2573 Publications

Fragmented Cooper Pair Condensation in Striped Superconductors

Condensation of bosons in Bose-Einstein condensates or Cooper pairs in superconductors refers to a macroscopic occupation of a few single- or two-particle states. A condensate is called "fragmented" if not a single, but multiple states are macroscopically occupied. While fragmentation is known to occur in particular Bose-Einstein condensates, we propose that fragmentation naturally takes place in striped superconductors. To this end, we investigate the nature of the superconducting ground state realized in the two-dimensional t-t-J model. In the presence of charge density modulations, the condensate is shown to be fragmented and composed of partial condensates located on the stripes. The fragments of the condensates hybridize to form an extended macroscopic wave function across the system. The results are obtained from evaluating the singlet-pairing two-particle density matrix of the ground state on finite cylinders computed via the density matrix renormalization group (DMRG) method. Our results shed light on the intricate relation between stripe order and superconductivity in systems of strongly correlated electrons.
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October 1, 2022

Deep Learning the Functional Renormalization Group

Domenico Di Sante, Matija Medvidović, Alessandro Toschi, Giorgio Sangiovanni, Cesare Franchini, A. Sengupta, Andrew J. Millis

We perform a data-driven dimensionality reduction of the scale-dependent four-point vertex function characterizing the functional renormalization group (FRG) flow for the widely studied two-dimensional \(t−t′\) Hubbard model on the square lattice. We demonstrate that a deep learning architecture based on a neural ordinary differential equation solver in a low-dimensional latent space efficiently learns the FRG dynamics that delineates the various magnetic and d-wave superconducting regimes of the Hubbard model. We further present a dynamic mode decomposition analysis that confirms that a small number of modes are indeed sufficient to capture the FRG dynamics. Our Letter demonstrates the possibility of using artificial intelligence to extract compact representations of the four-point vertex functions for correlated electrons, a goal of utmost importance for the success of cutting-edge quantum field theoretical methods for tackling the many-electron problem.

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Can we detect deep axisymmetric toroidal magnetic fields in stars?

Hachem Dhouib, Stéphane Mathis, L. Bugnet, Timothy Van Reeth, Conny Aerts

One of the major discoveries of asteroseismology is the signature of a strong extraction of angular momentum (AM) in the radiative zones of stars across the entire Hertzsprung-Russell diagram, resulting in weak core-to-surface rotation contrasts. Despite all efforts, a consistent AM transport theory, which reproduces both the internal rotation and mixing probed thanks to the seismology of stars, remains one of the major open problems in modern stellar astrophysics. A possible key ingredient to figure out this puzzle is magnetic field with its various possible topologies. Among them, strong axisymmetric toroidal fields, which are subject to the so-called Tayler MHD instability, could play a major role. They could trigger a dynamo action in radiative layers while the resulting magnetic torque allows an efficient transport of AM. But is it possible to detect signatures of these deep toroidal magnetic fields? The only way to answer this question is asteroseismology and the best laboratories of study are intermediate-mass and massive stars because of their external radiative envelope. Since most of these are rapid rotators during their main-sequence, we have to study stellar pulsations propagating in stably stratified, rotating, and potentially strongly magnetised radiative zones. For that, we generalise the traditional approximation of rotation, which provides in its classic version a flexible treatment of the adiabatic propagation of gravito-inertial modes, by taking simultaneously general axisymmetric differential rotation and toroidal magnetic fields into account. Using this new non-perturbative formalism, we derive the asymptotic properties of magneto-gravito-inertial modes and we explore the different possible field configurations. We found that the magnetic effects should be detectable for equatorial fields using high-precision asteroseismic data.

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Accurate de novo design of membrane-traversing macrocycles

G. Bhardwaj, G. Bhardwaj, J. O’Connor, V. Mulligan, et al.

We use computational design coupled with experimental characterization to systematically investigate the design principles for macrocycle membrane permeability and oral bioavailability. We designed 184 6–12 residue macrocycles with a wide range of predicted structures containing noncanonical backbone modifications and experimentally determined structures of 35; 29 are very close to the computational models. With such control, we show that membrane permeability can be systematically achieved by ensuring all amide (NH) groups are engaged in internal hydrogen bonding interactions. 84 designs over the 6–12 residue size range cross membranes with an apparent permeability greater than 1 × 10−6 cm/s. Designs with exposed NH groups can be made membrane permeable through the design of an alternative isoenergetic fully hydrogen-bonded state favored in the lipid membrane. The ability to robustly design membrane-permeable and orally bioavailable peptides with high structural accuracy should contribute to the next generation of designed macrocycle therapeutic

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September 15, 2022

Finite inflation in curved space

Lukas T Hergt, F. Agocs, Will J Handley, Michael P Hobson, Anthony N Lasenby

We investigate the effects of non-zero spatial curvature on cosmic inflation in the light of cosmic microwave background (CMB) anisotropy measurements from the Planck 2018 legacy release and from the 2015 observing season of BICEP2 and the Keck Array. Even a small percentage of non-zero curvature today would significantly limit the total number of e-folds of the scale factor during inflation, rendering just-enough inflation scenarios with a kinetically dominated or fast-roll stage prior to slow-roll inflation more likely. Finite inflation leads to oscillations and a cutoff towards large scales in the primordial power spectrum and curvature pushes them into the CMB observable window. Using nested sampling, we carry out Bayesian parameter estimations and model comparisons taking into account constraints from reheating and horizon considerations. We confirm the preference of CMB data for closed universes with Bayesian odds of over 100:1 and with a posterior on the curvature density parameter of ΩK,0=−0.051±0.017 for a curvature extension of LCDM and ΩK,0=−0.031±0.014 for Starobinsky inflation. Model comparisons of various inflation models give similar results as for flat universes with the Starobinsky model outperforming most other models.

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Robust ab initio solution of the cryo-EM reconstruction problem at low resolution with small data sets

Aaditya V. Rangan, L. Greengard

Single particle cryo-electron microscopy has become a critical tool in structural biology over the last decade, able to achieve atomic scale resolution in three dimensional models from hundreds of thousands of (noisy) two-dimensional projection views of particles frozen at unknown orientations. This is accomplished by using a suite of software tools to (i) identify particles in large micrographs, (ii) obtain low-resolution reconstructions, (iii) refine those low-resolution structures, and (iv) finally match the obtained electron scattering density to the constituent atoms that make up the macromolecule or macromolecular complex of interest. Here, we focus on the second stage of the reconstruction pipeline: obtaining a low resolution model from picked particle images. Our goal is to create an algorithm that is capable of ab initio reconstruction from small data sets (on the order of a few thousand selected particles). More precisely, we seek an algorithm that is robust, automatic, able to assess particle quality, and fast enough that it can potentially be used to assist in the assessment of the data being generated while the microscopy experiment is still underway.

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Quadrature by fundamental solutions: kernel-independent layer potential evaluation for large collections of simple objects

Well-conditioned boundary integral methods for the solution of elliptic boundary value problems (BVPs) are powerful tools for static and dynamic physical simulations. When there are many close-to-touching boundaries (e.g., in complex fluids) or when the solution is needed in the bulk, nearly singular integrals must be evaluated at many targets. We show that precomputing a linear map from surface density to an effective source representation renders this task highly efficient, in the common case where each object is “simple”, i.e., its smooth boundary needs only moderately many nodes. We present a kernel-independent method needing only an upsampled smooth surface quadrature, and one dense factorization, for each distinct shape. No (near-)singular quadrature rules are needed. The resulting effective sources are drop-in compatible with fast algorithms, with no local corrections nor bookkeeping. Our extensive numerical tests include 2D FMM-based Helmholtz and Stokes BVPs with up to 1000 objects (281000 unknowns), and a 3D Laplace BVP with 10 ellipsoids separated by 1/30 of a diameter. We include a rigorous analysis for analytic data in 2D and 3D.

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An exploration of the properties of cluster profiles for the thermal and kinetic Sunyaev–Zel’dovich effects

Billy K. K. Lee, W. Coulton , Leander Thiele, S. Ho

With the advent of high-resolution, low-noise CMB measurements, the ability to extract cosmological information from thermal Sunyaev-Zel'dovich effect and kinetic Sunyaev-Zel'dovich effect will be limited not by statistical uncertainties but rather by systematic and theoretical uncertainties. The theoretical uncertainty is driven by the lack of knowledge about the electron pressure and density. Thus we explore the electron pressure and density distributions in the IllustrisTNG hydrodynamical simulations, and we demonstrate that the cluster properties exhibit a strong dependence on the halo concentration -- providing some of the first evidence of cluster assembly bias in the electron pressure and density. Further, our work shows evidence for a broken power-law mass dependence, with lower pressure in lower mass halos than previous work and a strong evolution with mass of the radial correlations in the electron density and pressure. Both of these effects highlight the differing impact of active galactic nuclei and supernova feedback on the gas in galaxy groups compared to massive clusters. We verified that we see qualitatively similar features in the SIMBA hydro-dynamical simulations, suggesting these effects could be generic features. Finally, we provide a parametric formula for the electron pressure and density profile as a function of dark matter halo mass, halo concentration, and redshift. These fitting formulae can reproduce the distribution of density and pressure of clusters and will be useful in extracting cosmological information from upcoming CMB surveys.

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Mechanics of stabilized intercellular bridges

Jaspreet Singh, J. I. Alsous, Krishna Garikipati, S. Shvartsman

Numerous engineered and natural systems form through reinforcement and stabilization of a deformed configuration that was generated by a transient force. An important class of such structures arises during gametogenesis, when a dividing cell undergoes incomplete cytokinesis, giving rise to daughter cells that remain connected through a stabilized intercellular bridge (ICB). ICBs can form through arrest of the contractile cytokinetic furrow and its subsequent stabilization. Despite knowledge of the molecular components, the mechanics underlying robust ICB assembly and the interplay between ring contractility and stiffening are poorly understood. Here, we report joint experimental and theoretical work that explores the physics underlying robust ICB assembly. We develop a continuum mechanics model that reveals the minimal requirements for the formation of stable ICBs, and validate the model’s equilibrium predictions through a tabletop experimental analog. With insight into the equilibrium states, we turn to the dynamics: we demonstrate that contractility and stiffening are in dynamic competition and that the time intervals of their action must overlap to ensure assembly of ICBs of biologically observed proportions. Our results highlight a mechanism in which deformation and remodeling are tightly coordinated—one that is applicable to several mechanics-based applications and is a common theme in biological systems spanning several length scales.

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The role of monolayer viscosity in Langmuir film hole closure dynamics

L. Jia, M. Shelley

We re-examine the model proposed by Alexander et al. (Phys. Fluids, vol. 18, 2006, 062103) for the closing of a circular hole in a molecularly thin incompressible Langmuir film situated on a Stokesian subfluid. For simplicity their model assumes that the surface phase is inviscid which leads to the result that the cavity area decreases at a constant rate determined by the ratio of edge tension to subfluid viscosity. We reformulate the problem, allowing for a regularising monolayer viscosity. The viscosity-dependent corrections to the hole dynamics are analysed and found to be non-trivial, even when the monolayer viscosity is small; these corrections may explain the departure of experimental data from the theoretical prediction when the hole radius becomes comparable to the Saffman–Delbrück length. Through fitting, under these relaxed assumptions, we find the edge tension could be as much as six times larger ( ∼
4.0 pN) than reported previously.

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