Planet formation: The case for large efforts on the computational side

Modern astronomy has finally been able to observe protoplanetary disks in reasonable resolution and detail, unveiling the processes happening during planet formation. These observed processes are understood under the framework of disk-planet interaction, a process studied analytically and modeled numerically for over 40 years. Long a theoreticians' game, the wealth of observational data has been allowing for increasingly stringent tests of the theoretical models. Modeling efforts are crucial to support the interpretation of direct imaging analyses, not just for potential detections but also to put meaningful upper limits on mass accretion rates and other physical quantities in current and future large-scale surveys. This white paper addresses the questions of what efforts on the computational side are required in the next decade to advance our theoretical understanding, explain the observational data, and guide new observations. We identified the nature of accretion, ab initio planet formation, early evolution, and circumplanetary disks as major fields of interest in computational planet formation. We recommend that modelers relax the approximations of alpha-viscosity and isothermal equations of state, on the grounds that these models use flawed assumptions, even if they give good visual qualitative agreement with observations. We similarly recommend that population synthesis move away from 1D hydrodynamics. The computational resources to reach these goals should be developed during the next decade, through improvements in algorithms and the hardware for hybrid CPU/GPU clusters. Coupled with high angular resolution and great line sensitivity in ground based interferometers, ELTs and JWST, these advances in computational efforts should allow for large strides in the field in the next decade.Comment: White paper submitted to the Astro2020 decadal surve

High-yield single-step catalytic growth of graphene nanostripes by plasma enhanced chemical vapor deposition

We report a single-step growth process of graphene nanostripes (GNSPs) by adding certain substituted aromatics (e.g., 1,2-dichlorobenzene) as precursors during the plasma enhanced chemical vapor deposition (PECVD). Without any active heating and by using low plasma power (≤60 W), we are able to grow GNSPs vertically with high yields up to (13 ± 4) g/m^2 in 20 min. These GNSPs exhibit high aspect ratios (from 10:1 to >∼130:1) and typical widths from tens to hundreds of nanometers on various transition-metal substrates. The morphology, electronic properties and yields of the GNSPs can be controlled by the growth parameters (e.g., the species of seeding molecules, compositions and flow rates of the gases introduced into the plasma, plasma power, and the growth time). Studies of the Raman spectra, scanning electron microscopy images, ultraviolet photoelectron spectroscopy, transmission electron microscopy images, energy-dispersive x-ray spectroscopy and electrical conductivity of these GNSPs as functions of the growth parameters confirm high-quality GNSPs with electrical mobility ∼10^4 cm^2/V-s. These results together with residual gas analyzer spectra and optical emission spectroscopy taken during PECVD growth suggest the important roles of both substituted aromatics and hydrogen plasma in the rapid vertical growth of GNSPs with large aspect ratios

High-yield single-step catalytic growth of graphene nanostripes by plasma enhanced chemical vapor deposition

We report a single-step growth process of graphene nanostripes (GNSPs) by adding certain substituted aromatics (e.g., 1,2-dichlorobenzene) as precursors during the plasma enhanced chemical vapor deposition (PECVD). Without any active heating and by using low plasma power (≤60 W), we are able to grow GNSPs vertically with high yields up to (13 ± 4) g/m^2 in 20 min. These GNSPs exhibit high aspect ratios (from 10:1 to >∼130:1) and typical widths from tens to hundreds of nanometers on various transition-metal substrates. The morphology, electronic properties and yields of the GNSPs can be controlled by the growth parameters (e.g., the species of seeding molecules, compositions and flow rates of the gases introduced into the plasma, plasma power, and the growth time). Studies of the Raman spectra, scanning electron microscopy images, ultraviolet photoelectron spectroscopy, transmission electron microscopy images, energy-dispersive x-ray spectroscopy and electrical conductivity of these GNSPs as functions of the growth parameters confirm high-quality GNSPs with electrical mobility ∼10^4 cm^2/V-s. These results together with residual gas analyzer spectra and optical emission spectroscopy taken during PECVD growth suggest the important roles of both substituted aromatics and hydrogen plasma in the rapid vertical growth of GNSPs with large aspect ratios

Visualizing the Kinematics of Planet Formation

A stunning range of substructures in the dust of protoplanetary disks is routinely observed across a range of wavelengths. These gaps, rings and spirals are highly indicative of a population of unseen planets, hinting at the possibility of current observational facilities being able to capture planet-formation in action. Over the last decade, our understanding of the influence of a young planet on the dynamical structure of its parental disk has progressed significantly, revealing a host of potentially observable features which would betray the presence of a deeply embedded planet. In concert, recent observations have shown that subtle perturbations in the kinematic structure of protoplanetary disks are found in multiple sources, potentially the characteristic disturbances associated with embedded planets. In this work, we review the theoretical background of planet-disk interactions, focusing on the kinematical features, and the current methodologies used to observe these interactions in spatially and spectrally resolved observations. We discuss the potential pit falls of such kinematical detections of planets, providing best-practices for imaging and analysing interferometric data, along with a set of criteria to use as a benchmark for any claimed detection of embedded planets. We finish with a discussion on the current state of simulations in regard to planet-disk interactions, highlighting areas of particular interest and future directions which will provide the most significant impact in our search for embedded planets. This work is the culmination of the 'Visualizing the Kinematics of Planet Formation' workshop, held in October 2019 at the Center for Computational Astrophysics at the Flatiron Institute in New York City.Comment: To be submitted to PASA. Comments welcom

A tree-parenchyma coupled model for lung ventilation simulation

International audienceIn this article we develop a lung-ventilation model. The parenchyma is described as an elastic homogenized media. It is irrigated by a space-filling dyadic resistive pipe network, which represents the tracheo-bronchial tree. In this model the tree and the parenchyma are strongly coupled. The tree induces an extra viscous term in the system constitutive relation, which leads, in the finite element framework, to a full matrix. We consider an efficient algorithm that takes advantage of the tree dyadic structure to enable a fast matrix-vector product computation. This framework can be used to model both free and mechanically induced respiration, in health and disease. Patient-specific lung geometries acquired from CT scans are considered. Realistic Dirichlet boundary conditions can be deduced from surface registration on CT images. The model is compared to a more classical exit-compartment approach. Results illustrate the coupling between the tree and the parenchyma, at global and regional levels, and how conditions for the purely 0D model can be inferred. Different types of boundary conditions are tested, including a nonlinear Robin model of the surrounding lung structures

Molecular dynamics simulations and drug discovery

This review discusses the many roles atomistic computer simulations of macromolecular (for example, protein) receptors and their associated small-molecule ligands can play in drug discovery, including the identification of cryptic or allosteric binding sites, the enhancement of traditional virtual-screening methodologies, and the direct prediction of small-molecule binding energies. The limitations of current simulation methodologies, including the high computational costs and approximations of molecular forces required, are also discussed. With constant improvements in both computer power and algorithm design, the future of computer-aided drug design is promising; molecular dynamics simulations are likely to play an increasingly important role

The James Webb Space Telescope Mission

Twenty-six years ago a small committee report, building on earlier studies, expounded a compelling and poetic vision for the future of astronomy, calling for an infrared-optimized space telescope with an aperture of at least $4m$. With the support of their governments in the US, Europe, and Canada, 20,000 people realized that vision as the $6.5m$ James Webb Space Telescope. A generation of astronomers will celebrate their accomplishments for the life of the mission, potentially as long as 20 years, and beyond. This report and the scientific discoveries that follow are extended thank-you notes to the 20,000 team members. The telescope is working perfectly, with much better image quality than expected. In this and accompanying papers, we give a brief history, describe the observatory, outline its objectives and current observing program, and discuss the inventions and people who made it possible. We cite detailed reports on the design and the measured performance on orbit.Comment: Accepted by PASP for the special issue on The James Webb Space Telescope Overview, 29 pages, 4 figure

Measurement of the top quark forward-backward production asymmetry and the anomalous chromoelectric and chromomagnetic moments in pp collisions at √s = 13 TeV

Abstract The parton-level top quark (t) forward-backward asymmetry and the anomalous chromoelectric (d̂ t) and chromomagnetic (μ̂ t) moments have been measured using LHC pp collisions at a center-of-mass energy of 13 TeV, collected in the CMS detector in a data sample corresponding to an integrated luminosity of 35.9 fb−1. The linearized variable AFB(1) is used to approximate the asymmetry. Candidate t t ¯ events decaying to a muon or electron and jets in final states with low and high Lorentz boosts are selected and reconstructed using a fit of the kinematic distributions of the decay products to those expected for t t ¯ final states. The values found for the parameters are AFB(1)=0.048−0.087+0.095(stat)−0.029+0.020(syst),μ̂t=−0.024−0.009+0.013(stat)−0.011+0.016(syst), and a limit is placed on the magnitude of | d̂ t| < 0.03 at 95% confidence level. [Figure not available: see fulltext.