Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “K”

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.

At least 397 records · Page 22

The excitation of the iron K-alpha feature in solar flares

The relationship between the hard X-ray photon spectrum and the flux of iron K-alpha emission in a thick-target electron bombardment model is evaluated. Results are presented for various power-law hard X-ray spectra. These results are applied to two events observed with the Hard X-Ray Burst Spectrometer and the K-alpha channel of the X-Ray Polychromator Bent Crystal Spectrometer on the Solar Maximum Mission satellite. For one of the events, on March 29, 1980, at 09:18 UT, the K-alpha flux predicted for a thick-target nonthermal process is significant compared to the background fluorescent component, and the data are indeed consistent with an enhancement of the predicted amount. For the other event, on October 14, 1980 at 0.6:09 UT, the hard X-ray spectrum is so steep that no significant K-alpha flux is predicted for this process, and no enhancement is seen. It is concluded that the agreement between the predicted K-alpha flux and the observed magnitude of the K-alpha enhancement above the fluorescent background at the time of the large hard X-ray bursts lends support to a thick-target nonthermal interpretation of impulsive hard X-ray emission in solar flares.

Emslie, A. G.↗

The Effect of Changes in the ASCA Calibration on the Fe-K Lines in Active Galaxies

The ASCA calibration has evolved considerably since launch and indeed, is still evolving. There have been concerns in the literature that changes in the ASCA calibration have resulted in the Fe-K lines in active galaxies (AGN) now being systematically narrower than was originally thought. If this were true, a large body of ASCA results would be impacted. In particular, it has been claimed that the broad red wing (when present) of the Fe-K line has been considerably weakened by changes in the ASCA calibration. We demonstrate explicitly that changes in the, ASCA calibration over a period of about eight years have a negligible effect on the width, strength, or shape of the Fe-K lines. The reduction in both width and equivalent width is only approximately 8% or less. We confirm this with simulations and individual sources, as well as sample average profiles. The average profile for type 1 AGN is still very broad, with the red wing extending down to approximately 4 keV. The reason for the claimed, apparently large, discrepancies is that in some sources the Fe-K line is complex, and a single-Gaussian model, being an inadequate description of the line profile, picks up different portions of the profile with different calibration. However, one cannot make inferences about calibration or astrophysics of the sources using models which do not describe the data. Better modeling of the Fe-K in such cases gives completely consistent results with both old and current calibration. Thus, inadequate modeling of the Fe-K line in these sources can seriously underestimate the line width and equivalent width, and therefore lead to incorrect deductions about the astrophysical implications.

Yaqoob, T.↗

K-Ca Dating of Alkali-Rich Fragments in the Y-74442 and Bhola LL-Chondritic Breccias

Alkali-rich igneous fragments in the brecciated LL-chondrites, Krahenberg (LL5) [1], Bhola (LL3-6) [2], Siena (LL5) [3] and Yamato (Y)-74442 (LL4) [4-6], show characteristic fractionation patterns of alkali and alkaline elements [7]. The alkali-rich fragments in Krahenberg, Bhola and Y-74442 are very similar in mineralogy and petrography, suggesting that they could have come from related precursor materials [6]. Recently we reported Rb-Sr isotopic systematics of alkali-rich igneous rock fragments in Y-74442: nine fragments from Y-74442 yield the Rb-Sr age of 4429 plus or minus 54 Ma (2 sigma) for lambda(Rb-87) = 0.01402 Ga(exp -1) [8] with the initial ratio of Sr-87/Sr-86 = 0.7144 plus or minus 0.0094 (2 sigma) [9]. The Rb-Sr age of the alkali-rich fragments of Y-74442 is younger than the primary Rb-Sr age of 4541 plus or minus 14 Ma for LL-chondrite whole-rock samples [10], implying that they formed after accumulation of LL-chondrite parental bodies, although enrichment may have happened earlier. Marshall and DePaolo [11,12] demonstrated that the K-40 - Ca-40 decay system could be an important chronometer as well as a useful radiogenic tracer for studies of terrestrial rocks. Shih et al. [13,14] and more recently Simon et al. [15] determined K-Ca ages of lunar granitic rocks, and showed the application of the K-Ca chronometer for K-rich planetary materials. Since alkali-rich fragments in the LL-chondritic breccias are highly enriched in K, we can expect enhancements of radiogenic Ca-40. Here, we report preliminary results of K-Ca isotopic systematics of alkali-rich fragments in the LL-chondritic breccias, Y-74442 and Bhola.

Yokoyama, T↗

The Interaction of K and O 2 on Au(111): Multiple Growth Modes of Potassium Oxide and Their Catalytic Activity for CO Oxidation

Abstract In industrial catalysis, alkali cations are frequently used to promote activity or selectivity. Scanning tunneling microscopy, ambient‐pressure X‐ray photoelectron spectroscopy, and density‐functional calculations were used to study the structure and reactivity of potassium oxides in contact with the Au(111) surface. Three different types of oxides (K 2 O 2 , K 2 O and KO y with y <0.5) were observed on top of the gold substrate at 300–525 K. Initially, small aggregates of K 2 O 2 /K 2 O (1–2 nm in size) were seen at the elbows of the herringbone structure. After increasing the K coverage (>0.15 ML), large islands of the oxide (20–40 nm in size) appeared. These islands contained a mixture of K 2 O and KO y ( y <0.5). A key correlation was found involving the structure, oxidation state, and chemical activity of the alkali oxide. The small aggregates of potassium oxide had a very high catalytic activity for the oxidation of CO, being much more than plain promoters.

Shi, Rui↗

The Interaction of K and O 2 on Au(111): Multiple Growth Modes of Potassium Oxide and Their Catalytic Activity for CO Oxidation

Abstract In industrial catalysis, alkali cations are frequently used to promote activity or selectivity. Scanning tunneling microscopy, ambient‐pressure X‐ray photoelectron spectroscopy, and density‐functional calculations were used to study the structure and reactivity of potassium oxides in contact with the Au(111) surface. Three different types of oxides (K 2 O 2 , K 2 O and KO y with y <0.5) were observed on top of the gold substrate at 300–525 K. Initially, small aggregates of K 2 O 2 /K 2 O (1–2 nm in size) were seen at the elbows of the herringbone structure. After increasing the K coverage (>0.15 ML), large islands of the oxide (20–40 nm in size) appeared. These islands contained a mixture of K 2 O and KO y ( y <0.5). A key correlation was found involving the structure, oxidation state, and chemical activity of the alkali oxide. The small aggregates of potassium oxide had a very high catalytic activity for the oxidation of CO, being much more than plain promoters.

Shi, Rui↗

Implementing the three-particle quantization condition for π + π + K + and related systems

Recently, the formalism needed to relate the finite-volume spectrum of systems of nondegenerate spinless particles has been derived. In this work we discuss a range of issues that arise when implementing this formalism in practice, provide further theoretical results that can be used to check the implementation, and make available codes for implementing the three-particle quantization condition. Specifically, we discuss the need to modify the upper limit of the cutoff function due to the fact that the left-hand cut in the scattering amplitudes for two nondegenerate particles moves closer to threshold; we describe the decomposition of the three-particle amplitude K df,3 into the matrix basis used in the quantization condition, including both s and p waves, with the latter arising in the amplitude for two nondegenerate particles; we derive the threshold expansion for the lightest three-particle state in the rest frame up to O(1/L 5 ); and we calculate the leading-order predictions in chiral perturbation theory for K df,3 in the π + π + K + and π + K + K + systems. We focus mainly on systems with two identical particles plus a third that is different (“2+1” systems). We describe the formalism in full detail, and present numerical explorations in toy models, in particular checking that the results agree with the threshold expansion, and making a prediction for the spectrum of π + π + K + levels using the two- and three-particle interactions predicted by chiral perturbation theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Yb:Lu 2 O 3 hydrothermally grown single-crystal high-resolution absorption spectra obtained between 8 and 300 K

Here we present new high-resolution absorption data for the important sesquioxide laser material Yb:Lu 2 O 3 for the spectral range of 880–1020 nm, at various temperatures between 8 and 300 K, and for the zero-phonon region from 960 to 990 nm, at temperatures from 8 to 300 K. We have experimentally observed the C 3i (0,1)–(1,3) transition for the first time, located at 880.7 nm at 8 K. Based on high confidence fitting functions to the experimental data, we provide the first complete compilation of all observed electronic and electronic–vibrational transitions. Detailed fitting and plots of the C 2 and C 3i zero-line data show an evolution of the linewidth from being predominantly electronic below about 100 K to being dominated by thermal processes above 100 K. We have also found evidence for a “soft” phase transition between 80 and 100 K that changes the local coordination environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evolution from topological Dirac metal to flat-band-induced antiferromagnet in layered K x Ni 4 S 2 (0 ≤ x ≤ 1)

Condensed matter systems with coexisting Dirac cones and flat bands and a switchable control between them within a single system are desirable but remarkably uncommon. Here, we report a layered quantum material system, K x Ni 4 S 2 (0 <= x <= 1), that simultaneously hosts both characteristics without involving typical Kagome/honeycomb lattices. Enabled by a topochemical K-deintercalation process, the Fermi surface can be fine-tuned continuously over a wide range of energies. Consequently, a non-magnetic Dirac-metal state with a topological nontrivial Z 2 index of 1;(000), supported by first-principles calculations and high mobility up to 1,471 cm 2 V -1 s -1 , is observed on the K-rich x = 1 side, whereas a flat-band-induced antiferromagnetic state with T N up to 10.1 K emerges as the K-content approaches 0. The K x Ni 4 S 2 system offers a versatile platform for exploring emerging phenomena and underscores aviable pathway for in situ control of quantum materials dominated by Dirac cones, flat bands, and their interplay.

dirac metal↗

Origin and Suppression of Beam Damage-Induced Oxygen-K Edge Artifact from γ-Al 2 O 3 using Cryo-EELS

Gamma-alumina (γ-Al 2 O 3 ), like other low-Z oxides, is readily damaged when exposed to an electron beam. This typically results in the formation of a characteristic pre-edge peak in the oxygen-K edge of electron energy-loss spectra (EELS) acquired during or after the damage process. This artifact can mask the presence of intrinsic O-K edge fine structure that would reveal chemical properties of the material; therefore, its suppression is key. In this work, we systematically investigate the conditions that give rise to the damage-induced O-K pre-edge peak and show that it can be effectively suppressed by performing EELS experiments at cryogenic (cryo) temperatures. Prolonged exposure of γ-Al 2 O 3 to a focused electron beam results in a hole bored through the sample; this was used as a reproducible beam damage condition. O-K edge EELS spectra were collected from a single-crystal γ-Al 2 O 3 sample both during and after focused 2 electron beam hole drilling, and at room and cryo temperatures, using a monochromated scanning transmission electron microscope (STEM). Furthermore, the characteristic 531 eV pre-edge peak visible in the room temperature EELS spectra was completely suppressed in the cryo-EELS spectra, even in the presence of a visible drilled hole. We then correlated these experimental observations with multiple-scattering EELS simulations to determine the likely atomistic origin of the damage-induced O-K pre-edge peak. The findings indicate that the pre-edge peak is caused primarily by the presence of surface O dimer (O-O) bonds formed during beam damage, and that operating at cryo temperature suppresses the formation of surface O-O bonds, thus preventing formation of the O-K pre-edge peak. Additionally, Al-L 2,3 edge EELS spectra revealed Al loss primarily from tetrahedral sites during hole drilling.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

K 2 CuX 3 (X = Cl, Br): All-Inorganic Lead-Free Blue Emitters with Near-Unity Photoluminescence Quantum Yield

Recently, copper(I) halides have been gaining increased attention as highly luminescent nontoxic alternatives to lead halide perovskites for optoelectronic applications. In this paper, we report preparation of blue emitting, lead free, all-inorganic halides K 2 CuX 3 (X = Cl, Br) through five synthetic methods including traditional solid-state and solution methods. The photoluminescence (PL) emission spectra of K 2 CuCl 3 and K 2 CuBr 3 exhibit narrow peaks centered at 392 and 388 nm with full widths at half-maximum (fwhm) values of ~54 nm. The visible bright blue emission is corroborated by the remarkably high photoluminescence quantum yield (PLQY) values up to ~97%. Furthermore, radioluminescence measurements on K 2 CuCl 3 yield a bright peak at 404 nm under irradiation with X-rays at 200 kVp and 20 mA, which is optimal for use with PMTs and Si photomultipliers, suggesting a strong potential of this family for radiation detection applications. Based on our combined experimental and computational investigations, the origin of the efficient luminescence in K 2 CuX 3 is attributed to the high stability self-trapped excitons (STE) formed in the one-dimensional anionic ∞ 1 [CuX 3 ] 2– chains. Advantageously, K 2 CuX 3 demonstrate improved air- and photostability compared to the previously reported copper(I) halides. The discovery of highly efficient and high stability light emitters based on earth-abundant copper(I) halides paves the way for their potential practical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structure of an open K ATP channel reveals tandem PIP 2 binding sites mediating the Kir6.2 and SUR1 regulatory interface

ATP-sensitive potassium (K ATP ) channels, composed of four pore-lining Kir6.2 subunits and four regulatory sulfonylurea receptor 1 (SUR1) subunits, control insulin secretion in pancreatic β-cells. K ATP channel opening is stimulated by PIP 2 and inhibited by ATP. Mutations that increase channel opening by PIP 2 reduce ATP inhibition and cause neonatal diabetes. Although considerable evidence has implicated a role for PIP 2 in K ATP channel function, previously solved open-channel structures have lacked bound PIP 2 , and mechanisms by which PIP 2 regulates K ATP channels remain unresolved. Here, we report the cryoEM structure of a K ATP channel harboring the neonatal diabetes mutation Kir6.2-Q52R, in the open conformation, bound to amphipathic molecules consistent with natural C18:0/C20:4 long-chain PI(4,5)P 2 at two adjacent binding sites between SUR1 and Kir6.2. The canonical PIP 2 binding site is conserved among PIP 2 -gated Kir channels. The non-canonical PIP 2 binding site forms at the interface of Kir6.2 and SUR1. Functional studies demonstrate both binding sites determine channel activity. Kir6.2 pore opening is associated with a twist of the Kir6.2 cytoplasmic domain and a rotation of the N-terminal transmembrane domain of SUR1, which widens the inhibitory ATP binding pocket to disfavor ATP binding. The open conformation is particularly stabilized by the Kir6.2-Q52R residue through cation-π bonding with SUR1-W51. Together, these results uncover the cooperation between SUR1 and Kir6.2 in PIP 2 binding and gating, explain the antagonistic regulation of K ATP channels by PIP 2 and ATP, and provide a putative mechanism by which Kir6.2-Q52R stabilizes an open channel to cause neonatal diabetes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The importance of sulfonate to the self-doping mechanism of the water-soluble conjugated polyelectrolyte PCPDTBT-SO 3 K

The conjugated polyelectrolyte poly[2,6-(4,4-bis-potassium butanylsulfonate-4H-cyclopenta-[2,1-b;3,4-b']-dithiophene)-alt-4,7-(2,1,3-benzothiadiazole)] (PCPDTBTSO 3 K, or CPE-K) is part of a unique class of organic semiconducting polymers that are soluble in water and become doped in the presence of a proton source. One of these proton sources is water, which CPE-K is exposed to during purification by dialysis, allowing for its immediate use without an additional doping step. Previous studies have suggested that the actual dopant is H + , and that the addition of sodium hydroxide to CPE-K reverses the process and de-dopes the polymer. Curiously, the majority of these water-soluble self-doped polymers in the literature contain a pendant sulfonate group. However, a detailed study to gain insight into the importance of the sulfonate group in water-soluble self-doped polymer systems is lacking, despite its widespread presence in the literature. In this work, using Fourier-transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), and ultraviolet-visible-near infrared (UV-vis-NIR) absorption spectroscopy, we are able to elucidate the role of the pendant sulfonate group with regards to the fundamental doping mechanism of CPE-K. Specifically, we found the CPDT unit can be protonated by water, which is due to both the stabilizing influence of the sulfonate group, and the relatively high oxidation potential of the CPDT unit, both of which are required for self-doped water soluble polymer systems. Furthermore, we estimate the doping efficiency of CPE-K using electrical measurements and X-ray reflectivity (XRR), and reveal several different methods for the doping and de-doping of this material, showcasing this particular material's superior versatility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Validation of gyrokinetic simulations in NSTX and projections for high-k turbulence measurements in NSTX-U

An extensive validation effort performed for a modest-beta NSTX NBI-heated H-mode discharge predicts that electron thermal transport can be entirely explained by electron-scale turbulence fluctuations driven by the electron temperature gradient mode (ETG), both in conditions of strong and weak ETG turbulence drive. Thermal power-balance estimates computed by TRANSP as well as the shape of the high-k density fluctuation wavenumber spectrum and the fluctuation level ratio between strongly driven and weakly driven ETG-turbulence conditions can be matched by nonlinear gyrokinetic simulations and a synthetic diagnostic for high-k scattering. Linear gyrokinetic simulations suggest that the ion-scale instability in the weak ETG condition is close to the critical threshold for the kinetic ballooning mode instability, and nonlinear ion-scale gyrokinetic simulations show that turbulence might be in a state reminiscent of a Dimits' shift regime, opening speculation on the role that ion-scale turbulence might play for the weak ETG condition. A simulation that matched all experimental constraints is chosen to project high-k turbulence spectra in NSTX-U, revealing that the new high-k system [R. Barchfeld et al., Rev. Sci. Instrum. 89, 10C114 (2018)] should be sensitive to density fluctuations from radially elongated streamer structures. In this study, two schemes are designed to characterize the radial and poloidal wavenumber dependence of the density fluctuation wavenumber power spectrum around the streamer peak, suggesting future high-k fluctuation measurements could be sensitive to an asymmetry in the k r spectrum introduced due to the presence of strong background flow shear.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

In-field critical current and pinning mechanisms at 4.2 K of Zr-added REBCO coated conductors

The critical current and pinning mechanisms at 4.2 K have been studied over a magnetic field range of 0–14 T for Zr-added (0, 5 and 15 mol.%) REBa 2 Cu 3 O 7-x (REBCO and RE = rare earth) coated conductors fabricated by advanced metal organic chemical vapor deposition (A-MOCVD). It is found that the (Ba + Zr)/Cu content in Zr-added (5 and 15 mol.%) REBCO affects the critical current at 77 K, 0 T as well as density, continuity and shape of BaZrO 3 (BZO) self-assembled nanocolumns and RE 2 O 3 in-plane precipitates that significantly enhance the pinning force density Fp(H) as well as isotropic pinning landscape at 4.2 K. In addition to bell-shape dependence of critical current density, J c , at 4.2 K with (Ba + Zr)/Cu content we observed an unusual Fp(H) behavior correlated to particular type of pinning centers, morphology and distribution that have been revealed by TEM microstructure analysis. By fitting the Dew–Hughes equation of the pinning force density Fp(H) at 4.2 K we extract the scaling behaviors of the Fp(H) associated with the competition of pinning mechanisms driven by vertically-aligned BZO nanorods and in-plane RE 2 O 3 pinning defects. This result sheds light on approaches towards interactive control of strong and isotropic pinning centers in Zr-added REBa 2 Cu 3 O 7-x (REBCO and RE = rare earth) coated conductors, and especially understanding the correlation between microstructural characteristics and vortex pinning mechanisms at 4.2 K in high magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

EXAFS investigation of the local structure in URu 2-x Fe x Si 2 : Evidence for distortions below 100 K

X-ray absorption measurements at the U L III , Ru K , and Fe K edges are reported for the hidden order (HO) material URu 2 - x Fe x Si 2 ( x = 0 , 0.05, 0.08, 0.10, 0.12, 0.15, and 0.20) as a function of x and temperature T . Furthermore, when Fe is substituted for Ru, the local structure about Fe shrinks slightly and the first neighbor Fe-Si bond length decreases by ≈ 0.05 Å . More importantly excess disorder is observed below 80–100 K (the coherence temperature T * ) in plots of the Debye-Waller factor σ 2 ( σ is the width of the pair distribution function); at low T the data deviate from the usual Einstein or correlated-Debye model plots. This excess disorder is most prominent for the Ru-Si bond, and σ 2 actually increases below 80 K. These results suggest a local orthorhombic distortion with B 1 g -like symmetry that develops below 80–100 K. A model that describes these local distortions is presented, and discussed in terms of other measurements that indicate a breaking of fourfold symmetry at low T . In addition, the square root of the difference between σ 2 ( T ) for the Ru-Si pair and a Debye fit to these data serves as an order parameter for this orthorhombic distortion, in the temperature range below 100 K. This quantity is a length related to a - b , the difference between the a and b lattice constants in the orthorhombic phase, and provides a connection between this distortion and T * . X-ray absorption near edge structure (XANES) measurements also show that there are no changes in the edge positions down to 0.1 eV for any edge as a function of x , for T in the HO regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Long-range three-dimensional magnetic structures of the spin S =1 hexamer cluster fedotovite-like A 2 Cu 3 O ( SO 4 ) 3 ( A 2 = K 2 , NaK, Na 2 ): A neutron diffraction study

The crystal and magnetic structures of the spin S = 1 hexamer cluster fedotovite-like A 2 Cu 3 O(SO 4 ) 3 (A 2 = K 2 , NaK, Na 2 ) were studied by neutron powder diffraction at temperatures 1.6–290 K. The crystal structures in all compounds are well refined in the monoclinic space group C2/c. The basic magnetic units of the compounds are copper hexamers, which are coupled by weak superexchange interactions giving rise to three-dimensional long-range magnetic order below 3.0 < T N < 4.7 K. We have found that for A 2 = K 2 and NaK the propagation vector of the magnetic structure is k = [0,0,0], and the coupling of the Cu hexamers is ferromagnetic (FM) along the ab diagonal and antiferromagnetic along the bc diagonal. In contrast, for A = Na the propagation vector is k = [0,1,0], and the Cu hexamers are coupled antiferromagnetically (AFM) along the ab diagonal. Further, the hexamers are formed by three Cu pairs arranged along the b axis. The calculated spin expectation values $\langle s \rangle$ for the simplest symmetric spin Hamiltonian (obtained from inelastic neutron spectroscopy) of the isolated hexamers in the mean field amounted to $\langle s \rangle$ = 3/8 for the side spins Cu1 and Cu2 and $\langle s \rangle$ = 1/4 for Cu3 in the middle. The Cu spins are FM coupled in pairs and AFM between neighboring pairs. The experimental magnetic moments of the Cu 2+ ions turn out to be not completely collinear due to spin frustrations within the weak interhexamer interactions. The sizes of magnetic moments of Cu in the hexamers determined from the diffraction data are in fair agreement with the calculated values.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Large Scale Bilevel Optimization for N-K SCOPF Using Adversarial Robustness

Ensuring a secure dispatch against multiple simultaneous outages has long been desired to maintain grid security in the presence of severe events, such as extreme weather phenomena. Traditionally denoted as N-k security constrained optimal power flow (N-k SCOPF), this problem is intractable to solve due to its size being combinatorial in the number of simultaneous outages and due to the non-convex nature of the AC network constraints. This hinders the use of N-k SCOPF for operating realistic-scale systems. In this paper, we introduce a methodology to scalably solve an AC-feasible dispatch that improves security over k simultaneous outages. Our methodology poses N-k SCOPF as a bilevel optimization problem and solves it using an adversarial robustness approach. We develop new efficient methods to solve each level of the bilevel optimization by employing knowledge of the physics of the underlying system. This yields significant improvements in speed and convergence that enable us to address the N-k SCOPF problem at scale. We demonstrate the effectiveness of our method by conducting a comprehensive analysis of an N-3 SCOPF for a 500-bus network. Furthermore, we emphasize the ability of our physics-driven techniques to handle larger systems by successfully scaling up to 12,000 buses.

24 POWER TRANSMISSION AND DISTRIBUTION↗

ScaWL: Scaling k-WL (Weisfeiler-Lehman) Algorithms in Memory and Performance on Shared and Distributed-Memory Systems

The k-dimensional Weisfeiler-Lehman (k-WL) algorithm—developed as an efficient heuristic for testing if two graphs are isomorphic—is a fundamental kernel for node embedding in the emerging field of graph neural networks. Unfortunately, the k-WL algorithm has exponential storage requirements, limiting the size of graphs that can be handled. This work presents a novel k-WL scheme with a storage requirement orders of magnitude lower while maintaining the same accuracy as the original k-WL algorithm. Due to the reduced storage requirement, our scheme allows for processing much bigger graphs than previously possible on a single compute node. For even bigger graphs, we provide the first distributed-memory implementation. Our k-WL scheme also has significantly reduced communication volume and offers high scalability. Our experimental results demonstrate that our approach is significantly faster and has superior scalability compared to five other implementations employing state-of-the-art techniques.

algorithims↗