2005 Publications

Ab Initio Cluster Approach for High Harmonic Generation in Liquids

Ofer Neufeld, Zahra Nourbakhsh, Nicolas Tancogne-Dejean, A. Rubio
High harmonic generation (HHG) takes place in all phases of matter. In gaseous atomic and molecular media, it has been extensively studied and is very well-understood. In solids research is ongoing, but a consensus is forming for the dominant microscopic HHG mechanisms. In liquids on the other hand, no established theory yet exit and approaches developed for gases and solids are generally inapplicable, hindering our current understanding. We develop here a powerful and reliable ab-initio cluster-based approach for describing the nonlinear interactions between isotropic bulk liquids and intense laser pulses. The scheme is based on time-dependent density functional theory and utilizes several approximations that make it feasible yet accurate in realistic systems. We demonstrate our approach with HHG calculations in water, ammonia, and methane liquids, and compare the characteristic response of polar and non-polar liquids. We identify unique features in the HHG spectra of liquid methane that could be utilized for ultrafast spectroscopy of its chemical and physical properties: (i) a structural minima at 15-17eV, and (ii) a well-like shape in the perturbative region that is reminiscent of a shape resonance. Our results pave the way to accessible calculations of HHG in liquids and illustrate the unique nonlinear nature of liquid systems.
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Unconventional excitonic states with phonon sidebands in layered silicon diphosphide

Ling Zhou, Junwei Huang, Lukas Windgaetter, Chin Shen Ong, Xiaoxu Zhao, Caorong Zhang, Ming Tang, Zeya Li, Caiyu Qiu, Simone Latini, Yangfan Lu, Di Wu, Huiyang Gou, Andrew T. S. Wee, Hideo Hosono, Steven G. Louie, Peizhe Tang, A. Rubio, Hongtao Yuan
Many-body interactions between quasiparticles (electrons, excitons, and phonons) have led to the emergence of new complex correlated states and are at the core of condensed matter physics and material science. In low-dimensional materials, unique electronic properties for these correlated states could significantly affect their optical properties. Herein, combining photoluminescence, optical reflection measurements and theoretical calculations, we demonstrate an unconventional excitonic state and its bound phonon sideband in layered silicon diphosphide (SiP
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Quantifying the role of the lattice in metal–insulator phase transitions

Alexandru B. Georgescu, Andrew J. Millis
Many materials exhibit phase transitions at which both the electronic properties and the crystal structure change. Some authors have argued that the change in electronic order is primary, with the lattice distortion a relatively minor side-effect, and others have argued that the lattice distortions play an essential role in the energetics of the transition. In this paper, we introduce a formalism that resolves this long-standing problem. The methodology works with any electronic structure method that produces solutions of the equation of state determining the electronic order parameter as a function of lattice distortion. We use the formalism to settle the question of the physics of the metal--insulator transitions in the rare-earth perovskite nickelates (RNiO3) and Ruddlesden--Popper calcium ruthenates (Ca2RuO4) in bulk, heterostructure, and epitaxially strained thin film forms, finding that electron-lattice coupling is key to stabilizing the insulating state in both classes of materials.
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On the Hunt for the Origins of the Orphan–Chenab Stream: Detailed Element Abundances with APOGEE and Gaia

K. Hawkins, A. Price-Whelan, A. A. Sheffield, A. Z. Subrahimovic, R. L. Beaton, V. Belokurov, D. Erkal, S. E. Koposov, R. R. Lane, C. Laporte, C. Nitschelm

Stellar streams in the Galactic halo are useful probes of the assembly of galaxies like the Milky Way. Many tidal stellar streams that have been found in recent years are accompanied by a known progenitor globular cluster or dwarf galaxy. However, the Orphan--Chenab (OC) stream is one case where a relatively narrow stream of stars has been found without a known progenitor. In an effort to find the parent of the OC stream, we use astrometry from the early third data release of ESA's Gaia mission (Gaia EDR3) and radial velocity information from the SDSS-IV APOGEE survey to find up to 13 stars that are likely members of the OC stream. We use the APOGEE survey to study the chemical nature (for up to 13 stars) of the OC stream in the α (O, Mg, Ca, Si, Ti, S), odd-Z (Al, K, V), Fe-peak (Fe, Ni, Mn, Co, Cr) and neutron capture (Ce) elemental groups. We find that the stars that make up the OC stream are not consistent with a mono-metallic population and have a median metallicity of --1.92~dex with a dispersion of 0.28 dex. Our results also indicate that the α-elements are depleted compared to the known Milky Way populations and that its [Mg/Al] abundance ratio is not consistent with second generation stars from globular clusters. The detailed chemical pattern of these stars indicates that the OC stream progenitor is very likely to be a dwarf spheroidal galaxy with a mass of ~106 M⊙.

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May 27, 2022

Towards the cellular-scale simulation of motor-driven cytoskeletal assemblies

W. Yan, Saad Ansari, A. Lamson, Matthew A. Glaser, Meredith Betterton, M. Shelley

The cytoskeleton -- a collection of polymeric filaments, molecular motors, and crosslinkers -- is a foundational example of active matter, and in the cell assembles into organelles that guide basic biological functions. Simulation of cytoskeletal assemblies is an important tool for modeling cellular processes and understanding their surprising material properties. Here we present aLENS, a novel computational framework to surmount the limits of conventional simulation methods. We model molecular motors with crosslinking kinetics that adhere to a thermodynamic energy landscape, and integrate the system dynamics while efficiently and stably enforcing hard-body repulsion between filaments -- molecular potentials are entirely avoided in imposing steric constraints. Utilizing parallel computing, we simulate different mixtures of tens to hundreds of thousands of cytoskeletal filaments and crosslinking motors, recapitulating self-emergent phenomena such as bundle formation and buckling, and elucidating how motor type, thermal fluctuations, internal stresses, and confinement determine the evolution of active matter aggregates.

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May 26, 2022

A Measurement of Stellar Surface Gravity Hidden in Radial Velocity Differences of Co-moving Stars

Matthew Moschella, Oren Slone, Jeff A. Dror, M. Cantiello, Hagai B. Perets

The gravitational redshift induced by stellar surface gravity is notoriously difficult to measure for non-degenerate stars, since its amplitude is small in comparison with the typical Doppler shift induced by stellar radial velocity. In this study, we make use of the large observational data set of the Gaia mission to achieve a significant reduction of noise caused by these random stellar motions. By measuring the differences in velocities between the components of pairs of co-moving stars and wide binaries, we are able to statistically measure the combined effects of gravitational redshift and convective blueshifting of spectral lines, and nullify the effect of the peculiar motions of the stars. For the subset of stars considered in this study, we find a positive correlation between the observed differences in Gaia radial velocities and the differences in surface gravity and convective blueshift inferred from effective temperature and luminosity measurements. The results rule out a null signal at the 5σ level for our full data-set. Additionally, we study the sub-dominant effects of binary motion, and possible systematic errors in radial velocity measurements within Gaia. Results from the technique presented in this study are expected to improve significantly with data from the next Gaia data release. Such improvements could be used to constrain the mass-luminosity relation and stellar models which predict the magnitude of convective blueshift.

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Bright z~9 Galaxies in Parallel: The Bright End of the Rest-UV Luminosity Function from HST Parallel Programs

Micaela B. Bagley, Steven L. Finkelstein, Sofía Rojas-Ruiz, ..., R. Somerville, et. al.

The abundance of bright galaxies at z>8 can provide key constraints on models of galaxy formation and evolution, as the predicted abundance varies greatly when different physical prescriptions for gas cooling and star formation are implemented. We present the results of a search for bright z=9-10 galaxies selected from pure-parallel Hubble Space Telescope imaging programs. We include 132 fields observed as part of the Brightest of Reionizing Galaxies survey, the Hubble Infrared Pure Parallel Imaging Extragalactic Survey, and the WFC3 Infrared Spectroscopic Parallel survey. These observations cover a total of 620 sq. arcmin, about 70% of which is also covered with Spitzer Space Telescope infrared imaging. We identify thirteen candidate galaxies in the range 8.3<z<11 with 24.5 < m_H < 26.5 (-22.9 < M_UV < -21.2). This sample capitalizes on the uncorrelated nature of pure parallel observations to overcome cosmic variance and leverages a full multi-wavelength selection process to minimize contamination without sacrificing completeness. We perform detailed completeness and contamination analyses, and present measurements of the bright end of the UV luminosity function using a pseudo-binning technique. We find a number density consistent with results from Finkelstein et al. (2022) and other searches in HST parallel fields. These bright candidates likely reside in overdensities, potentially representing some of the earliest sites of cosmic reionization. These new candidates are excellent targets for follow-up with JWST, and four of them will be observed with the NIRSpec prism in Cycle 1.

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Charting Galactic Accelerations with Stellar Streams and Machine Learning

J. Nibauer, V. Belokurov, M. Cranmer, J. Goodman, S. Ho

We present a data-driven method for reconstructing the galactic acceleration field from phase-space measurements of stellar streams. Our approach is based on a flexible and differentiable fit to the stream in phase-space, enabling a direct estimate of the acceleration vector along the stream. Reconstruction of the local acceleration field can be applied independently to each of several streams, allowing us to sample the acceleration field due to the underlying galactic potential across a range of scales. Our approach is methodologically different from previous works, since a model for the gravitational potential does not need to be adopted beforehand. Instead, our flexible neural-network-based model treats the stream as a collection of orbits with a locally similar mixture of energies, rather than assuming that the stream delineates a single stellar orbit. Accordingly, our approach allows for distinct regions of the stream to have different mean energies, as is the case for real stellar streams. Once the acceleration vector is sampled along the stream, standard analytic models for the galactic potential can then be rapidly constrained. We find our method recovers the correct parameters for a ground-truth triaxial logarithmic halo potential when applied to simulated stellar streams. Alternatively, we demonstrate that a flexible potential can be constrained with a neural network, though standard multipole expansions can also be constrained. Our approach is applicable to simple and complicated gravitational potentials alike, and enables potential reconstruction from a fully data-driven standpoint using measurements of slowly phase-mixing tidal debris.

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Mapping Dark Matter with Extragalactic Stellar Streams: the Case of Centaurus A

S. Pearson, A. Price-Whelan, D. Hogg, A. Seth, D. J. Sand, J. Hunt, D. Crnojevic

In the coming decade, thousands of stellar streams will be observed in the halos of external galaxies. What fundamental discoveries will we make about dark matter from these streams? As a first attempt to look at these questions, we model Magellan/Megacam imaging of the Centaurus A's (Cen A) disrupting dwarf companion Dwarf 3 (Dw3) and its associated stellar stream, to find out what can be learned about the Cen A dark-matter halo. We develop a novel external galaxy stream-fitting technique and generate model stellar streams that reproduce the stream morphology visible in the imaging. We find that there are many viable stream models that fit the data well, with reasonable parameters, provided that Cen A has a halo mass larger than M200 >4.70×1012 M⊙. There is a second stream in Cen A's halo that is also reproduced within the context of this same dynamical model. However, stream morphology in the imaging alone does not uniquely determine the mass or mass distribution for the Cen A halo. In particular, the stream models with high likelihood show covariances between the inferred Cen A mass distribution, the inferred Dw3 progenitor mass, the Dw3 velocity, and the Dw3 line-of-sight position. We show that these degeneracies can be broken with radial-velocity measurements along the stream, and that a single radial velocity measurement puts a substantial lower limit on the halo mass. These results suggest that targeted radial-velocity measurements will be critical if we want to learn about dark matter from extragalactic stellar streams.

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May 24, 2022
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