integrated spectrometer, streaked crystal spectrometer, and up to three time-gated multi-monochromatic x-ray imagers (MMIs) fielded along different lines of sight to record x-ray spectral features obtained from the implosions. The MMI data were recorded between first-shock convergence and slightly before the neutron bang time. We confirm the presence of interspecies ion separation as reported in our recent work. Extensions to the previous work include (a) the inclusion of shell mix in the data analysis, which slightly changes the amount of inferred species separation, (b) observation of species separation closer to the neutron bang time, and (c) fielding of the particle x-ray temporal diagnostic (PXTD) [H. Sio et al., Rev. Sci. Instrum. 87, 11D701 (2016)] to infer the relative timing between the neutron bang time and peak x-ray emission. Experimentally inferred species separation is compared with radiation-hydrodynamic simulations that include a multi-ion-species transport model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Impact of particle arrays on phase separation composition patterns

We examine the symmetry-breaking effect of fixed constellations of particles on the surface-directed spinodal decomposition of binary blends in the presence of particles whose surfaces have a preferential affinity for one of the components. Our phase-field simulations indicate that the phase separation morphology in the presence of particle arrays can be tuned to have a continuous, droplet, lamellar, or hybrid morphology depending on the interparticle spacing, blend composition, and time. In particular, when the interparticle spacing is large compared to the spinodal wavelength, a transient target pattern composed of alternate rings of preferred and non-preferred phases emerges at early times, tending to adopt the symmetry of the particle configuration. We reveal that such target patterns stabilize for certain characteristic length, time, and composition scales characteristic of the pure phase-separating mixture. To illustrate the general range of phenomena exhibited by mixture-particle systems, we simulate the effects of single-particle, multi-particle, and cluster–particle systems having multiple geometrical configurations of the particle characteristic of pattern substrates on phase separation. Our simulations show that tailoring the particle configuration, or substrate pattern configuration, a relative fluid-particle composition should allow the desirable control of the phase separation morphology as in block copolymer materials, but where the scales accessible to this approach of organizing phase-separated fluids usually are significantly larger. Limited experiments confirm the trends observed in our simulations, which should provide some guidance in engineering patterned blend and other mixtures of technological interest.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Dean vortex-enhanced blood plasma separation in self-driven spiral microchannel flow with cross-flow microfilters

Point-of-care (POC) diagnostic devices have been developing rapidly in recent years, but they are mainly using saliva instead of blood as a test sample. A highly efficient self-separation during the self-driven flow without power systems is desired for expanding the point-of-care diagnostic devices. Microfiltration stands out as a promising technique for blood plasma separation but faces limitations due to blood cell clogging, resulting in reduced separation speed and efficiency. These limitations are mainly caused by the high viscosity and hematocrit in the blood flow. A small increment in the hematocrit of the blood significantly increases the pressure needed for the blood plasma separation in the micro-filters and decreases the separation speed and efficiency. Addressing this challenge, this study explores the feasibility of diluting whole blood within a microfluidic device without external power systems. This study implemented a spiral microchannel utilizing the inertial focusing and Dean vortex effects to focus the red blood cells and extract the blood with lower hematocrit. The inertial migration of the particles during the capillary flow was first investigated experimentally; a maximum of 88% of the particles migrated to the bottom and top equilibrium positions in the optimized 350 × 60 μm (cross-sectional area, 5.8 aspect ratio) microchannel. With the optimized dimension of the microchannel, the whole blood samples within the physiological hematocrit range were tested in the experiments, and more than 10% of the hematocrit reduction was compared between the outer branch outlet and inner branch outlet in the 350 × 60 μm microchannel.

Biochemistry & Molecular Biology↗
DOE OSTI2013

MILLIONS OF MULTIPLES: DETECTING AND CHARACTERIZING CLOSE-SEPARATION BINARY SYSTEMS IN SYNOPTIC SKY SURVEYS

The direct detection of binary systems in wide-field surveys is limited by the size of the stars' point-spread functions (PSFs). A search for elongated objects can find closer companions, but is limited by the precision to which the PSF shape can be calibrated for individual stars. Based on a technique from weak-lensing analysis, we have developed the BinaryFinder algorithm to search for close binaries by using precision measurements of PSF ellipticity across wide-field survey images. We show that the algorithm is capable of reliably detecting binary systems down to Almost-Equal-To 1/5 of the seeing limit, and can directly measure the systems' position angles, separations, and contrast ratios. To verify the algorithm's performance we evaluated 100,000 objects in Palomar Transient Factory (PTF) wide-field-survey data for signs of binarity, and then used the Robo-AO robotic laser adaptive optics system to verify the parameters of 44 high-confidence targets. We show that BinaryFinder correctly predicts the presence of close companions with a <11% false-positive rate, measures the detected binaries' position angles within 1 Degree-Sign to 4 Degree-Sign (depending on signal-to-noise ratio and separation), and separations within 25%, and weakly constrains their contrast ratios. When applied to the full PTF data set, we estimate that BinaryFinder will discover and characterize {approx}450,000 physically associated binary systems with separations <2 arcsec and magnitudes brighter than m{sub R} = 18. New wide-field synoptic surveys with high sensitivity and sub-arcsecond angular resolution, such as LSST, will allow BinaryFinder to reliably detect millions of very faint binary systems with separations as small as 0.1 arcsec.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Fast ground-state-to-ground-state separation of small ion crystals

Rapid separation of linear crystals of trapped ions into different subsets is critical for realizing trapped ion quantum computing architectures where ions are rearranged in trap arrays to achieve all-to-all connectivity between qubits. Here we introduce a general theoretical framework that can be used to describe the separation of same-species and mixed-species crystals into smaller subsets. The framework relies on an efficient description of the evolution of Gaussian motional states under quadratic Hamiltonians that only requires a special solution of the classical equations of motion of the ions to describe their quantum evolution under the influence of a time-dependent applied potential and the ions' mutual Coulomb repulsion. We provide time-dependent applied potentials suitable for separation of a mixed-species three-ion crystal on timescales similar to that of free expansion driven by Coulomb repulsion, with all modes along the crystal axis starting and ending close to their ground states. Three separately confined mixed-species ions can be combined into a crystal held in a single well without energy gain by time-reversal of this separation process.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Deuteron-α scattering: Separable versus nonseparable Faddeev approach

Deuteron-induced reactions are widely used to probe nuclear structure and astrophysical information. Those (d,p) reactions may be viewed as three-body reactions and described with Faddeev techniques. Faddeev-AGS equations in momentum space have a long tradition of utilizing separable interactions in order to arrive at sets of coupled integral equations in one variable. However, it needs to be demonstrated that observables calculated based on separable interactions agree exactly with those based on nonseparable forces. Momentum space AGS equations are solved with separable and nonseparable forces as coupled integral equations. Deuteron-α scattering is calculated via momentum space AGS equations using the CD-Bonn neutron-proton force and a Woods-Saxon type neutron(proton)- 4 He force, for which the Pauli-forbidden S-wave bound state is projected out. Elastic as well as breakup observables are calculated and compared to results in which the interactions in the two-body sub-systems are represented by separable interactions derived in the Ernst-Shakin-Thaler (EST) framework. We find that the calculations based on the separable representation of the interactions and the original interactions give results that are in excellent agreement. Specifically, integrated cross sections and angular distributions for elastic scattering agree within ≈ 1 %, which is well below typical experimental errors. In addition, the fivefold differential cross sections corresponding to breakup of the deuteron agree extremely well.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Li 6 in a three-body model with realistic Forces: Separable versus nonseparable approach

Background: Deuteron induced reactions are widely used to probe nuclear structure and astrophysical information. Those (d, p) reactions may be viewed as three-body reactions and described with Faddeev techniques. Purpose: Faddeev equations in momentum space have a long tradition of utilizing separable interactions in order to arrive at sets of coupled integral equations in one variable. However, it needs to be demonstrated that their solution based on separable interactions agrees exactly with solutions based on nonseparable forces. Methods: Momentum space Faddeev equations are solved with nonseparable and separable forces as coupled integral equations. Results: The ground state of 6 Li is calculated via momentum space Faddeev equations using the CD-Bonn neutron-proton force and a Woods-Saxon type neutron(proton)- 4 He force. For the latter the Pauli-forbidden S -wave bound state is projected out. This result is compared to a calculation in which the interactions in the two-body subsystems are represented by separable interactions derived in the Ernst-Shakin-Thaler (EST) framework. Conclusions: We find that calculations based on the separable representation of the interactions and the original interactions give results that agree to four significant figures for the binding energy, provided that energy and momentum support points of the EST expansion are chosen independently. The momentum distributions computed in both approaches also fully agree with each other.

6 ≤ A ≤ 19↗
DOE OSTI2023

Comparing Experimental Results for Large Particle Separation from Non-Newtonian Slurries Using Full and Tapered Bump Arrays

To separate particles from carrier fluids arrays of staggered posts inserted into the flow stream can be employed. The smaller particles follow the flow stream while the larger particles move laterally to one side. During flow, the concentration of particulate increases in one direction and decreases in the other crosswise direction. This technique separates the particles from the carrier fluid. Experiments using a slurry with non-Newtonian rheology were conducted to evaluate large particle separation from the non-Newtonian carrier fluid using bump arrays. The bentonite kaolin clay slurry with non-Newtonian rheology was spiked with large diameter inert glass particles. Experiments with flow through lateral displacement arrays evaluated the performance of particle separation using two array configurations: a full array with all posts and a tapered array with posts removed in a triangular portion of the array past the rows of anticipated particle of separation. The posts are staggered posts to promote particle segregation to one side of the flow channel. Using this type of array for removing particles from non-Newtonian yield stress slurries is novel and we present unique results. In this paper, the performance of full and tapered arrays are compared. These results have many industrial applications including removing particles from slurries of nuclear waste. Large particle removal is an important step in waste processing.

slurry, solids removal, deterministic lateral disp↗
DOE OSTI2024

Mesofluidic Oil-Water Separation

Separating flowing multiphase solutions in process at industrial scale is challenging. A rapid continuous approach is desired. These mesofluidic oil-water separation tests were motivated by reports by Dijkshoorn et al [1] who reported separating droplets and particles using displacement with regularly spaced channels using a cross-flow microsieve.. Droplets, including deformable particles, larger than the channel migrate in one direction and thereby deplete in the other direction. Test flowrates were motivated by Burns et al. [4] who showed that separation could occur under laminar conditions, and Pease et al [8, 9] who extended the range to turbulent flow. Testing was conducted using two two-component oil-water mixtures at room temperature. Analysis showed separation of both mineral oils from their oil water mixtures at flowrates from 1-2 L/min and concentrations from 2-10 wt% oil in water.

cloud height, effective cleaning radius, effective↗
DOE OSTI2014

WE-G-18C-07: Accelerated Water/fat Separation in MRI for Radiotherapy Planning Using Multi-Band Imaging Techniques

Purpose: Dixon sequences are used to characterize disease processes, obtain good fat or water separation in cases where fat suppression fails and to obtain pseudo-CT datasets. Dixon's method uses at least two images acquired with different echo times and thus requires prolonged acquisition times. To overcome associated problems (e.g., for DCE/cine-MRI), we propose to use a method for water/fat separation based on spectrally selective RF pulses. Methods: Two alternating RF pulses were used, that imposes a fat selective phase cycling over the phase encoding lines, which results in a spatial shift for fat in the reconstructed image, identical to that in CAIPIRINHA. Associated aliasing artefacts were resolved using the encoding power of a multi-element receiver array, analogous to SENSE. In vivo measurements were performed on a 1.5T clinical MR-scanner in a healthy volunteer's legs, using a four channel receiver coil. Gradient echo images were acquired with TE/TR = 2.3/4.7ms, flip angle 20°, FOV 45×22.5cm{sup 2}, matrix 480×216, slice thickness 5mm. Dixon images were acquired with TE,1/TE,2/TR=2.2/4.6/7ms. All image reconstructions were done in Matlab using the ReconFrame toolbox (Gyrotools, Zurich, CH). Results: RF pulse alternation yields a fat image offset from the water image. Hence the water and fat images fold over, which is resolved using in-plane SENSE reconstruction. Using the proposed technique, we achieved excellent water/fat separation comparable to Dixon images, while acquiring images at only one echo time. Conclusion: The proposed technique yields both inphase water and fat images at arbitrary echo times and requires only one measurement, thereby shortening the acquisition time by a factor 2. In future work the technique may be extended to a multi-band water/fat separation sequence that is able to achieve single point water/fat separation in multiple slices at once and hence yields higher speed-up factors.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-T-637: Single-Isocenter Versus Multiple-Isocenter VMAT SRS for Unusual Multiple Metastasis Case with Two Widely Separated Lesions

Purpose: Single-isocenter (SI) volumetric modulated arc therapy has been shown to be an effective and efficient approach to multiple metastasis radiosurgery. However, certain extreme cases raise the question of whether multiple-isocenter (MI) approaches can still generate superior plans. In this study, we ask this question with respect to a clinical case with two very widely separated lesions. Methods: A patient with two widely separated (d = 12cm) tumors was treated with SI-VMAT SRS using 10MV flattening filter free (FFF) beam with high-definition multi-leaf collimator (HD-MLC, 2.5/5mm) in two non-coplanar arcs using concentric rings to enforce steep gradient. Because of lesion positioning with respect to collimator angle selection, lesions were treated by 5mm leaves. We re-planned the case with a congruent arc arrangement but separate isocenter for each lesion. In this manner, lesions were treated by 2.5mm leaves. Conformity index (CI), V50%, and mean brain dose were compared. Results: Neither conformity (CI-SI = 1.12, CI-MI = 1.08) nor V50% (V50%-SI =8.82cc, V50%-MI =8.81cc) were improved by utilizing a separate isocenter for each lesion. Mean brain dose was slightly reduced (dmean-SI = 118.4 cGy, dmean-MI = 88.7 cGy) by using multiple isocenters. Conclusion: For this case with a lesion at the apex of the brain and another distantly located at the base of skull, employing a separate isocenter for each target did not meaningfully improve plan quality. Single-isocenter VMAT has been shown feasible and equivalent to multiple-isocenter VMAT for multiple metastasis cases in general. In this extreme case, single- and multiple- isocenter VMAT were also equivalent. If rotational setup errors are appropriately corrected, the increased delivery efficiency of the single-isocenter approach renders it preferable to the multiple isocenter approach. Dr’s Thomas, Popple, and Fiveash have all received honoraria from Varian Medical Systems for discussing their experiences with stereotactic radiosurgery.

60 APPLIED LIFE SCIENCES↗