SEARCH · Search NASA
Results for “Splitting”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Splitting Mono- and Di-Branched Alkane Isomers by a Robust Aluminum-Based Metal-Organic Framework Material with Optimal Pore Dimensions
The separation of alkanes with different degrees of branching, particularly mono- and dibranched isomers, represents a challenging yet important industrial process for the production of premium gasoline blending components with high octane number. We report here the separation of linear/monobranched and dibranched alkanes through complete molecular sieving by a robust aluminum-based MOF material, Al-bttotb (H 3 bttotb = 4,4',4"-(benzene-1,3,5-triyltris(oxy))tribenzoicacid). Single- and multicomponent adsorption experiments reveal that the material adsorbs linear and monobranched alkanes, but fully excludes their dibranched isomers. Adsorption sites of alkanes within the MOF channels have been identified by single-crystal X-ray diffraction studies, and the adsorption mechanism was explored through computational calculations and modeling. The highly selective adsorption of the MOF should be attributed to its optimal pore dimensions.
Search for chargino-neutralino production with mass splittings near the electroweak scale in three-lepton final states in root s=13 TeV pp collisions with the ATLAS detector
Explore the source record for details and available documents.
Quantum Theory of Semiconductor Photo-Catalysis and Solar Water Splitting / Theory and Computation for Semiconductor Catalysis of Solar Water Splitting / Static and Dynamic Thermal Effects in Solids. Final Report
This is the final report. The finished research was published in 27 journal papers listed below. The topics fall roughly into seven categories: Photochemistry of water at the GaN ($10\bar{1}0$) surface; Quasiparticles: Band electrons and Anharmonic phonons; Quasiharmonic theory; Anharmonic lattice thermal conductivity; Water and Ice; Electron-phonon effects; and, Alloy theory.
Subnanometer catalytic clusters for water splitting, method for splitting water using subnanometer catalyst clusters
The invention provides a catalytic electrode for converting molecules, the electrode comprising a predetermined number of single catalytic sites supported on a substrate. Also provided is a method for oxidizing water comprising contacting the water with size selected catalyst clusters. The invention also provides a method for reducing an oxidized moiety, the method comprising contacting the moiety with size selected catalyst clusters at a predetermined voltage potential.
Prediction of low-Z collinear and noncollinear antiferromagnetic compounds having momentum-dependent spin splitting even without spin-orbit coupling
The over 60 years old Rashba-Dresselhaus effect predicts spin-orbit coupling (SOC) induced momentum-dependent spin splitting and spin polarization in materials with noncentrosymmetric structures. Strong SOC induced effects usually require high-atomic number (Z) elements such as rare-earth elements. It has recently been pointed out that antiferromagnets could hold SOC-independent spin splitting and spin polarization. In the present work we develop the spatial and magnetic symmetry conditions enabling such antiferromagnet (AFM)-induced spin splitting, dividing the 1651 magnetic space groups into seven different spin splitting prototypes (SST-1 to SST-7). This analysis places the physics of AFM spin splitting (SST-4) within the broader context of symmetry conditions that enable the more familiar forms of spin splitting, such as ferromagnetic Zeeman effect (SST-5), nonmagnetic no spin splitting (SST-6), and the nonmagnetic Rashba and Dresselhaus effects (SST-7). The AFM-induced spin splitting and spin polarization do not necessarily require breaking of inversion symmetry or the presence of SOC, hence can exist even in centrosymmetric, low-Z light element compounds, considerably broadening the material base for spin manipulations. We use the “inverse design” approach of first formulating the target property (here, spin splitting in low-Z compounds not restricted to low symmetry structures), then derive the enabling physical design principles—the magnetic symmetry conditions—to search realizable compounds that satisfy these a priori design principles. This process uncovers 422 magnetic space groups (160 centrosymmetric and 262 noncentrosymmetric) that could hold AFM-induced, SOC-independent spin splitting and spin polarization. We then search for stable compounds following such enabling symmetries. We investigate the electronic and spin structures of some selected prototype compounds by density functional theory (DFT) and find spin textures that are different than the traditional Rashba-Dresselhaus patterns and exist even in the absence of SOC effect. We provide the DFT results for all antiferromagnetic spin splitting prototypes (SST-1, SST-2, SST-3, SST-4), and concentrate on two limits of SST-4 that are particularly unusual: When spin splitting is momentum dependent (just like the Rashba effect) but is enabled in antiferromagnets even in the absence of SOC in the Hamiltonian. This includes examples of (a) centrosymmetric SST-4A compounds (e.g., orthorhombic LaMnO 3 illustrating collinear AFM, as well as cubic NiS 2 illustrating noncollinear AFM) and (b) noncentrosymmetric SST-4B compounds (e.g., rhombohedral MnTiO 3 illustrating collinear AFM and hexagonal ScMnO 3 illustrating noncollinear AFM). The symmetry design principles outlined here, along with their transformation into an inverse design material search approach and DFT verification, could open the way to their experimental examination.
Entropy Splitting and Numerical Dissipation
A rigorous stability estimate for arbitrary order of accuracy of spatial central difference schemes for initial-boundary value problems of nonlinear symmetrizable systems of hyperbolic conservation laws was established recently by Olsson and Oliger (1994) and Olsson (1995) and was applied to the two-dimensional compressible Euler equations for a perfect gas by Gerritsen and Olsson (1996) and Gerritsen (1996). The basic building block in developing the stability estimate is a generalized energy approach based on a special splitting of the flux derivative via a convex entropy function and certain homogeneous properties. Due to some of the unique properties of the compressible Euler equations for a perfect gas, the splitting resulted in the sum of a conservative portion and a non-conservative portion of the flux derivative. hereafter referred to as the "Entropy Splitting." There are several potential desirable attributes and side benefits of the entropy splitting for the compressible Euler equations that were not fully explored in Gerritsen and Olsson. The paper has several objectives. The first is to investigate the choice of the arbitrary parameter that determines the amount of splitting and its dependence on the type of physics of current interest to computational fluid dynamics. The second is to investigate in what manner the splitting affects the nonlinear stability of the central schemes for long time integrations of unsteady flows such as in nonlinear aeroacoustics and turbulence dynamics. If numerical dissipation indeed is needed to stabilize the central scheme, can the splitting help minimize the numerical dissipation compared to its un-split cousin? Extensive numerical study on the vortex preservation capability of the splitting in conjunction with central schemes for long time integrations will be presented. The third is to study the effect of the non-conservative proportion of splitting in obtaining the correct shock location for high speed complex shock-turbulence interactions. The fourth is to determine if this method can be extended to other physical equations of state and other evolutionary equation sets. If numerical dissipation is needed, the Yee, Sandham, and Djomehri (1999) numerical dissipation is employed. The Yee et al. schemes fit in the Olsson and Oliger framework.
Entropy Stable Method for the Euler Equations Revisited: Central Differencing via Entropy Splitting and SBP
The two decades old high order central differencing via entropy splitting and summation-by-parts (SBP) difference boundary closure of Ols- son & Oliger (1994), Gerritsen & Olsson (1996), and Yee et al. (2000) is revisited. The entropy splitting is a form of skew-symmetric splitting of the nonlinear Euler flux derivatives. Central differencing applied to the entropy splitting form of the Euler flux derivatives together with SBP difference operators will, hereafter, be referred to as entropy split schemes. This study is prompted by the recent growing interest in numerical methods for which a discrete entropy conservation law holds, a discrete global entropy conservation can be proved and/or the numerical method possesses a stable entropy in the framework of SBP difference operators and L2-energy norm estimate. The objective of this paper is to recast the entropy split scheme as the re- cent definition of an entropy stable method for central differencing with SBP operators for both periodic and non-periodic boundary conditions for non- linear Euler equations. Standard high order spatial central differencing as well as high order central spatial DRP (dispersion relation preserving) spatial differencing is part of the entropy stable methodology framework. Long time integration of 2D and 3D test cases is included to show the comparison of this efficient entropy stable method with the Tadmor-type of entropy conservative methods. Studies also include the comparison among the three skew-symmetric splittings on their nonlinear stability and accuracy performance without added numerical dissipations for smooth flows. These are, namely, entropy splitting, Ducros et al. splitting and the Kennedy & Grub- ber splitting.
Observations of Mantle Seismic Anisotropy Using Array Techniques: Shear-Wave Splitting of Beamformed SmKS Phases
Shear-wave splitting measurements are commonly used to resolve seismic anisotropy in both the upper and lowermost mantle. Typically, such techniques are applied to SmKS phases that have reflected (m-1) times off the underside of the core-mantle boundary before being recorded. Practical constraints for shear-wave splitting studies include the limited number of suitable phases as well as the large fraction of available data discarded because of poor signal-to-noise ratios (SNRs) or large measurement uncertainties. Array techniques such as beamforming are commonly used in observational seismology to enhance SNRs, but have not been applied before to improve SmKS signal strength and coherency for shear wave splitting studies. Here, we investigate how a beamforming methodology, based on slowness and backazimuth vespagrams to determine the most coherent incoming wave direction, can improve shear-wave splitting measurement confidence intervals. Through the analysis of real and synthetic seismograms, we show that (a) the splitting measurements obtained from the beamformed seismograms (beams) reflect an average of the single-station splitting parameters that contribute to the beam; (b) the beams have (on average) more than twice as large SNRs than the single-station seismograms that contribute to the beam; (c) the increased SNRs allow the reliable measurement of shear wave splitting parameters from beams down to average single-station SNRs of 1.3. Beamforming may thus be helpful to more reliably measure splitting due to upper mantle anisotropy. Moreover, here we show that beamforming holds potential to greatly improve detection of lowermost mantle anisotropy by demonstrating differential SKS–SKKS splitting analysis using beamformed USArray data.
Longitudinal splitting in unidirectional composites, analysis and experiments
An experimental study is conducted to determine the fracture behavior of center notched, unidirectional graphite/epoxy laminates when subjected to tensile loading. The actual behavior is compared to the behavior predicted by a mathematical model based on classical shear-lag assumptions. The model allows for damage to occur in the form of longitudinal matrix yielding and splitting with the matrix assumed to fail in pure shear. Results indicate that the model is capable of predicting split initiation stress levels accurately, but does not describe the subsequent split growth adequately. The model predicts rapid split growth following split initiation due to shear failure, while the actual behavior involves a slow split growth region prior to the rapid growth region. It is suggested that transverse matrix normal stresses are responsible for split initiation and the early, slow split growth. The model predicts the actual initiation stress levels reliably, and also appears to be able to predict the point at which the shear failure mode begins to dominate. The shear failure mode does eventually dominate, but at a slower rate than predicted. The nonuniform structure of the graphite/epoxy laminates is thought to be responsible for decreasing the split growth rate due to shear failure.
Experimental evaluation of longitudinal splitting in unidirectional composites
An experimental study was conducted to determine the fracture behavior of centernotched, unidirectional graphite/epoxy laminates when subjected to tensile loading. The actual behavior is compared to the behavior predicted by a mathematical model based on classical shear-lag assumptions. Experimental results show the fracture behavior to consist of two modes of longitudinal matrix splitting. After split initiation, a region of slow, stable split growth occurs. This is followed by a distinct transition into a rapid split growth region. However, the shear-lag model predicts a single region of rapid longitudinal split growth behavior with unbounded splitting occurring after approximately a ten percent increase in the applied stress over the split initiation stress. It is therefore concluded that the classical shear-lag model does not accurately predict the complete longitudinal split growth behavior in a brittle matrix composite. This shortcoming in the model and some results obtained from related elasticity solutions are discussed and it is suggested that the slow, stable split growth region is likely dominated by transverse matrix normal stresses which are not accounted for in the classical shear-lag model.
Prototypes of Nonrelativistic Spin Splitting and Polarization in Symmetry Broken Antiferromagnets
Antiferromagnets that break both space-time reversal and translation-spin-rotation symmetries were recently predicted [L.-D. Yuan, Z. Wang, J.-W. Luo, E. I. Rashba, and A. Zunger, Phys. Rev. B 102, 014422 (2020)] to possess splitting between the otherwise spin-degenerate energy bands even without the relativistic spin-orbit coupling (SOC). Here, we point out that such nonrelativistic spin splitting (NRSS)—in particular, “spin splitting type 4” (SST-4) symmetry-broken antiferromagnets—can be divided into subgroups having distinct patterns of spin splitting and spin textures, depending on additional auxiliary symmetries of spin interconversion and polarity. These SST-4 subgroups include the 𝛼-type (no spin-interconverting symmetry) having spin splitting at the Brillouin zone center, as well as the 𝛽 subgroup in which a rotation symmetry is applied and determines the alternating spin texture and the 𝛾 subgroup having exclusively reflection spin-interconverting symmetry. Unlike ferrimagnets, the 𝛼-type compounds are shown to have tiny net magnetization at finite temperature and thus avoid the adverse effect of the stray field. The 𝛼 and 𝛽 subgroups can be either polar or nonpolar, whereas the 𝛾 subgroup is polar only, providing a basis for possible switching by external fields. The combination of NRSS-enabling and auxiliary symmetries is used here as a filter for identifying previously synthesized compounds as specific prototypes. Their characteristic splitting and spin polarization are calculated by density functional theory to the benefit of potential future experimental testing. Interesting results are as follows: (i) SOC-independent NRSS can exceed the magnitude of the SOC-induced Rashba and Dresselhaus spin splitting in semiconductors. (ii) Examples of predicted 𝛼-type insulating compounds include BiCrO 3 (nonpolar) and Mn 2 ScSbO 6 (polar), the latter having spin splitting of 158 meV and 160 meV in the valence and conduction bands, respectively. (iii) The 𝛽-type (Cu 2 Y 2 O 5 and FeF 2 ) and 𝛾-type compounds (Mn 4 Nb 2 O 9 and FeScO 3 ) are distinguished both by their auxiliary symmetries and polarity. The spin textures of 𝛾-type compounds are mirror reflected with spin degeneracy of the wave vectors on that mirror. These observations will likely broaden the experimental playing field of NRSS physics significantly.
A New Approach for a Wider Class of Entropy Split Methods for Compressible Gas Dynamics and MHD
The high order entropy split methods of Sjögreen & Yee [1, 2] by entropy splitting of the compressible Euler (inviscid) flux derivatives for a thermally-perfect gas are based on Harten’s entropy function [3, 4, 5]. Their derivation takes advantage of the homogeneity property of Euler flux, symmetrizable Euler flux derivatives and energy-norm stability in conjunction with high order classical spatial central, DRP (dispersion relation-preserving) [6, 7, 8] or Padé (compact) spatial discretizations [9] with summation-by-parts (SBP) operators [10]. Our entropy split methods have been proven entropy conserving and stable [1, 11, 12]. Our proofs do not rely on a two-point numerical flux, but rather only a linear difference operator is required to derive these methods. To extend the entropy split method for the MHD, we used the Godunov symmetrizable non-conservative MHD form [12, 13, 14]. These high order entropy split methods not only preserve certain physical properties of the chosen governing equations but are also known to either improve numerical stability, and/or minimize aliasing errors in long time integration of turbulent flow computations without the aid of added numerical dissipation. In our previous published work, extensive error norm comparison with grid refinement was performed to show the high accuracy performance of these methods. These studies also showed how well the entropy split methods conserve the entropy, momentum and mass, and preserve the kinetic energy for long time integration of the various flows [1, 2, 12, 13, 14]. The objective of the present work is to use a new approach to obtain a wider class of entropy split methods consisting of a two-point numerical flux portion and a non-conservative portion in such a way that the homogeneity property of the compressible Euler flux is not required. For high order classical spatial central, DRP (dispersion relation-preserving) or Padé (compact) spatial discretizations, this new approach can be proven to be entropy conservative with conservative spatial dsicretizations while at the same time allowing a wider class of symmetrizable inviscid flux derivatives. We also use this generalization to derive an entropy split scheme that is entropy conserving for the equations of MHD without the homogeneity property using the Godunov symmetrizable ideal MHD formulation [15].
Engineering an efficient and bright split Corynactis californica green fluorescent protein
Split green fluorescent protein (GFP) has been used in a panoply of cellular biology applications to study protein translocation, monitor protein solubility and aggregation, detect protein–protein interactions, enhance protein crystallization, and even map neuron contacts. Recent work shows the utility of split fluorescent proteins for large scale labeling of proteins in cells using CRISPR, but sets of efficient split fluorescent proteins that do not cross-react are needed for multiplexing experiments. We present a new monomeric split green fluorescent protein (ccGFP) engineered from a tetrameric GFP found in Corynactis californica, a bright red colonial anthozoan similar to sea anemones and scleractinian stony corals. Split ccGFP from C. californica complements up to threefold faster compared to the original Aequorea victoria split GFP and enable multiplexed labeling with existing A. victoria split YFP and CFP.
Novel Chalcopyrites for Advanced Photoelectrochemical Water Splitting
With the support of DoE’s EERE office, our team has established a unique tool-chest of capabilities, including theoretical modeling (Lawrence Livermore National Laboratory: LLNL), state-of-the-art synthesis (Hawaii Natural Energy Institute: HNEI, Stanford, and the National Renewable Energy Laboratory: NREL) and advanced materials and interfaces characterization (University of Nevada, Las Vegas: UNLV, and Lawrence Berkeley National Laboratory: LBNL), to accelerate the development of high efficiency and durable chalcopyrite materials for advanced photoelectrochemical (PEC) water splitting. Using this synergistic approach, we have successfully created new wide bandgap chalcopyrite photocathodes generating over 10 mA/cm 2 , developed innovative strategies to protect them from corrosion, and engineered novel integration methods to circumvent thin film materials mechanical, chemical and thermal incompatibility. In Task 1 “Modeling and synthesis of chalcopyrite photocathodes”, we expanded our library of wide bandgap chalcopyrites for PEC water splitting. With support from LLNL’s “Computational Materials Diagnostics and Optimization of PEC Devices”, LBNL’s “photophysical” and NREL’s “I-III-VI Compound Semiconductors for Water-Splitting” nodes, we investigated two new chalcopyrite candidates for PEC water splitting: Cu(In,Al)Se 2 and Cu(In,B)Se 2 . We also further developed ordered vacancy compounds, such as CuGa 3 Se 5 , with unprecedented durability during PEC waters splitting in acidic solutions. In Task 2 “Interfaces engineering for enhanced efficiency and durability”, we addressed both the non-ideal band-edge positions of chalcopyrites with respect to water redox potentials, as well as their chemical instability under PEC water splitting, with a buried-junctions approach. With help from NREL’s “High-Throughput Experimental Thin Film Combinatorial Capabilities” and “Corrosion Analysis of Materials” nodes, we engineered environmentally friendly n-type buffers, including Mn x Zn 1-x O, to adjust the chalcopyrite band-edge positions and achieved photovoltages as high as 925 mV. Also, we integrated non-precious catalytic-protecting layers, such as WO 3 , to enhance the water splitting long-term stability of chalcopyrite absorbers. Finally, in Task 3 “Hybrid photoelectrode device integration”, we proposed an innovative method to bond wide bandgap photocathodes onto narrow bandgap PV drivers at room temperature using conductive polymers. Our semi-monolithic approach addressed fundamental processing incompatibility issues, as both the photocathode and the PV driver are processed separately. Proof-of-concept whole-chalcopyrite tandems were obtained by consecutive exfoliation and transfer of fully integrated 1.85 eV CuGa 3 Se 5 and 1.13 eV CuInGaSe 2 stacks from their Mo/SLG substrates onto a new single FTO host substrate.
Initial high-degree p-mode frequency splittings from the 1988 Mt. Wilson 60-foot Tower Solar Oscillation Program
The initial frequency splitting results of solar p-mode oscillations obtained from the 1988 helioseismology program at the Mt. Wilson Observatory are presented. The frequency splittings correspond to the rotational splittings of sectoral harmonics which range in degree between 10 and 598. They were obtained from a cross-correlation analysis of the prograde and retrograde portions of a two-dimensional (t - v) power spectrum. This power spectrum was computed from an eight-hour sequence of full-disk Dopplergrams obtained on July 2, 1988, at the 60-foot tower telescope with a Na magneto-optical filter and a 1024x1024 pixel CCD camera. These frequency splittings have an inherently larger scatter than did the splittings obtained from earlier 16-day power spectra. These splittings are consistent with an internal solar rotational velocity which is independent of radius along the equatorial plane. The normalized frequency splittings averaged 449 + or - 3 nHz, a value which is very close to the observed equatorial rotation rate of the photospheric gas of 451.7 nHz.
Magnetic photon splitting and gamma ray burst spectra
The splitting of photons into two photons becomes both possible and significant in magnetic fields in excess of 10(exp 12) Gauss. Below the threshold energy, 2m sub e c(exp 2) for single photon pair production, splitting can be an astronomically observable phenomenon evident in gamma ray burst spectra. In such circumstances, it was found that magnetic photon splitting reprocesses the gamma ray burst continuum by degrading the photon energy, with a net effect that is quite similar to pair cascade reprocessing of the spectrum. Results are presented for the spectral modifications due to splitting, taking into account the different probabilities for splitting for different polarization modes. Unpolarized and polarized pair cascade photon spectra form the input spectra for the model, which calculates the resulting splitting reprocessed spectra numerically by solving the photon kinetic equations for each polarization mode. This inclusion of photon polarizations is found to not alter previous predictions that splitting produce a significant flattening of the hard X ray continuum and a bump at MeV energies below a pair production turnover. The spectrum near the bump is always strongly polarized.