2005 Publications

Active Microphase Separation in Mixtures of Microtubules and Tip-Accumulating Molecular Motors

Bezia Lemma , Noah P. Mitchell, D. Needleman, et al.

Mixtures of filaments and molecular motors form active materials with diverse dynamical behaviors that vary based on their constituents’ molecular properties. To develop a multiscale of these materials, we map the nonequilibrium phase diagram of microtubules and tip-accumulating kinesin-4 molecular motors. We find that kinesin-4 can drive either global contractions or turbulent like extensile dynamics, depending on the concentrations of both microtubules and a bundling agent. We also observe a range of spatially heterogeneous nonequilibrium phases, including finite-sized radial asters, 1D wormlike chains, extended 2D bilayers, and system-spanning 3D active foams. Finally, we describe intricate kinetic pathways that yield microphase-separated structures and arise from the inherent frustration between the orientational order of filamentous microtubules and the positional order of tip-accumulating molecular motors. Our work reveals a range of novel active states. It also shows that the form of active stresses is not solely dictated by the properties of individual motors and filaments, but is also contingent on the constituent concentrations and spatial arrangement of motors on the filaments.

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A sequence-based global map of regulatory activity for deciphering human genetics

Kathleen Chen, A. Wong, O. Troyanskaya, Jian Zhou

Epigenomic profiling has enabled large-scale identification of regulatory elements, yet we still lack a systematic mapping from any sequence or variant to regulatory activities. We address this challenge with Sei, a framework for integrating human genetics data with sequence information to discover the regulatory basis of traits and diseases. Sei learns a vocabulary of regulatory activities, called sequence classes, using a deep learning model that predicts 21,907 chromatin profiles across >1,300 cell lines and tissues. Sequence classes provide a global classification and quantification of sequence and variant effects based on diverse regulatory activities, such as cell type-specific enhancer functions. These predictions are supported by tissue-specific expression, expression quantitative trait loci and evolutionary constraint data. Furthermore, sequence classes enable characterization of the tissue-specific, regulatory architecture of complex traits and generate mechanistic hypotheses for individual regulatory pathogenic mutations. We provide Sei as a resource to elucidate the regulatory basis of human health and disease.

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Weakly nonlinear analysis of pattern formation in active suspensions

Laurel Ohm, M. Shelley

We consider the Saintillan--Shelley kinetic model of active rodlike particles in Stokes flow (Saintillan & Shelley 2008a,b), for which the uniform, isotropic suspension of pusher particles is known to be unstable in certain settings. Through weakly nonlinear analysis accompanied by numerical simulations, we determine exactly how the isotropic steady state loses stability in different parameter regimes. We study each of the various types of bifurcations admitted by the system, including both subcritical and supercritical Hopf and pitchfork bifurcations. Elucidating this system's behavior near these bifurcations provides a theoretical means of comparing this model with other physical systems which transition to turbulence, and makes predictions about the nature of bifurcations in active suspensions that can be explored experimentally.

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Effect of spin-orbit coupling on the high harmonics from the topological Dirac semimetal Na3Bi

Nicolas Tancogne-Dejean, Florian G. Eich, A. Rubio
In this work, we performed extensive first-principles simulations of high-harmonic generation in the topological Diract semimetal Na3Bi using a time-dependent density functional theory framework, focusing on the effect of spin-orbit coupling (SOC) on the harmonic response. We also derived a general analytical model describing the microscopic mechanism of strong-field dynamics in presence of spin-orbit coupling, starting from a locally U(1)xSU(2) gauge-invariant Hamiltonian. Our results reveal that SOC: (i) affects the strong-field ionization by modifying the bandstructure of Na3Bi, (ii) modifies the electron velocity, making each spin channel to react differently to the pump laser field, (iii) changes the emission timing of the emitted harmonics. Moreover, we show that the SOC affects the harmonic emission by directly coupling the charge current to the spin currents, paving the way to the high-harmonic spectroscopy of spin currents in solids.
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Bayesian control variates for optimal covariance estimation with pairs of simulations and surrogates

Nicolas Chartier, B. Wandelt

Predictions of the mean and covariance matrix of summary statistics are critical for confronting cosmological theories with observations, not least for likelihood approximations and parameter inference. Accurate estimates require running costly N-body and hydrodynamics simulations. Approximate solvers, or surrogates, greatly reduce the computational cost but introduce biases, especially in the non-linear regime of structure growth. We propose ‘CARPool Bayes’ to solve the inference problem for both the means and covariances using a combination of simulations and surrogates. Our approach allows incorporating prior information for the mean and covariance. We derive closed-form solutions for maximum a posteriori covariance estimates that are efficient Bayesian shrinkage estimators, guarantee positive semidefiniteness, and can optionally leverage analytical covariance approximations. We discuss choices of the prior and propose a procedure for obtaining optimal prior hyperparameter values with a small set of test simulations. We test our method by estimating the covariances of clustering statistics of GADGET-IIIN-body simulations at redshift z = 0.5 using surrogates from a 100–1000× faster particle-mesh code. Taking the sample covariance from 15 000 simulations as the truth, and using an empirical Bayes prior with diagonal blocks, our estimator produces nearly identical Fisher matrix contours for ΛCDM parameters using only 15 simulations of the non-linear dark matter power spectrum. In this case, the number of simulations is so small that the sample covariance is degenerate. We show cases where even with a naïve prior our method improves the estimate. Our framework is applicable to a wide range of cosmological problems where fast surrogates are available.

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Terahertz-induced high-order harmonic generation and nonlinear charge transport in graphene

Wenwen Mao, A. Rubio, Shunsuke A. Sato
We theoretically study the THz-induced high-order harmonic generation (HHG) and nonlinear electric transport in graphene based on the quantum master equation with the relaxation time approximation. To obtain microscopic insight into the phenomena, we compare the results of the fully dynamical calculations with those under a quasi-static approximation, where the electronic system is approximated as a nonequilibrium steady state. As a result, we find that the THz-induced electron dynamics in graphene can be accurately modeled with the nonequilibrium steady-state at each instance. The population distribution analysis further clarifies that the THz-induced HHG in graphene originates from the reduction of effective conductivity due to a large displacement of electrons in the Brillouin zone. By comparing the present nonequilibrium picture with a thermodynamic picture, we explore the role of the nonequilibrium nature of electron dynamics on the extremely nonlinear optical and transport phenomena in graphene.
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The Atacama Cosmology Telescope: Constraints on Pre-Recombination Early Dark Energy

J. C. Hill, Erminia Calabrese, S. Aiola, ..., M. Hasselfield, ..., S. Naess, ..., D. Spergel, et. al.

The early dark energy (EDE) scenario aims to increase the value of the Hubble constant (H0) inferred from cosmic microwave background (CMB) data over that found in ΛCDM, via the introduction of a new form of energy density in the early universe. The EDE component briefly accelerates cosmic expansion just prior to recombination, which reduces the physical size of the sound horizon imprinted in the CMB. Previous work has found that non-zero EDE is not preferred by Planck CMB power spectrum data alone, which yield a 95% confidence level (CL) upper limit fEDE99.7% CL: fEDE=0.091+0.020−0.036, with H0=70.9+1.0−2.0 km/s/Mpc (both 68% CL). From a model-selection standpoint, we find that EDE is favored over ΛCDM by these data at roughly 3σ significance. In contrast, a joint analysis of the full Planck and ACT data yields no evidence for EDE, as previously found for Planck alone. We show that the preference for EDE in ACT alone is driven by its TE and EE power spectrum data. The tight constraint on EDE from Planck alone is driven by its high-ℓ TT power spectrum data. Understanding whether these differing constraints are physical in nature, due to systematics, or simply a rare statistical fluctuation is of high priority. The best-fit EDE models to ACT and Planck exhibit coherent differences across a wide range of multipoles in TE and EE, indicating that a powerful test of this scenario is anticipated with near-future data from ACT and other ground-based experiments.

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The 3D Galactocentric Velocities of Kepler Stars: Marginalizing Over Missing Radial Velocities

Precise Gaia measurements of positions, parallaxes, and proper motions provide an opportunity to calculate 3D positions and 2D velocities (i.e., 5D phase-space) of Milky Way stars. Where available, spectroscopic radial velocity (RV) measurements provide full 6D phase-space information, however there are now and will remain many stars without RV measurements. Without an RV it is not possible to directly calculate 3D stellar velocities; however, one can infer 3D stellar velocities by marginalizing over the missing RV dimension. In this paper, we infer the 3D velocities of stars in the Kepler field in Cartesian Galactocentric coordinates (vx, vy, vz). We directly calculate velocities for around a quarter of all Kepler targets, using RV measurements available from the Gaia, LAMOST, and APOGEE spectroscopic surveys. Using the velocity distributions of these stars as our prior, we infer velocities for the remaining three quarters of the sample by marginalizing over the RV dimension. The median uncertainties on our inferred vx, vy, and vz velocities are around 4, 18, and 4 km s−1, respectively. We provide 3D velocities for a total of 148,590 stars in the Kepler field. These 3D velocities could enable kinematic age-dating, Milky Way stellar population studies, and other scientific studies using the benchmark sample of well-studied Kepler stars. Although the methodology used here is broadly applicable to targets across the sky, our prior is specifically constructed from and for the Kepler field. Care should be taken to use a suitable prior when extending this method to other parts of the Galaxy.

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