Search

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their simulation, analysis, and data resources. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. In this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions., Comment: 60 pages, 14 figures; comments welcome

Over the south pole of Enceladus, an icy moon of Saturn, geysers eject water into space in a striped pattern, making Enceladus one of the most attractive destinations in the search for extraterrestrial life. We explore the ocean dynamics and tracer/heat transport associated with geysers as a function of the assumed salinity of the ocean and various core-shell heat partitions and bottom heating patterns. We find that, even if heating is concentrated into a narrow band on the seafloor directly beneath the south pole, the warm fluid becomes quickly mixed with its surroundings due to baroclinic instability. The warming signal beneath the ice is diffuse and insufficient to prevent the geyser from freezing over. Instead, if heating is assumed to be local to the geyser, emanating from tidal dissipation in the ice itself, the geyser can be sustained. In this case, the upper ocean beneath the ice becomes stably stratified and thus a barrier to vertical communication, leading to transit timescales from the core to the ice shell of hundreds of years.

While beta Pic is known to host silicates in ring-like structures, whether the properties of these silicate dust vary with stellocentric distance remains an open question. We re-analyze the beta Pictoris debris disk spectrum from the Spitzer Infrared Spectrograph (IRS) and a new IRTF/SpeX spectrum to investigate trends in Fe/Mg ratio, shape, and crystallinity in grains as a function of wavelength, a proxy for stellocentric distance. By analyzing a re-calibrated and re-extracted spectrum, we identify a new 18 micron forsterite emission feature and recover a 23 micron forsterite emission feature with a substantially larger line-to-continuum ratio than previously reported. We find that these prominent spectral features are primarily produced by small submicron-sized grains, which are continuously generated and replenished from planetesimal collisions in the disk and can elucidate their parent bodies' composition. We discover three trends about these small grains: as stellocentric distance increases, (1) small silicate grains become more crystalline (less amorphous), (2) they become more irregular in shape, and (3) for crystalline silicate grains, the Fe/Mg ratio decreases. Applying these trends to beta Pic's planetary architecture, we find that the dust population exterior to the orbits of beta Pic b and c differs substantially in crystallinity and shape. We also find a tentative 3-5 micron dust excess due to spatially unresolved hot dust emission close to the star. From our findings, we infer that the surfaces of large planetesimals are more Fe-rich and collisionally-processed closer to the star but more Fe-poor and primordial farther from the star., Comment: 19 pages, 12 figures, Accepted for Publication in ApJ

Of profound astrobiological interest, Enceladus appears to have a global subsurface ocean that is salty, indicating water-rock reaction at present or in the past, important for its habitability. Here, we investigate how salinity and the partition of heat production between the silicate core and the ice shell affect ocean dynamics and the associated heat transport -- a key factor that determines the equilibrium ice shell geometry. Assuming steady state conditions, we show that the meridional overturning circulation of the ocean, driven by heat and salt exchange with the ice, has opposing signs at very low and very high salinities. Regardless of these differing circulations, heat and freshwater converge towards the equator, where the ice is thick, acting to homogenize thickness variations. In order to maintain the observed ice thickness variation, the polar-amplified ice dissipation needs to be strong enough and ocean heat convergence cannot overwhelm well-constrained heat loss rates through the thick equatorial ice sheet. This requirement is found violated if the main heat source is in the core rather than the ice shell, or if the ocean is very fresh or very salty. Instead, with a salinity of intermediate range, the temperature- and salinity-induced density gradient largely cancel one another, leading to much reduced overturning and equatorial heat convergence rates and consistent budgets in appearance of a significant ice dissipation.

We have obtained Hubble Space Telescope STIS and NICMOS, and Gemini/GPI scattered light images of the HD 191089 debris disk. We identify two spatial components: a ring resembling Kuiper Belt in radial extent (FWHM: ${\sim}$25 au, centered at ${\sim}$46 au), and a halo extending to ${\sim}$640 au. We find that the halo is significantly bluer than the ring, consistent with the scenario that the ring serves as the "birth ring" for the smaller dust in the halo. We measure the scattering phase functions in the 30{\deg}-150{\deg} scattering angle range and find the halo dust is both more forward- and backward-scattering than the ring dust. We measure a surface density power law index of -0.68${\pm}$0.04 for the halo, which indicates the slow-down of the radial outward motion of the dust. Using radiative transfer modeling, we attempt to simultaneously reproduce the (visible) total and (near-infrared) polarized intensity images of the birth ring. Our modeling leads to mutually inconsistent results, indicating that more complex models, such as the inclusion of more realistic aggregate particles, are needed., Comment: 29 pages, 18 figures, ApJ accepted

We have obtained new NASA IRTF SpeX spectra of the HR 4796A debris ring system. We find a unique red excess flux that extends out to ~9 um in Spitzer IRS spectra, where thermal emission from cold, ~100K dust from the system's ring at ~75 AU takes over. Matching imaging ring photometry, we find the excess consists of NIR reflectance from the ring which is as red as that of old, processed comet nuclei, plus a tenuous thermal emission component from close-in, T ~ 850 K circumstellar material evincing an organic plus silicate emission feature complex at 7 - 13 um. Unusual, emission-like features due to atomic Si, S, Ca, and Sr were found at 0.96 - 1.07 um, likely sourced by rocky dust evaporating in the 850 K component. An empirical cometary dust phase function can reproduce the scattered light excess and 1:5 balance of scattered vs. thermal energy for the ring with optical depth Tau > 0.10 in an 8 AU wide belt of 4 AU vertical height and Mdust > 0.1-0.7 M_Mars. Our results are consistent with HR 4796A consisting of a narrow sheparded ring of devolatilized cometary material associated with multiple rocky planetesimal subcores, and a small steady stream of dust inflowing from this belt to a rock sublimation zone at approximately 1 AU from the primary. These subcores were built from comets that have been actively emitting large, reddish dust for > 0.4 Myr at 100K, the temperature at which cometary activity onset is seen in our Solar System., Comment: 26 Pages, 5 Figures, accepted for publication in the Astronomical Journal 07 August 2017

Using the NASA/IRTF SpeX & BASS spectrometers we have obtained novel 0.7 - 13 um observations of the newly imaged HD36546 debris disk system. The SpeX spectrum is most consistent with the photospheric emission expected from an Lstar ~ 20 Lsun, solar abundance A1.5V star with little/no extinction and excess emission from circumstellar dust detectable beyond 4.5 um. Non-detections of CO emission lines and accretion signatures point to the gas poor circumstellar environment of a very old transition disk. Combining the SpeX and BASS spectra with archival WISE/AKARI/IRAS/Herschel photometery, we find an outer cold dust belt at ~135K and 20 - 40 AU from the primary, likely coincident with the disk imaged by Subaru (Currie et al. 2017), and a new second inner belt with temperature ~570K and an unusual, broad SED maximum in the 6 - 9 um region, tracing dust at 1.1 - 2.2 AU. An SED maximum at 6 - 9 um has been reported in just two other A-star systems, HD131488 and HD121191, both of ~10 Myr age (Melis et al. 2013). From Spitzer, we have also identified the ~12 Myr old A7V HD148567 system as having similar 5 - 35 um excess spectral features (Mittal et al. 2015). The Spitzer data allows us to rule out water emission and rule in carbonaceous materials - organics, carbonates, SiC - as the source of the 6 - 9 um excess. Assuming a common origin for the 4 young Astar systems' disks, we suggest they are experiencing an early era of carbon-rich planetesimal processing., Comment: 14 Pages, 2 Figures

We analyze Spitzer IRS spectra of 110 B-, A-, F-, and G-type stars with optically thin infrared excess in the Scorpius-Centaurus (ScoCen) OB association. The age of these stars ranges from 11-17 Myr. We fit the infrared excesses observed in these sources by Spitzer IRS and Spitzer MIPS to simple dust models according to Mie theory. We find that nearly all the objects in our study can be fit by one or two belts of dust. Dust around lower mass stars appears to be closer in than around higher mass stars, particularly for the warm dust component in the two-belt systems, suggesting mass-dependent evolution of debris disks around young stars. For those objects with stellar companions, all dust distances are consistent with trunction of the debris disk by the binary companion. The gaps between several of the two-belt systems can place limits on the planets that might lie between the belts, potentially constraining the mass and locations of planets that may be forming around these stars., Comment: Accepted to ApJ. Updated tables

We report the discovery of the resolved disk around HD 131835 and present the analysis and modeling of its thermal emission. HD 131835 is a ~15 Myr A2 star in the Scorpius-Centaurus OB association at a distance of 122.7 +16.2 -12.8 parsec. The extended disk has been detected to ~1.5" (200 AU) at 11.7 {\mu}m and 18.3 {\mu}m with T-ReCS on Gemini South. The disk is inclined at an angle of ~75{\deg} with the position angle of ~61{\deg}. The flux of HD 131835 system is 49.3+-7.6 mJy and 84+-45 mJy at 11.7 {\mu}m and 18.3 {\mu}m respectively. A model with three grain populations gives a satisfactory fit to both the spectral energy distribution and the images simultaneously. This best-fit model is composed of a hot continuous power-law disk and two rings. We characterized the grain temperature profile and found that the grains in all three populations are emitting at temperatures higher than blackbodies. In particular, the grains in the continuous disk are unusually warm; even when considering small graphite particles as the composition., Comment: 11 pages, 5 figures, Accepted for Publication in ApJ

The brightest transitional protoplanetary disks are often azimuthally asymmetric: their mm-wave thermal emission peaks strongly on one side. Dust overdensities can exceed $\sim$100:1, while gas densities vary by factors less than a few. We propose that these remarkable ALMA observations---which may bear on how planetesimals form---reflect a gravitational global mode in the gas disk. The mode is (1) fast---its pattern speed equals the disk's mean Keplerian frequency; (2) of azimuthal wavenumber $m=1$, displacing the host star from the barycenter; and (3) Toomre-stable. We solve for gas streamlines including the indirect stellar potential in the frame rotating with the pattern speed, under the drastic simplification that gas does not feel its own gravity. Near co-rotation, the gas disk takes the form of a horseshoe-shaped annulus. Dust particles with aerodynamic stopping times much shorter or much longer than the orbital period are dragged by gas toward the horseshoe center. For intermediate stopping times, dust converges toward a $\sim$45$^\circ$-wide arc on the co-rotation circle. Particles that do not reach their final accumulation points within disk lifetimes, either because of gas turbulence or long particle drift times, conform to horseshoe-shaped gas streamlines. Our mode is not self-consistent because we neglect gas self-gravity; still, we expect that trends between accumulation location and particle size, similar to those we have found, are generically predicted by fast modes and are potentially observable. Unlike vortices, global modes are not restricted in radial width to the pressure scale height; their large radial and azimuthal extents may better match observations., Comment: Accepted to ApJ Letters

We present the first results from the polarimetry mode of the Gemini Planet Imager (GPI), which uses a new integral field polarimetry architecture to provide high contrast linear polarimetry with minimal systematic biases between the orthogonal polarizations. We describe the design, data reduction methods, and performance of polarimetry with GPI. Point spread function subtraction via differential polarimetry suppresses unpolarized starlight by a factor of over 100, and provides sensitivity to circumstellar dust reaching the photon noise limit for these observations. In the case of the circumstellar disk around HR 4796A, GPI's advanced adaptive optics system reveals the disk clearly even prior to PSF subtraction. In polarized light, the disk is seen all the way in to its semi-minor axis for the first time. The disk exhibits surprisingly strong asymmetry in polarized intensity, with the west side >9 times brighter than the east side despite the fact that the east side is slightly brighter in total intensity. Based on a synthesis of the total and polarized intensities, we now believe that the west side is closer to us, contrary to most prior interpretations. Forward scattering by relatively large silicate dust particles leads to the strong polarized intensity on the west side, and the ring must be slightly optically thick in order to explain the lower brightness in total intensity there. These findings suggest that the ring is geometrically narrow and dynamically cold, perhaps shepherded by larger bodies in the same manner as Saturn's F ring., Comment: 27 pages, 16 figures, submitted to the Astrophysical Journal. A version with full resolution figures is available at http://www.stsci.edu/~mperrin/papers/gpi_polarimetry_and_HR_4796A.pdf

We have spatially resolved five debris disks (HD 30447, HD 35841, HD 141943, HD 191089, and HD 202917) for the first time in near-infrared scattered light by reanalyzing archival Hubble Space Telescope (HST)/NICMOS coronagraphic images obtained between 1999 and 2006. One of these disks (HD 202917) was previously resolved at visible wavelengths using HST/Advanced Camera for Surveys. To obtain these new disk images, we performed advanced point-spread function subtraction based on the Karhunen-Loeve Image Projection (KLIP) algorithm on recently reprocessed NICMOS data with improved detector artifact removal (Legacy Archive PSF Library And Circumstellar Environments Legacy program). Three of the disks (HD 30447, HD 35841, and HD 141943) appear edge-on, while the other two (HD 191089 and HD 202917) appear inclined. The inclined disks have been sculpted into rings; in particular, the disk around HD 202917 exhibits strong asymmetries. All five host stars are young (8-40 Myr), nearby (40-100 pc) F and G stars, and one (HD 141943) is a close analog to the young sun during the epoch of terrestrial planet formation. Our discoveries increase the number of debris disks resolved in scattered light from 19 to 23 (a 21% increase). Given their youth, proximity, and brightness (V = 7.2 to 8.5), these targets are excellent candidates for follow-up investigations of planet formation at visible wavelengths using the HST/STIS coronagraph, at near-infrared wavelengths with the Gemini Planet Imager (GPI) and Very Large Telescope (VLT)/SPHERE, and at thermal infrared wavelengths with the James Webb Space Telescope NIRCam and MIRI coronagraphs., Comment: 6 pages, 1 figure, 1 table