arXiv subjects

D. Saumon

Publications and source records attributed to D. Saumon.

At least 19 recordsLinked to original sources

arXiv2026

Deriving Reliable Nucleation Rates from Metadynamics Simulations: Application to Yukawa Fluids

In order to solidify the usefulness of metadynamics in studying nucleation of crystals from supercooled liquids, we provide a specific procedure to calculate nucleation free energy barriers. After a pedagogical review of the important elements of classical nucleation theory and how metadynamics is used to find nucleation free energy barriers, we explain the benefits of local collective variables over more common global collective variables. We show how a metadynamics free energy barrier must be carefully postprocessed so that classical nucleation theory can be applied to calculate nucleation rates. We apply our procedure to a Yukawa plasma and show that a particular physically-motivated fit to metadynamics data reproduces low-temperature reference data, justifying the usefulness of metadynamics to predict nucleation rates and the nucleation critical temperature.

cond-mat.stat-mech↗

arXiv2025

Crystal nucleation rates in one-component Yukawa systems

Nucleation in the supercooled Yukawa system is relevant for addressing current challenges in understanding a range of crystallizing systems including white dwarf (WD) stars. We use both brute force and seeded molecular dynamics simulations to study homogeneous nucleation of crystals from supercooled Yukawa liquids. With our improved approach to seeded simulations, we obtain quantitative predictions of the crystal nucleation rate and cluster size distributions as a function of temperature and screening length. These quantitative results show trends towards fast nucleation with short-ranged potentials. They also indicate that for temperatures $T > 0.9T_m$, where $T_m$ is the melt temperature, classical homogeneous nucleation is too slow to initiate crystallization but transient clusters of around 100 particles should be common. We apply these general results to a typical WD model and obtain a delay of approximately 0.6 Gyr in the onset of crystallization that may be observable.

physics.plasm-ph↗

arXiv2022

Current challenges in the physics of white dwarf stars

White dwarfs are a class of stars with unique physical properties. They present many challenging problems whose solution requires the application of advanced theories of dense matter, state-of-the-art experimental techniques, and extensive computing efforts. New ground- and space-based observatories will soon provide an increasingly detailed view of white dwarf stars and reveal new phenomena that will challenge our models. This review is an introduction for researchers who are not in the field of white dwarf astrophysics with the intent to entice them to contribute their expertise to advance our knowledge of these exotic stars. We discuss a wide variety of currently unsolved or partially resolved problems that are broadly related to equations of state, transport processes and opacities.

astro-ph.SR↗

arXiv2021

Real-Space Green's functions for Warm Dense Matter

Accurate modeling of the electronic structure of warm dense matter is a challenging problem whose solution would allow a better understanding of material properties like equation of state, opacity, and conductivity, with resulting applications from astrophysics to fusion energy research. Here we explore the real-space Green's function method as a technique for solving the Kohn-Sham density functional theory equations under warm dense matter conditions. We find the method to be tractable and accurate throughout the density and temperature range of interest, in contrast to other approaches. Good agreement on equation of state is found when comparing to other methods, where they are thought to be accurate.

physics.plasm-ph↗

arXiv2020

Gemini Planet Imager Spectroscopy of the Dusty Substellar Companion HD 206893 B

We present new near-infrared Gemini Planet Imager (GPI) spectroscopy of HD 206893 B, a substellar companion orbiting within the debris disk of its F5V star. The $J$, $H$, $K1$, and $K2$ spectra from GPI demonstrate the extraordinarily red colors of the object, confirming it as the reddest substellar object observed to date. The significant flux increase throughout the infrared presents a challenging atmosphere to model with existing grids. Best-fit values vary from 1200 K to 1800 K for effective temperature and from 3.0 to 5.0 for log($g$), depending on which individual wavelength band is fit and which model suite is applied. The extreme redness of the companion can be partially reconciled by invoking a high-altitude layer of sub-micron dust particles, similar to dereddening approaches applied to the peculiar red field L-dwarf population. However, reconciling the HD 206893 B spectra with even those of the reddest low-gravity L-dwarf spectra still requires the contribution of additional atmospheric dust, potentially due to the debris disk environment in which the companion resides. Orbit fitting from four years of astrometric monitoring is consistent with a $\sim$30-year period, orbital inclination of 147$^{\circ}$, and semimajor axis of 10 au, well within the estimated disk inner radius of $\sim$50 au. As one of very few substellar companions imaged interior to a circumstellar disk, the properties of this system offer important dynamical constraints on companion-disk interaction and provide a benchmark for substellar and planetary atmospheric study.

astro-ph.EP↗

arXiv2020

Review of the First Charged-Particle Transport Coefficient Comparison Workshop

We present the results of the first Charged-Particle Transport Coefficient Code Comparison Workshop, which was held in Albuquerque, NM October 4-6, 2016. In this first workshop, scientists from eight institutions and four countries gathered to compare calculations of transport coefficients including thermal and electrical conduction, electron-ion coupling, inter-ion diffusion, ion viscosity, and charged particle stopping powers. Here, we give general background on Coulomb coupling and computational expense, review where some transport coefficients appear in hydrodynamic equations, and present the submitted data. Large variations are found when either the relevant Coulomb coupling parameter is large or computational expense causes difficulties. Understanding the general accuracy and uncertainty associated with such transport coefficients is important for quantifying errors in hydrodynamic simulations of inertial confinement fusion and high-energy density experiments.

physics.plasm-ph↗

arXiv2020

Diffusion coefficients in the envelopes of white dwarfs

The diffusion of elements is a key process in understanding the unusual surface composition of white dwarfs stars and their spectral evolution. The diffusion coefficients of Paquette et al. (1986) have been widely used to model diffusion in white dwarfs. We perform new calculations of the coefficients of inter-diffusion and ionic thermal diffusion with 1) a more advanced model that uses a recent modification of the calculation of the collision integrals that is more suitable for the partially ionized, partially degenerate and moderately coupled plasma, and 2) classical molecular dynamics. The coefficients are evaluated for silicon and calcium in white dwarf envelopes of hydrogen and helium. A comparison of our results with Paquette et al. shows that the latter systematically underestimates the coefficient of inter-diffusion yet provides reliable estimates for the relatively weakly coupled plasmas found in nearly all types of stars as well as in white dwarfs with hydrogen envelopes. In white dwarfs with cool helium envelopes (Teff < 15000K), the difference grows to more than a factor of two. We also explored the effect of the ionization model used to determine the charges of the ions and found that it can be a substantial source of discrepancy between different calculations. Finally, we consider the relative diffusion time scales of Si and Ca in the context of the pollution of white dwarf photospheres by accreted planetesimals and find factor of > 3 differences between calculations based on Paquette et al. and our model.

astro-ph.SR↗

arXiv2020

Model for the electrical conductivity in dense plasma mixtures

A new model for the electrical conductivity of dense plasmas with a mixture of ion species, containing no adjustable parameters, is presented. The model takes the temperature, mass density and relative abundances of the species as input. It takes into account partial ionization, ionic structure, and core-valence orthogonality, and uses quantum mechanical calculations of cross sections. Comparison to an existing high fidelity but computationally expensive method reveals good agreement. The new model is computationally efficient and can reach high temperatures. A new mixing rule is also presented that gives reasonably accurate conductivities for high temperature plasma mixtures.

physics.plasm-ph↗

arXiv2016

Observed Variability at 1um and 4um in the Y0 Brown Dwarf WISEP J173835.52+273258.9

We have monitored photometrically the Y0 brown dwarf WISEP J173835.52+273258.9 (W1738) at both near- and mid-infrared wavelengths. This ~1 Gyr-old 400K dwarf is at a distance of 8pc and has a mass around 5 M_Jupiter. We observed W1738 using two near-infrared filters at lambda~1um, Y and J, on Gemini observatory, and two mid-infrared filters at lambda~4um, [3.6] and [4.5], on the Spitzer observatory. Twenty-four hours were spent on the source by Spitzer on each of June 30 and October 30 2013 UT. Between these observations, around 5 hours were spent on the source by Gemini on each of July 17 and August 23 2013 UT. The mid-infrared light curves show significant evolution between the two observations separated by four months. We find that a double sinusoid can be fit to the [4.5] data, where one sinusoid has a period of 6.0 +/- 0.1 hours and the other a period of 3.0 +/- 0.1 hours. The near-infrared observations suggest variability with a ~3.0 hour period, although only at a <~2 sigma confidence level. We interpret our results as showing that the Y dwarf has a 6.0 +/- 0.1 hour rotation period, with one or more large-scale surface features being the source of variability. The peak-to-peak amplitude of the light curve at [4.5] is 3%. The amplitude of the near-infrared variability, if real, may be as high as 5 to 30%. Intriguingly, this size of variability and the wavelength dependence can be reproduced by atmospheric models that include patchy KCl and Na_2S clouds and associated small changes in surface temperature. The small number of large features, and the timescale for evolution of the features, is very similar to what is seen in the atmospheres of the solar system gas giants.

astro-ph.SR↗

arXiv2016

Near-Infrared Spectroscopy of the Y0 WISEP J173835.52+273258.9 and the Y1 WISE J035000.32-565830.2: the Importance of Non-Equilibrium Chemistry

We present new near-infrared spectra, obtained at Gemini Observatory, for two Y dwarfs: WISE J035000.32-565830.2 (W0350) and WISEP J173835.52+273258.9 (W1738). A FLAMINGOS-2 R=540 spectrum was obtained for W0350, covering 1.0 < lambda um < 1.7, and a cross-dispersed GNIRS R=2800 spectrum was obtained for W1738, covering 0.993-1.087 um, 1.191-1.305 um, 1.589-1.631 um, and 1.985-2.175 um, in four orders. We also present revised YJH photometry for W1738, using new NIRI Y and J imaging, and a re-analysis of the previously published NIRI H band images. We compare these data, together with previously published data for late-T and Y dwarfs, to cloud-free models of solar metallicity, calculated both in chemical equilibrium and with disequilibrium driven by vertical transport. We find that for the Y dwarfs the non-equilibrium models reproduce the near-infrared data better than the equilibrium models. The remaining discrepancies suggest that fine-tuning the CH_4/CO and NH_3/N_2 balance is needed. Improved trigonometric parallaxes would improve the analysis. Despite the uncertainties and discrepancies, the models reproduce the observed near-infrared spectra well. We find that for the Y0, W1738, T_eff = 425 +/- 25 K and log g = 4.0 +/- 0.25, and for the Y1, W0350, T_eff = 350 +/- 25 K and log g = 4.0 +/- 0.25. W1738 may be metal-rich. Based on evolutionary models, these temperatures and gravities correspond to a mass range for both Y dwarfs of 3-9 Jupiter masses, with W0350 being a cooler, slightly older, version of W1738; the age of W0350 is 0.3-3 Gyr, and the age of W1738 is 0.15-1 Gyr.

astro-ph.SR↗

arXiv2015

Discovery and spectroscopy of the young Jovian planet 51 Eri b with the Gemini Planet Imager

Directly detecting thermal emission from young extrasolar planets allows measurement of their atmospheric composition and luminosity, which is influenced by their formation mechanism. Using the Gemini Planet Imager, we discovered a planet orbiting the \$sim$20 Myr-old star 51 Eridani at a projected separation of 13 astronomical units. Near-infrared observations show a spectrum with strong methane and water vapor absorption. Modeling of the spectra and photometry yields a luminosity of L/LS=1.6-4.0 x 10-6 and an effective temperature of 600-750 K. For this age and luminosity, "hot-start" formation models indicate a mass twice that of Jupiter. This planet also has a sufficiently low luminosity to be consistent with the "cold- start" core accretion process that may have formed Jupiter.

astro-ph.EP↗

arXiv2014

Near-infrared photometry of Y dwarfs: low ammonia abundance and the onset of water clouds

We present new near-infrared photometry for seven late-type T dwarfs and nine Y-type dwarfs, and lower limit magnitudes for a tenth Y dwarf, obtained at Gemini Observatory. We also present a reanalysis of H-band imaging data from the Keck Observatory Archive, for an eleventh Y dwarf. These data are combined with earlier MKO-system photometry, Spitzer and WISE mid-infrared photometry, and available trigonometric parallaxes, to create a sample of late-type brown dwarfs which includes ten T9-T9.5 dwarfs or dwarf systems, and sixteen Y dwarfs. We compare the data to our models which include updated H_2 and NH_3 opacity, as well as low-temperature condensate clouds. The models qualitatively reproduce the trends seen in the observed colors, however there are discrepancies of around a factor of two in flux for the Y0-Y1 dwarfs, with T_eff~350-400K. At T_eff~400K, the problems could be addressed by significantly reducing the NH_3 absorption, for example by halving the abundance of NH_3 possibly by vertical mixing. At T_eff~350K, the discrepancy may be resolved by incorporating thick water clouds. The onset of these clouds might occur over a narrow range in T_eff, as indicated by the observed small change in 5um flux over a large change in J-W2 color. Of the known Y dwarfs, the reddest in J-W2 are WISEP J182831.08+265037.8 and WISE J085510.83-071442.5. We interpret the former as a pair of identical 300-350K dwarfs, and the latter as a 250K dwarf. If these objects are ~3 Gyrs old, their masses are ~10 and ~5 Jupiter-masses respectively.

astro-ph.SR↗

arXiv2014

Diffusion coefficients in white dwarfs

Models of diffusion in white dwarfs universally rely on the coefficients calculated by Paquette et al. (1986). We present new calculations of diffusion coefficients based on an advanced microscopic theory of dense plasmas and a numerical simulation approach that intrinsically accounts for multiple collisions. Our method is validated against a state-of-the-art method and we present results for the diffusion of carbon ions in a helium plasma.

astro-ph.SR↗

arXiv2014

An integral equation model for warm and hot dense mixtures

In Starrett and Saumon [Phys. Rev. E 87, 013104 (2013)] a model for the calculation of electronic and ionic structures of warm and hot dense matter was described and validated. In that model the electronic structure of one "atom" in a plasma is determined using a density functional theory based average-atom (AA) model, and the ionic structure is determined by coupling the AA model to integral equations governing the fluid structure. That model was for plasmas with one nuclear species only. Here we extend it to treat plasmas with many nuclear species, i.e. mixtures, and apply it to a carbon-hydrogen mixture relevant to inertial confinement fusion experiments. Comparison of the predicted electronic and ionic structures with orbital-free and Kohn-Sham molecular dynamics simulations reveals excellent agreement wherever chemical bonding is not significant.

physics.plasm-ph↗

arXiv2014

Pseudoatom molecular dynamics

A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new method, which we call pseudoatom molecular dynamics (PAMD), can be applied to single or multi-component plasmas. It gives equation of state and self-diffusion coefficients with an accuracy comparable to ab-initio simulations but is computationally much more efficient.

physics.plasm-ph↗

arXiv2014

Near-UV absorption in very cool DA white dwarfs

The atmospheres of very cool, hydrogen-rich white dwarfs (Teff <6000 K) are challenging to models because of the increased complexity of the equation of state, chemical equilibrium, and opacity sources in a low-temperature, weakly ionized dense gas. In particular, many models that assume relatively simple models for the broadening of atomic levels and mostly ideal gas physics overestimate the flux in the blue part of their spectra. A solution to this problem that has met with some success is that additional opacity at short wavelengths comes for the extreme broadening of the Lyman alpha line of atomic H by collisions primarily with H2. For the purpose of validating this model more rigorously, we acquired Hubble Space Telescope STIS spectra of 8 very cool white dwarfs (5 DA and 3 DC stars). Combined with their known parallaxes, BVRIJHK and Spitzer IRAC photometry, we analyze their entire spectral energy distribution (from 0.24 to 9.3 micron) with a large grid of model atmospheres and synthetic spectra. We find that the red wing of the Lyman alpha line reproduces the rapidly decreasing near-UV flux of these very cool stars very well. We determine better constrained values of Teff and gravity as well as upper limits to the helium abundance in their atmospheres.

astro-ph.SR↗

arXiv2013

The structure of warm dense matter modeled with an average atom model with ion-ion correlations

We present a new model of warm dense matter that represents an intermediate approach between the relative simplicity of ''one-ion'' average atom models and the more realistic but computationally expensive ab initio simulation methods. Physical realism is achieved primarily by including the correlations in the plasma that surrounds a central ion. The plasma is described with the Ornstein-Zernike integral equations theory of fluids, which is coupled to an average atom model for the central ion. In this contribution we emphasize the key elements and approximations and how they relate to and expand upon a typical average atom model. Besides being relatively inexpensive computationally, this approach offers several advantages over ab initio simulations but also has a number of limitations. The model is validated by comparisons with numerical solutions for the pair distribution function of the ions from ab initio simulations for several elements and a wide range of plasma conditions. Simulations results are reproduced remarkably well and simpler limiting theories are recovered as well. This model has many potential applications to calculation of the properties of warm dense matter such as the equation of state and conductivities for a wide range of temperatures and densities.

physics.plasm-ph↗

arXiv2013

Resolved Spectroscopy of the T8.5 and Y0-0.5 Binary WISEPC J121756.91+162640.2AB

We present 0.9 - 2.5 um resolved spectra for the ultracool binary WISEPC J121756.91+162640.2AB. The system consists of a pair of brown dwarfs that straddles the currently defined T/Y spectral type boundary. We use synthetic spectra generated by model atmospheres that include chloride and sulfide clouds (Morley et al.), the distance to the system (Dupuy & Kraus), and the radius of each component based on evolutionary models (Saumon & Marley) to determine a probable range of physical properties for the binary. The effective temperature of the T8.5 primary is 550 - 600 K, and that of the Y0 - Y0.5 secondary is 450 K. The atmospheres of both components are either free of clouds or have extremely thin cloud layers. We find that the masses of the primary and secondary are 30 and 22 M_Jup, respectively, and that the age of the system is 4 - 8 Gyr. This age is consistent with astrometric measurements (Dupuy & Kraus) that show that the system has kinematics intermediate between those of the thin and thick disks of the Galaxy. An older age is also consistent with an indication by the H - K colors that the system is slightly metal-poor.

astro-ph.SR↗