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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

High latitude H I shells in the Galaxy. I

A search has been made for H I shells in the 21-cm maps made by Heiles and Habing (1974) for absolute values of galactic latitude greater than 10 deg. A filter in the velocity dimension was used to enhance shell features over background gas. Positions, expansion velocities, column densities, and angular extents were measured for the 50 shells that were discovered. Incorporating distance estimates, masses and kinetic energies were estimated for the shells. A striking result was the failure of swept-up matter in a standard model for gas in the disk (density at the midplane approximately 1/cu cm; exponential scale height approximately 130 pc) to reproduce the observed shell column densities. While measured shell densities may be insufficiently corrected for background gas, the magnitude of this effect is too large to be explained by such a discrepancy alone. This may suggest that the shells seen in this survey occur in regions of relatively high density. The distribution of H I shells was compared with the distribution of other large-scale features in the Galaxy: H I shell structures are found to correlate with the positions of radio continuum loops I, II, and III, and to show little relation to the distribution of O and B stars.

Hu, E. M.↗
NASA NTRS1990

The diffuse ionized interstellar medium perpendicular to the plane of NGC 891

In an attempt to study the structure and the properties of the diffuse ionized interstellar medium perpendicular to the plane of disk galaxies researchers obtained H alpha images and spectra of NGC 891. Perhaps the most remarkable property of the H alpha emission line in NGC 891 is its extension out of the plane of the galaxy: researchers are able to measure the H alpha line out to more than 30 seconds (1.4 kpc) from the midplane. This means that the ionized hydrogen extends at least four times higher than the neutral hydrogen layer. An anomalously large scale-height for the ionized gas of approx. equals 1 kpc is also found in the Milky Way. The echelle spectra show a changing ratio of NII to H alpha. This excludes the possibility that the large scaleheight of the emission is due to scattering of disk emission by dust high above the plane. The z-extent of the H alpha emission is confirmed by the imaging result. The large z-extent of the ionized gas is confined to the inner half of the visible disk. In this inner region the H alpha distribution also shows a filamentary structure of the diffuse ionized medium. These filaments, sticking out of the plane, originate in HII regions in the plane. The H alpha image also shows a large scale asymmetry if the NE and SW parts of the disk are compared. The NE part is more prominent and extended in H alpha. The same asymmetry is also seen in the radio continuum distribution. This correlation between the diffuse ionized medium and the distribution of relativistic electrons is one example of a relation between star formation processes in the disk and the various components of the halo. Thermal filaments or spurs which are related to HII regions are also known in the Galaxy. These filamentary structures perpendicular to the galactic planes may represent the chimneys which result in the supernova dominated model of the Interstellar Medium by Norman and Ikeuchi (1989).

Dettmar, Ralf-Juergen↗
DOE OSTI2020

First-principles modeling of chemistry in mixed solvents: Where to go from here?

Mixed solvents (i.e., binary or higher order mixtures of ionic or nonionic liquids) play crucial roles in chemical syntheses, separations, and electrochemical devices because they can be tuned for specific reactions and applications. Apart from fully explicit solvation treatments that can be difficult to parameterize or computationally expensive, there is currently no well-established first-principles regimen for reliably modeling atomic-scale chemistry in mixed solvent environments. We offer our perspective on how this process could be achieved in the near future as mixed solvent systems become more explored using theoretical and computational chemistry. We first outline what makes mixed solvent systems far more complex compared to single-component solvents. An overview of current and promising techniques for modeling mixed solvent environments is provided. We focus on so-called hybrid solvation treatments such as the conductor-like screening model for real solvents and the reference interaction site model, which are far less computationally demanding than explicit simulations. We also propose that cluster-continuum approaches rooted in physically rigorous quasi-chemical theory provide a robust, yet practical, route for studying chemical processes in mixed solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

Symposium on the Orion Nebula to Honor Henry Draper, New York University, New York, NY, December 4, 5, 1981, Proceedings

The present conference on astronomical studies of the Orion Nebula covers molecular clouds in Orion, the use of the nebula's cloak as a model for gas super-shells around OB associations, optical and UV data concerning the nebula's physical conditions, the presence of atomic carbon in Orion, large scale distribution of far-IR and sub-mm line emission, star formation studies in the IR, gas dynamics in the circumstellar nebula of the Becklin-Neugebauer source, maser sources and far-IR CO line emission in Orion-KL, and synthesis maps of mm molecular lines. Also discussed are Orion's star distributions, core region nebular condensations, energetic molecular flows in star-forming cloud cores, IR observations of HH objects, compact continuum radio sources, the SiO maser, shock waves, and the chemical evolution of OB associations.

Glassgold, A. E.↗
NASA NTRS1990

Granularity in the magnetic field structure of M83

Researchers recently reported Very Large Array (VLA) 20 cm continuum polarization observations of the bright, nearly face-on southern spiral galaxy M83 (NGC 5236) at a spatial resolution of 2 kpc (Sukumar and Allen 1989). The strongest linearly-polarized emission is found in two giant arcs, with typical lengths of about 30 kpc, which are situated roughly opposite each other in the dark outer regions of the galaxy at a radius of 12 kpc from the center. These regions of high polarized intensity (and hence highly-uniform magnetic field) do not coincide with any prominent spiral-arm tracers, in contrast to the expectations of simple models for the large-scale compression of magnetic field in density-wave shock fronts. From a comparison of the data with previous results at 6 cm, the authors concluded that the low polarization in the central regions of the galaxy is a result of disorder in the interstellar magnetic field. The most likely cause of this disorder is the greater star formation activity observed in the inner parts of the galaxy. The intrinsic direction of the magnetic field in the outer parts of the galaxy has also recently been determined on a length scale of 6.5 kpc from a comparison of the VLA 20 cm results with 6.3 cm observations obtained earlier with the Effelsberg telescope (Sukumar et al. 1989). There is very little Faraday rotation in the regions of the highly-polarized arcs of emission. The magnetic field in these polarized arcs is parallel to the general spiral arm structure seen in the usual optical tracers (dust, HII regions) in the bright inner parts of the galaxy disk. The maximum observed polarization at 2 kpc resolution is about 50 percent.

Allen, R. J.↗
NASA NTRS1990

Accretion disk emission from a BL Lacertae object

The accretion disk is an attractive model for BL Lac objects because of its preferred axis and high efficiency. While the smooth continuum spectra of BL Lacs do not show large UV bumps, in marked contrast to quasars, high quality simultaneous data do reveal deviations from smoothness. Using detailed calculations of cool accretion disk spectra, the best measured ultraviolet and soft x ray spectra of the BL Lac object PKS 2155-304 are fitted. The mass and accretion rate required are determined. A hot disk or corona could comptonize soft photons from the cool disk and produce the observed power law spectrum in the 1 to 10 keV range. The dynamic time scales in the disk regions that contribute most of the observed ultraviolet and soft x ray photons are consistent with the respective time scales for intensity variations. The mass derived from fitting the continuum spectrum is consistent with the limit derived from the fastest hard x ray variability.

Urry, C. Megan↗
NASA NTRS2018

Variability of Disk Emission in Pre-Main-Sequence and Related Stars. IV. Investigating the Structural Changes in the Inner Disk Region of MWC 480

We present five epochs of near-IR observations of the protoplanetary disk around MWC 480 (HD 31648) obtained with the SpeX spectrograph on NASA’s Infrared Telescope Facility between 2007 and 2013, inclusive. Using the measured line fluxes in the Pa β and Br γ lines, we found the mass accretion rates to be (1.26–2.30) x 10(exp −7) Solar Mass/yr and (1.4–2.01) x 10(exp −7) Solar Mass/yr, respectively, but which varied by more than 50% from epoch to epoch. The spectral energy distribution reveals a variability of about 30% between 1.5 and 10 μm during this same period of time. We investigated the variability using of the continuum emission of the disk in using the Monte- Carlo Radiative Transfer Code HOCHUNK3D. We find that varying the height of the inner rim successfully produces a change in the NIR flux but lowers the far-IR emission to levels below all measured fluxes. Because the star exhibits bipolar flows, we utilized a structure that simulates an inner disk wind to model the variability in the near-IR, without producing flux levels in the far-IR that are inconsistent with existing data. For this object, variable near-IR emission due to such an outflow is more consistent with the data than changing the scale height of the inner rim of the disk.

Fernandes, Rachel B.↗
DOE OSTI2020

Solvation at metal/water interfaces: An ab initio molecular dynamics benchmark of common computational approaches

Determining the influence of the solvent on electrochemical reaction energetics is a central challenge in our understanding of electrochemical interfaces. To date, it is unclear how well existing methods predict solvation energies at solid/liquid interfaces, since they cannot be assessed experimentally. Ab initio molecular dynamics (AIMD) simulations present a physically highly accurate, but also a very costly approach. In this work, we employ extensive AIMD simulations to benchmark solvation at charge-neutral metal/water interfaces against commonly applied continuum solvent models. We consider a variety of adsorbates including *CO, *CHO, *COH, *OCCHO, *OH, and *OOH on Cu, Au, and Pt facets solvated by water. The surfaces and adsorbates considered are relevant, among other reactions, to electrochemical CO 2 reduction and the oxygen redox reactions. We determine directional hydrogen bonds and steric water competition to be critical for a correct description of solvation at the metal/water interfaces. As a consequence, we find that the most frequently applied continuum solvation methods, which do not yet capture these properties, do not presently provide more accurate energetics over simulations in vacuum. We find most of the computed benchmark solvation energies to linearly scale with hydrogen bonding or competitive water adsorption, which strongly differ across surfaces. Furthermore, we determine solvation energies of adsorbates to be non-transferable between metal surfaces, in contrast to standard practice.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Observational Requirements for High-Fidelity Reverberation Mapping

We present a series of simulations to demonstrate that high-fidelity velocity-delay maps of the emission-line regions in active galactic nuclei can be obtained from time-resolved spectrophotometric data sets like those that will arise from the proposed Kronos satellite. While previous reverberation-mapping experiments have established the size scale R of the broad emission-line regions from the mean time delay tau = R/c between the line and continuum variations and have provided strong evidence for supermassive black holes, the detailed structure and kinematics of the broad-line region remain ambiguous and poorly constrained. Here we outline the technical improvements that will be required to successfully map broad-line regions by reverberation techniques. For typical AGN continuum light curves, characterized by power-law power spectra P (f) is proportional to f(exp -alpha) with a = -1.5 +/- 0.5, our simulations show that a small UV/optical spectrometer like Kronos will clearly distinguish between currently viable alternative kinematic models. From spectra sampled at time intervals Delta t and sustained for a total duration T(sub dur), we can reconstruct high-fidelity velocity-delay maps with velocity resolution comparable to that of the spectra, and delay resolution Delta tau approx. 2 Delta t, provided T(sub dur) exceeds the broad-line region light crossing time by at least a factor of three. Even very complicated kinematical models, such as a Keplerian flow with superimposed spiral wave pattern, are resolved in maps from our simulated Kronos datasets. Reverberation mapping with Kronos data is therefore likely deliver the first clear maps of the geometry and kinematics in the broad emission-line regions 1-100 microarcseconds from supermassive black holes.

Horne, Keith↗
NASA NTRSDate not supplied

Simulating Underexpanded Jets in Martian and Lunar Environments

As part of the Game Changing Development (GCD) Program, funded by NASA’s Space Technology Mission Directorate (STMD), the development of simulation capability for the prediction of extra-terrestrial Plume Surface Interaction (PSI) environments has been undertaken by the Fluid Dynamics Branch at NASA/MSFC. The GCD PSI Project, planned to be accomplished over a four year period, contains a Predictive Simulation Capability (PSC) Element focused on creating simulation capability for the reliable and accurate prediction of PSI in Martian (~650 Pa) and Lunar (vacuum) ambient environments. In addition to the PSC Element, the PSI Project also contains a companion Ground Testing Element for development of focused datasets for validation of predictive capability as well as a Flight-focused Instrumentation Element. This paper describes the activities and accomplishments in the past year for the Prediction of Plume Flow in low pressure environments component of the PSI Project. While the Loci/Chem Computational fluid dynamics (CFD) application has been validated and used extensively for simulating launch environments in atmospheric conditions, use of this tool for simulating supersonic plumes at Mars-like ambient pressure requires further validation. CFD simulations of underexpanded jets have been performed using Loci/Chem for Mars-like conditions to predict several metrics for steady laminar, turbulent, and impinging plumes. The CFD results are compared with an experimental data set for low Reynolds number plumes at these conditions in order to evaluate the current capability of the Loci/Chem tool for these types of environments. The CFD validation results to date show reasonable agreement with the experimental data across all of the metrics of interest for the configurations considered. The Loci/Chem-Boltzmann CFD application is a hybrid continuum/rarefied flow solver which extends modeling capabilities to very low pressure environments such as those on the Moon. The Loci/Chem-Boltzmann solver uses a gradient-based continuum breakdown criterion to restrict solution of the computationally expensive Boltzmann equation to only a subset of the domain, while using the Navier-Stokes equations elsewhere. This CFD application is under active development, and current efforts toward establishing production ready capability for evaluating Lunar plume surface interactions are well under way. Initial simulations of an Apollo LEM indicate that several regions of the flow require solving the Boltzmann equations due to extreme rarefaction. Early simulations are promising, indicating reasonable overall computational time for a full 3D human scale lander simulation.

Thomas Shurtz↗
NASA NTRS1990

Parsec-Scale Penetration of UV into Molecular Clouds: CII 158 Micron Mapping of W3, NGC 1977, and NGC 2023

The spatial distribution of the 158 microns CII fine structure line in the galactic sources W3, NGC 1977, and NGC 2023 is mapped. The emission arises from warm (100 to 300 K), dense photodissociation regions at the surface of molecular gas. In all three sources, the emission extends over parsec scales or greater. For W3 and NGC 1977, where the UV source/molecular cloud geometry presents an edge on view of the variation of CII intensity into the molecular gas, two dimensional models of the CII emission which include the effects of gas clumping and scattering by dust on the transport of UV photons are constructed. The observed CII distribution and intensity is well modeled by a clumpy or filamentary distribution to the molecular gas, with a clump/interclump gas density ratio of 100 or more, which allows deep penetration of carbon ionizing UV photons into the clouds. The penetration of UV into clumped molecular clouds may also explain the extended far IR continuum emission from these sources. The total luminosity of CII emission from a clumpy molecular cloud with adjacent or embedded octave band stars can be as much as an order of magnitude higher than the CII luminosity of a uniform cloud. In addition, the extended penetration of UV into molecular clouds will affect the abundances of atomic and molecular species and increase the fractional ionization of interclump gas and UV illuminated clump surfaces.

Howe, J. E.↗
NASA NTRS1992

Ultraviolet observations of clusters of Wolf-Rayet stars in the SBm3 galaxy NGC 4214 and Ultraviolet and optical observations of LINER's

The purpose of the grant was to obtain and analyze IUE (UV) and ground-based (optical) spectra of the central bar of NGC 4214, which contains several bright H II regions, in order to further explore the properties of the Wolf-Rayet stars in this galaxy. Several spatially distinct regions, with widely different equivalent widths of optical Wolf-Rayet lines, could be sampled by the large IUE entrance aperture. By using newly developed extraction techniques, the spectra of these H II regions could be isolated, and differences in their stellar populations would be systematically studied. Data were obtained with IUE in late February and early March, 1992. Some of the shifts were successful, but a few were not -- apparently the blind offset from the nearby star did not work equally well in all cases. Thus, the signal-to-noise ratio is somewhat lower than we had hoped. This necessitated a more careful extraction of the spectra of individual H II regions from the two-dimensional spectra. (A program that models the point spread function in the spatial direction was used to deblend the distinct H II regions.) The IUE data are currently being analyzed in conjunction with ground-based optical spectra. There appear to be obvious variations in the stellar population over angular scales of only a few arc seconds. The second part of the research performed under this grant was a continuation of a project that uses IUE (UV) and ground-based (optical) spectra to infer the physical conditions in Low-Ionization Nuclear Emission-Line Regions (LINER's). We have obtained spectra of a few key objects that cover a representative range in LINER continuum and emission-line properties. The overall goals are to (1) separate the emission into spatially distinct components, (2) establish whether the observed nuclear ultraviolet continua indicate sufficient photoionizing fluxes to account for the emission lines, (3) determine whether the nuclear emission can be explained by hot stars alone, (4) detect and measure the strengths of UV emission lines, and (5) search for systematic differences in the UV spectra of LINER's whose other properties differ in some respects.

Filippenko, Alexei V.↗
NASA NTRS1994

Dynamic processes in Be star atmospheres. 2: He I 2P-nD line formation in lambda Eridani (outburst)

The He I lambda 6678 line of early Be stars generally shows violet (V) and red (R) emission whenever hydrogen alpha emission is present, but its use as a diagnostic has been handicapped by a poor understanding of the processes that drive it into emission. In an attempt to address this problem we obtained three series of eschelle spectra of the first two members of the singlet and triplet 2P-nD series of lambda Eri (B2e) during 1992 November 3-5 at Kitt Peak. During these observations lambda 6678 showed substantial emission variability in both the wings and central profile, providing an opportunity to compare its behavior with that of the lambda 4922, lambda 5876, and lambda 4471 lines. We found that the responses of the lines were different in several respects. Whereas the emissions in the V wings of all four lines scaled together, the R wing of the lambda 4922 line invariably responded with increased absorption whenever the R wing of lambda 6678 line showed increased emission. These same trends occurred within the central photospheric profiles. The R-wing behavior shows that much, but not all of the emission in lambda 6678 is caused by matter projected against the stellar disk. The excitation temperatures of the neighboring 2(sup 1) P transitions, lambda 6678 and lambda 4922 must be greater than and less than the photospheric continuum temperature, respectively. We have investigated departures from local thermodynamic equilibrium (LTE) for the He I spectrum in a variety of ad hoc, perturbed model atmospheres. We have found only one way to cause the source function of lambda 6678 to increase so strongly, namely, by increasing the atmospheric temperature in the line formation region to 30,000 - 40,000 K. This effect was discovered by Auer and Mihalas for O3-O4 atmospheric models, but it has not been applied to active B stars. Our models suggest that lambda 6678 emission in Be stars can be used as a sensitive monitor of localized hot spots on these stars' surfaces. The energies involved in heating the active portions of the atmosphere are too high to be produced by gravitational infall. This leaves magnetically induced flares among the few known processes on the surfaces of stars capable of sustaining this energy level.

Smith, Myron A.↗
DOE OSTI2022

Mesoflow: An Open-Source Reacting Flow Solver for Catalysis at Mesoscale

We present the capabilities and software performance metrics of our open-source continuum solver for catalysis, Mesoflow, developed specifically for modeling transport and chemistry at the mesoscale. Our solver utilizes Cartesian block-structured adaptive mesh refinement to resolve complex catalyst surface morphologies directly obtained from X-ray tomography data. An immersed boundary based formulation enables rapid representation of complex geometries prevalent in most mesoporous catalyst interfaces. The solver is developed on top of open-source performance portable library, AMReX, providing parallel execution capabilities on current and upcoming high-performance-computing (HPC) architectures. Our flexible software framework enables integration of complex chemical mechanisms at heterogenous interfaces and time-split algorithms for circumventing highly disparate reaction and flow time-scales. Our current studies indicate a ten-fold performance gain by using graphics-processing-units (GPUs) compared to a single processor for representative problem sizes (2 million cell mesh). We will also present a brief introduction on how to build and use this software for application problems pertaining to catalytic upgrading and gas transport within porous catalyst particles.

adaptive meshing↗
DOE OSTI2023

Effect of a micro-scale dislocation pileup on the atomic-scale multi-variant phase transformation and twinning

In this paper, we perform concurrent atomistic–continuum (CAC) simulations to assess the contribution of the internal stress induced by the microscale dislocation pileup at an atomically structured interface to the atomic-scale phase transformations (PTs), reverse PTs, and twinning. The main novelty of this work is to unify the atomistic description of the interface and the coarse-grained (CG) description of the lagging dislocations away from the interface within one single framework. Our major findings are: (a) the interface dynamically responds to a pileup by forming steps/ledges, the height of which is proportional to the number of dislocations arriving at the interface; (b) the pileup-induced internal stress concentration profile follows neither the classical Eshelby model nor the super-dislocation model alone, but a combination of them; (c) when the pre-sheared sample is compressed, a direct square-to-hexagonal PT occurs ahead of the pileup tip and eventually grows into a wedge shape. The two variants of the hexagonal phases form a twin with respect to each other; (d) upon a further increase of the loading, part of the newly formed hexagonal phase transforms back to the square phase. The square product phase resulting from this reverse PT forms a twin with respect to the initial square phase. All phase boundaries (PBs) and twin boundaries (TBs) are stationary and correspond to zero thermodynamic Eshelby driving forces; and (e) the microscale dislocation pileup-induced internal shear stress and the structural change at the atomic-scale interface reduces the stress required for initiating a PT by a factor of 5.5, comparing with that in the sample containing no dislocations. This work is the first characterization of the behavior of PTs/twinning resulting from the reaction between a microscale dislocation slip and an atomically structured interface. In conclusion, the gained knowledge will advance our understanding of how the multi-phase material behaves in many complex physical processes, such as the synthesis of multi-phase high-entropy alloys or superhard ceramics under high-pressure torsion, deep mantle earthquakes in geophysics, and so on, which all involve dislocation slip, PTs, twinning, and their interactions across from the atomistic to the microscale and beyond.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ca-dimers, solvent layering, and dominant electrochemically active species in Ca(BH4)2 in THF

Abstract Divalent ions (Mg, Ca, and Zn) are being considered as competitive, safe, and earth-abundant alternatives to Li-ion electrochemistry, but present challenges for stable cycling due to undesirable interfacial phenomena. We explore the formation of electroactive species in the electrolyte Ca(BH 4 ) 2 ∣THF using molecular dynamics coupled with a continuum model of bulk and interfacial speciation. Free-energy analysis and unsupervised learning indicate a majority population of neutral Ca dimers and monomers with diverse molecular conformations and an order of magnitude lower concentration of the primary electroactive charged species – the monocation, $${\rm{CaBH}}_{4}^{+}$$ CaBH 4 + – produced via disproportionation of neutral complexes. Dense layering of THF molecules within ~1 nm of the electrode surface strongly modulates local electrolyte species populations. A dramatic increase in monocation population in this interfacial zone is induced at negative bias. We see no evidence for electrochemical activity of fully-solvated Ca 2+ . The consequences for performance are discussed in light of this molecular-scale insight.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Simulating Underexpanded Plumes in Martian and Lunar Environments

While the Loci/Chem Computational fluid dynamics (CFD) application has been validated and used extensively for simulating launch environments in atmospheric conditions, use of this tool for simulating supersonic plumes at much lower ambient pressure requires further validation. Simulations of underexpanded plumes have been performed using Loci/Chem at Martian pressure to predict several metrics for laminar, turbulent, and impinging plumes. The CFD results are compared with an experimental data set for low Reynolds number plumes at these conditions in order to evaluate the current capability of the Loci/Chem tool for these types of environments. The CFD validation results to date show reasonable agreement with the experimental data across all the metrics of interest for the configurations considered. The Loci/Chem-Boltzmann tool is a hybrid continuum/rarefied flow solver which extends modeling capabilities to very low-pressure environments such as those on the Moon. The Loci/Chem-Boltzmann solver uses a gradient-based continuum breakdown criterion to restrict solution of the computationally expensive Boltzmann equation to only a subset of the domain, while using the Navier-Stokes equations elsewhere. This CFD application is under active development, and current efforts toward establishing production ready capability for evaluating Lunar plume surface interactions are well under way. Initial simulations of an Apollo Lunar excursion module indicate that several regions of the flow require solving the Boltzmann equations due to extreme rarefaction. Early simulations are promising, indicating reasonable overall computational time for a full 3D human scale lander simulation.

Plume Surface Interaction↗
DOE OSTI2023

Computing the Central Charge of the 3D Ising CFT Using Quantum Finite Elements

The 3D Ising conformal field theory (CFT) describes different physical systems, such as uniaxial magnets or fluids, at their critical points. In absence of an analytical solution for the 3D Ising model, the scaling dimensions and operator product expansion (OPE) coefficients characterizing this CFT must be determined numerically. The currently most-cited values for these quantities have been obtained from the conformal bootstrap, while lattice calculations have so far only produced reliable results for the scaling dimensions involved in calculating the critical exponents. Using Quantum Finite Elements to investigate critical \(\phi^4\)-theory on \(\mathbb{R}\times\mathbb{S}^2\), we show in this work that it is possible to extract scaling dimensions and OPE coefficients of the 3D Ising CFT by fitting the lattice four-point function with expectations from the operator product expansion for the radially quantized CFT and extrapolating to the continuum limit. This way, we have for the first time been able to use Monte Carlo simulations to compute the central charge of the theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗