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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Multiscale modeling of solute diffusion in triblock copolymer membranes

We develop a multiscale simulation model for diffusion of solutes through porous triblock copolymer membranes. The approach combines two techniques: self-consistent field theory (SCFT) to predict the structure of the self-assembled, solvated membrane and on-lattice kinetic Monte Carlo (kMC) simulations to model diffusion of solutes. Solvation is simulated in SCFT by constraining the glassy membrane matrix while relaxing the brush-like membrane pore coating against the solvent. The kMC simulations capture the resulting solute spatial distribution and concentration-dependent local diffusivity in the polymer-coated pores; we parameterize the latter using particle-based simulations. We apply our approach to simulate solute diffusion through nonequilibrium morphologies of a model triblock copolymer, and we correlate diffusivity with structural descriptors of the morphologies. We also compare the model’s predictions to alternative approaches based on simple lattice random walks and find our multiscale model to be more robust and systematic to parameterize. Furthermore, our multiscale modeling approach is general and can be readily extended in the future to other chemistries, morphologies, and models for the local solute diffusivity and interactions with the membrane.

36 MATERIALS SCIENCE↗
DOE OSTI2023

AL4GAP: Active learning workflow for generating DFT-SCAN accurate machine-learning potentials for combinatorial molten salt mixtures

Machine learning interatomic potentials have emerged as a powerful tool for bypassing the spatiotemporal limitations of ab initio simulations, but major challenges remain in their efficient parameterization. We present AL4GAP, an ensemble active learning software workflow for generating multicomposition Gaussian approximation potentials (GAP) for arbitrary molten salt mixtures. The workflow capabilities include: (1) setting up user-defined combinatorial chemical spaces of charge neutral mixtures of arbitrary molten mixtures spanning 11 cations (Li, Na, K, Rb, Cs, Mg, Ca, Sr, Ba and two heavy species, Nd, and Th) and 4 anions (F, Cl, Br, and I), (2) configurational sampling using low-cost empirical parameterizations, (3) active learning for down-selecting configurational samples for single point density functional theory calculations at the level of Strongly Constrained and Appropriately Normed (SCAN) exchange-correlation functional, and (4) Bayesian optimization for hyperparameter tuning of two-body and many-body GAP models. Here, we apply the AL4GAP workflow to showcase high throughput generation of five independent GAP models for multicomposition binary-mixture melts, each of increasing complexity with respect to charge valency and electronic structure, namely: LiCl–KCl, NaCl–CaCl 2 , KCl–NdCl 3 , CaCl 2 –NdCl 3 , and KCl–ThCl 4 . Our results indicate that GAP models can accurately predict structure for diverse molten salt mixture with density functional theory (DFT)-SCAN accuracy, capturing the intermediate range ordering characteristic of the multivalent cationic melts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Grad–Shafranov equilibria via data-free physics informed neural networks

A large number of magnetohydrodynamic (MHD) equilibrium calculations are often required for uncertainty quantification, optimization, and real-time diagnostic information, making MHD equilibrium codes vital to the field of plasma physics. In this paper, we explore a method for solving the Grad–Shafranov equation by using physics-informed neural networks (PINNs). For PINNs, we optimize neural networks by directly minimizing the residual of the partial differential equation as a loss function. We show that PINNs can accurately and effectively solve the Grad–Shafranov equation with several different boundary conditions, making it more flexible than traditional solvers. This method is flexible as it does not require any mesh and basis choice, thereby streamlining the computational process. We also explore the parameter space by varying the size of the model, the learning rate, and boundary conditions to map various tradeoffs such as between reconstruction error and computational speed. Additionally, we introduce a parameterized PINN framework, expanding the input space to include variables such as pressure, aspect ratio, elongation, and triangularity in order to handle a broader range of plasma scenarios within a single network. Parameterized PINNs could be used in future work to solve inverse problems such as shape optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Fog and rain in the Amazon

Significance We here demonstrate that we can resolve the seasonality of the hydrologic cycle in the Amazon using an approach, opposite to general circulation models, in which we resolve convection and parameterize large-scale circulation as a function of the resolved convection. The results emphasize the key role of cloud albedo feedback and, in particular, of the morning fog layer in determining the diurnal course of surface heat fluxes and seasonality of the surface and atmospheric heat and water cycles. These results indicate that our understanding of tropical climates over land can be considerably advanced by using coupled land−atmosphere models with explicit convection and parameterized large-scale dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Atomistic measurement and modeling of intrinsic fracture toughness of two-dimensional materials

Quantifying the intrinsic mechanical properties of two-dimensional (2D) materials is essential to predict the long-term reliability of materials and systems in emerging applications ranging from energy to health to next-generation sensors and electronics. Currently, measurements of fracture toughness and identification of associated atomistic mechanisms remain challenging. Herein, we report an integrated experimental–computational framework in which in-situ high-resolution transmission electron microscopy (HRTEM) measurements of the intrinsic fracture energy of monolayer MoS 2 and MoSe 2 are in good agreement with atomistic model predictions based on an accurately parameterized interatomic potential. Changes in crystalline structures at the crack tip and crack edges, as observed in in-situ HRTEM crack extension tests, are properly predicted. Such a good agreement is the result of including large deformation pathways and phase transitions in the parameterization of the inter-atomic potential. The established framework emerges as a robust approach to determine the predictive capabilities of molecular dynamics models employed in the screening of 2D materials, in the spirit of the materials genome initiative. Moreover, it enables device-level predictions with superior accuracy (e.g., fatigue lifetime predictions of electro- and opto-electronic nanodevices).

Zhang, Xu↗
DOE OSTI2014

Overstable librations can account for the paucity of mean motion resonances among exoplanet pairs

We assess the multi-planet systems discovered by the Kepler satellite in terms of current ideas about orbital migration and eccentricity damping due to planet-disk interactions. Our primary focus is on first order mean motion resonances, which we investigate analytically to lowest order in eccentricity. Only a few percent of planet pairs are in close proximity to a resonance. However, predicted migration rates (parameterized by τ{sub n}=n/| n-dot |) imply that during convergent migration most planets would have been captured into first order resonances. Eccentricity damping (parameterized by τ{sub e}=e/| e-dot |) offers a plausible resolution. Estimates suggest τ {sub e}/τ {sub n} ∼ (h/a){sup 2} ∼ 10{sup –2}, where h/a is the ratio of disk thickness to radius. Together, eccentricity damping and orbital migration give rise to an equilibrium eccentricity, e {sub eq} ∼ (τ {sub e}/τ {sub n}){sup 1/2}. Capture is permanent provided e {sub eq} ≲ μ{sup 1/3}, where μ denotes the planet to star mass ratio. But for e {sub eq} ≳ μ{sup 1/3}, capture is only temporary because librations around equilibrium are overstable and lead to passage through resonance on timescale τ {sub e}. Most Kepler planet pairs have e {sub eq} > μ{sup 1/3}. Since τ {sub n} >> τ {sub e} is the timescale for migration between neighboring resonances, only a modest percentage of pairs end up trapped in resonances after the disk disappears. Thus the paucity of resonances among Kepler pairs should not be taken as evidence for in situ planet formation or the disruptive effects of disk turbulence. Planet pairs close to a mean motion resonance typically exhibit period ratios 1%-2% larger than those for exact resonance. The direction of this shift undoubtedly reflects the same asymmetry that requires convergent migration for resonance capture. Permanent resonance capture at these separations from exact resonance would demand μ(τ {sub n}/τ {sub e}){sup 1/2} ≳ 0.01, a value that estimates of μ from transit data and (τ {sub e}/τ {sub n}){sup 1/2} from theory are insufficient to match. Plausible alternatives involve eccentricity damping during or after disk dispersal. The overstability referred to above has applications beyond those considered in this investigation. It was discovered numerically by Meyer and Wisdom in their study of the tidal evolution of Saturn's satellites.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

MULTIWAVELENGTH OBSERVATIONS OF THE PREVIOUSLY UNIDENTIFIED BLAZAR RX J0648.7+1516

We report on the VERITAS discovery of very high energy (VHE) gamma-ray emission above 200 GeV from the high-frequency-peaked BL Lac (HBL) object RX J0648.7+1516 (GB J0648+1516), associated with 1FGL J0648.8+1516. The photon spectrum above 200 GeV is fitted by a power law dN/dE = F{sub 0}(E/E{sub 0}){sup -{Gamma}} with a photon index {Gamma} of 4.4 {+-} 0.8{sub stat} {+-} 0.3{sub syst} and a flux normalization F{sub 0} of (2.3 {+-} 0.5{sub stat} {+-} 1.2{sub sys}) Multiplication-Sign 10{sup -11} TeV{sup -1} cm{sup -2} s{sup -1} with E{sub 0} = 300 GeV. No VHE variability is detected during VERITAS observations of RX J0648.7+1516 between 2010 March 4 and April 15. Following the VHE discovery, the optical identification and spectroscopic redshift were obtained using the Shane 3 m Telescope at the Lick Observatory, showing the unidentified object to be a BL Lac type with a redshift of z = 0.179. Broadband multiwavelength observations contemporaneous with the VERITAS exposure period can be used to subclassify the blazar as an HBL object, including data from the MDM observatory, Swift-UVOT, and X-Ray Telescope, and continuous monitoring at photon energies above 1 GeV from the Fermi Large Area Telescope (LAT). We find that in the absence of undetected, high-energy rapid variability, the one-zone synchrotron self-Compton (SSC) model overproduces the high-energy gamma-ray emission measured by the Fermi-LAT over 2.3 years. The spectral energy distribution can be parameterized satisfactorily with an external-Compton or lepto-hadronic model, which have two and six additional free parameters, respectively, compared to the one-zone SSC model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

ON THE FORMATION OF DOUBLE WHITE DWARFS THROUGH STABLE MASS TRANSFER AND A COMMON ENVELOPE

Although several dozen double white dwarfs (DWDs) have been observed, for many the exact nature of the evolutionary channel(s) by which they form remains uncertain. The canonical explanation calls for the progenitor binary system to undergo two subsequent mass-transfer events, both of which are unstable and lead to a common envelope (CE). However, it has been shown that if both CE events obey the standard {alpha}{sub CE}-prescription (parameterizing energy loss), it is not possible to reproduce all of the observed systems. The {gamma}-prescription was proposed as an alternative to this description, instead parameterizing the fraction of angular momentum carried away in dynamical-timescale mass loss. However, this too has proven problematic, and does not provide a clear physical mechanism. In this paper, we consider in detail the first episode of mass transfer in binary systems with initially low companion masses, with a primary mass in the range 1.0-1.3 M{sub Sun} and an initial mass ratio between the secondary and primary stars of 0.83-0.92. In these systems, the first episode of dramatic mass loss may be stable, non-conservative mass transfer. This strips the donor's envelope and dramatically raises the mass ratio; the considered progenitor binary systems can then evolve into DWDs after passing through a single CE during the second episode of mass loss. We find that such a mechanism reproduces the properties of the observed DWD systems which have an older component with M {approx}< 0.46 M{sub Sun} and mass ratios between the younger and older WDs of q {>=} 1.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

THE HUBBLE SPACE TELESCOPE CLUSTER SUPERNOVA SURVEY. II. THE TYPE Ia SUPERNOVA RATE IN HIGH-REDSHIFT GALAXY CLUSTERS

We report a measurement of the Type Ia supernova (SN Ia) rate in galaxy clusters at 0.9 < z < 1.46 from the Hubble Space Telescope Cluster Supernova Survey. This is the first cluster SN Ia rate measurement with detected z > 0.9 SNe. Finding 8 {+-} 1 cluster SNe Ia, we determine an SN Ia rate of 0.50{sup +0.23}{sub -0.19} (stat){sup +0.10}{sub -0.09} (sys) h{sup 2}{sub 70} SNuB (SNuB {identical_to} 10{sup -12} SNe L{sup -1}{sub Sun ,B} yr{sup -1}). In units of stellar mass, this translates to 0.36{sup +0.16}{sub -0.13} (stat){sup +0.07}{sub -0.06} (sys) h{sup 2}{sub 70} SNuM (SNuM {identical_to} 10{sup -12} SNe M{sup -1}{sub Sun} yr{sup -1}). This represents a factor of Almost-Equal-To 5 {+-} 2 increase over measurements of the cluster rate at z < 0.2. We parameterize the late-time SN Ia delay time distribution (DTD) with a power law: {Psi}(t){proportional_to}t{sup s} . Under the approximation of a single-burst cluster formation redshift of z{sub f} = 3, our rate measurement in combination with lower-redshift cluster SN Ia rates constrains s = -1.41{sup +0.47}{sub -0.40}, consistent with measurements of the DTD in the field. This measurement is generally consistent with expectations for the 'double degenerate' scenario and inconsistent with some models for the 'single degenerate' scenario predicting a steeper DTD at large delay times. We check for environmental dependence and the influence of younger stellar populations by calculating the rate specifically in cluster red-sequence galaxies and in morphologically early-type galaxies, finding results similar to the full cluster rate. Finally, the upper limit of one hostless cluster SN Ia detected in the survey implies that the fraction of stars in the intra-cluster medium is less than 0.47 (95% confidence), consistent with measurements at lower redshifts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

MORPHOLOGY OF GALAXY CLUSTERS: A COSMOLOGICAL MODEL-INDEPENDENT TEST OF THE COSMIC DISTANCE-DUALITY RELATION

Aiming at comparing different morphological models of galaxy clusters, we use two new methods to make a cosmological model-independent test of the distance-duality (DD) relation. The luminosity distances come from the Union2 compilation of Supernovae Type Ia. The angular diameter distances are given by two cluster models (De Filippis et al. and Bonamente et al.). The advantage of our methods is that they can reduce statistical errors. Concerning the morphological hypotheses for cluster models, it is mainly focused on the comparison between the elliptical {beta}-model and spherical {beta}-model. The spherical {beta}-model is divided into two groups in terms of different reduction methods of angular diameter distances, i.e., the conservative spherical {beta}-model and corrected spherical {beta}-model. Our results show that the DD relation is consistent with the elliptical {beta}-model at 1{sigma} confidence level (CL) for both methods, whereas for almost all spherical {beta}-model parameterizations, the DD relation can only be accommodated at 3{sigma} CL, particularly for the conservative spherical {beta}-model. In order to minimize systematic uncertainties, we also apply the test to the overlap sample, i.e., the same set of clusters modeled by both De Filippis et al. and Bonamente et al. It is found that the DD relation is compatible with the elliptically modeled overlap sample at 1{sigma} CL; however, for most of the parameterizations the DD relation cannot be accommodated even at 3{sigma} CL for any of the two spherical {beta}-models. Therefore, it is reasonable that the marked triaxial ellipsoidal model is a better geometrical hypothesis describing the structure of the galaxy cluster compared with the spherical {beta}-model if the DD relation is valid in cosmological observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

THE INFLUENCE OF PRESSURE-DEPENDENT VISCOSITY ON THE THERMAL EVOLUTION OF SUPER-EARTHS

We study the thermal evolution of super-Earths with a one-dimensional (1D) parameterized convection model that has been adopted to account for a strong pressure dependence of the viscosity. A comparison with a 2D spherical convection model shows that the derived parameterization satisfactorily represents the main characteristics of the thermal evolution of massive rocky planets. We find that the pressure dependence of the viscosity strongly influences the thermal evolution of super-Earths-resulting in a highly sluggish convection regime in the lower mantles of those planets. Depending on the effective activation volume and for cooler initial conditions, we observe with growing planetary mass even the formation of a conductive lid above the core-mantle boundary (CMB), a so-called CMB-lid. For initially molten planets our results suggest no CMB-lids but instead a hot lower mantle and core as well as sluggish lower mantle convection. This implies that the initial interior temperatures, especially in the lower mantle, become crucial for the thermal evolution-the thermostat effect suggested to regulate the interior temperatures in terrestrial planets does not work for massive planets if the viscosity is strongly pressure dependent. The sluggish convection and the potential formation of the CMB-lid reduce the convective vigor throughout the mantle, thereby affecting convective stresses, lithospheric thicknesses, and heat fluxes. The pressure dependence of the viscosity may therefore also strongly affect the propensity of plate tectonics, volcanic activity, and the generation of a magnetic field of super-Earths.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

NEW EQUATIONS OF STATE IN SIMULATIONS OF CORE-COLLAPSE SUPERNOVAE

We discuss three new equations of state (EOS) in core-collapse supernova simulations. The new EOS are based on the nuclear statistical equilibrium model of Hempel and Schaffner-Bielich (HS), which includes excluded volume effects and relativistic mean-field (RMF) interactions. We consider the RMF parameterizations TM1, TMA, and FSUgold. These EOS are implemented into our spherically symmetric core-collapse supernova model, which is based on general relativistic radiation hydrodynamics and three-flavor Boltzmann neutrino transport. The results obtained for the new EOS are compared with the widely used EOS of H. Shen et al. and Lattimer and Swesty. The systematic comparison shows that the model description of inhomogeneous nuclear matter is as important as the parameterization of the nuclear interactions for the supernova dynamics and the neutrino signal. Furthermore, several new aspects of nuclear physics are investigated: the HS EOS contains distributions of nuclei, including nuclear shell effects. The appearance of light nuclei, e.g., deuterium and tritium, is also explored, which can become as abundant as alphas and free protons. In addition, we investigate the black hole formation in failed core-collapse supernovae, which is mainly determined by the high-density EOS. We find that temperature effects lead to a systematically faster collapse for the non-relativistic LS EOS in comparison with the RMF EOS. We deduce a new correlation for the time until black hole formation, which allows the determination of the maximum mass of proto-neutron stars, if the neutrino signal from such a failed supernova would be measured in the future. This would give a constraint for the nuclear EOS at finite entropy, complementary to observations of cold neutron stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

HYBRID STARS IN THE LIGHT OF THE MASSIVE PULSAR PSR J1614-2230

We perform a systematic study of hybrid star configurations using several parameterizations of a relativistic mean-field hadronic equation of state (EoS) and the Nambu-Jona-Lasinio (NJL) model for three-flavor quark matter. For the hadronic phase we use the stiff GM1 and TM1 parameterizations, as well as the very stiff NL3 model. In the NJL Lagrangian we include scalar, vector, and 't Hooft interactions. The vector coupling constant g{sub v} is treated as a free parameter. We also consider that there is a split between the deconfinement and the chiral phase transitions which is controlled by changing the conventional value of the vacuum pressure -{Omega}{sub 0} in the NJL thermodynamic potential by -({Omega}{sub 0} + {delta}{Omega}{sub 0}), with {delta}{Omega}{sub 0} a free parameter. We find that, as we increase the value of {delta}{Omega}{sub 0}, hybrid stars have a larger maximum mass but are less stable, i.e., hybrid configurations are stable within a smaller range of central densities. For large enough {delta}{Omega}{sub 0}, stable hybrid configurations are not possible at all. The effect of increasing the coupling constant g{sub v} is very similar. We show that stable hybrid configurations with a maximum mass larger than the observed mass of the pulsar PSR J1614-2230 are possible for a large region of the parameter space of g{sub v} and {delta}{Omega}{sub 0} provided the hadronic EoS contains nucleons only. When the baryon octet is included in the hadronic phase, only a very small region of the parameter space allows an explanation of the mass of PSR J1614-2230. We compare our results with previous calculations of hybrid stars within the NJL model. We show that it is possible to obtain stable hybrid configurations also in the case {delta}{Omega}{sub 0} = 0 that corresponds to the conventional NJL model for which the pressure and density vanish at zero temperature and chemical potential.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

ESTIMATING THE PROPERTIES OF HARD X-RAY SOLAR FLARES BY CONSTRAINING MODEL PARAMETERS

We wish to better constrain the properties of solar flares by exploring how parameterized models of solar flares interact with uncertainty estimation methods. We compare four different methods of calculating uncertainty estimates in fitting parameterized models to Ramaty High Energy Solar Spectroscopic Imager X-ray spectra, considering only statistical sources of error. Three of the four methods are based on estimating the scale-size of the minimum in a hypersurface formed by the weighted sum of the squares of the differences between the model fit and the data as a function of the fit parameters, and are implemented as commonly practiced. The fourth method is also based on the difference between the data and the model, but instead uses Bayesian data analysis and Markov chain Monte Carlo (MCMC) techniques to calculate an uncertainty estimate. Two flare spectra are modeled: one from the Geostationary Operational Environmental Satellite X1.3 class flare of 2005 January 19, and the other from the X4.8 flare of 2002 July 23. We find that the four methods give approximately the same uncertainty estimates for the 2005 January 19 spectral fit parameters, but lead to very different uncertainty estimates for the 2002 July 23 spectral fit. This is because each method implements different analyses of the hypersurface, yielding method-dependent results that can differ greatly depending on the shape of the hypersurface. The hypersurface arising from the 2005 January 19 analysis is consistent with a normal distribution; therefore, the assumptions behind the three non-Bayesian uncertainty estimation methods are satisfied and similar estimates are found. The 2002 July 23 analysis shows that the hypersurface is not consistent with a normal distribution, indicating that the assumptions behind the three non-Bayesian uncertainty estimation methods are not satisfied, leading to differing estimates of the uncertainty. We find that the shape of the hypersurface is crucial in understanding the output from each uncertainty estimation technique, and that a crucial factor determining the shape of hypersurface is the location of the low-energy cutoff relative to energies where the thermal emission dominates. The Bayesian/MCMC approach also allows us to provide detailed information on probable values of the low-energy cutoff, E{sub c} , a crucial parameter in defining the energy content of the flare-accelerated electrons. We show that for the 2002 July 23 flare data, there is a 95% probability that E{sub c} lies below approximately 40 keV, and a 68% probability that it lies in the range 7-36 keV. Further, the low-energy cutoff is more likely to be in the range 25-35 keV than in any other 10 keV wide energy range. The low-energy cutoff for the 2005 January 19 flare is more tightly constrained to 107 {+-} 4 keV with 68% probability. Using the Bayesian/MCMC approach, we also estimate for the first time probability density functions for the total number of flare-accelerated electrons and the energy they carry for each flare studied. For the 2002 July 23 event, these probability density functions are asymmetric with long tails orders of magnitude higher than the most probable value, caused by the poorly constrained value of the low-energy cutoff. The most probable electron power is estimated at 10{sup 28.1} erg s{sup -1}, with a 68% credible interval estimated at 10{sup 28.1}-10{sup 29.0} erg s{sup -1}, and a 95% credible interval estimated at 10{sup 28.0}-10{sup 30.2} erg s{sup -1}. For the 2005 January 19 flare spectrum, the probability density functions for the total number of flare-accelerated electrons and their energy are much more symmetric and narrow: the most probable electron power is estimated at 10{sup 27.66{+-}0.01} erg s{sup -1} (68% credible intervals). However, in this case the uncertainty due to systematic sources of error is estimated to dominate the uncertainty due to statistical sources of error.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Fully coupled simulation of cosmic reionization. II. Recombinations, clumping factors, and the photon budget for reionization

We use a fully coupled cosmological simulation including dark matter dynamics, multispecies hydrodynamics, nonequilibrium chemical ionization, flux-limited diffusion radiation transport, and a parameterized model of star formation and feedback (thermal and radiative) to investigate the epoch of hydrogen reionization in detail. In this paper, the first of several application papers, we investigate the mechanics of reionization from stellar sources forming in high-z galaxies, the utility of various formulations for the gas clumping factor on accurately estimating the effective recombination time in the intergalactic medium (IGM), and the photon budget required to achieve reionization. We also test the accuracy of the static and time-dependent models of Madau et al. as predictors of reionization completion/maintenance. We simulate a WMAP7 ΛCDM cosmological model in a 20 comoving Mpc cube, resolved with 800{sup 3} uniform fluid cells and dark matter particles. By tuning our star formation recipe to approximately match the observed high-redshift star formation rate density and galaxy luminosity function, we have created a fully coupled radiation hydrodynamical realization of hydrogen reionization, which begins to ionize at z ≈ 10 and is completed at z ≈ 5.8 without further tuning. We find that roughly two ionizing photons per H atom are required to convert the neutral IGM to a highly ionized state. After reionization concludes, we find that the quantity n-dot{sub ion}×(1 Gyr)/n{sub H} is ∼9 at z = 5, in rough agreement with measurements of the ionizing emissivity by Becker and Bolton. The complicated events during reionization that lead to this number can be generally described as inside-out, but in reality, the narrative depends on the level of ionization of the gas one attributes as being ionized. We find that the formula for the ionizing photon production rate needed to maintain the IGM in an ionized state derived by Madau et al. should not be used to predict the epoch of reionization completion because it ignores history-dependent terms in the global ionization balance which are not ignorable. We find that the time-dependent model for the ionized volume fraction Q{sub HII} is more predictive, but overestimates the redshift of reionization completion z{sub reion} by Δz ≈ 1. We propose a revised formulation of the time-dependent model that agrees with our simulation to a few percent accuracy. Finally, we use our simulation data to measure the absorption of ionizing radiation due to circumgalactic gas resolved on our mesh and find f-bar{sub esc}(CGM)≈0.7.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

NEW CALCULATION OF ANTIPROTON PRODUCTION BY COSMIC RAY PROTONS AND NUCLEI

A dramatic increase in the accuracy and statistics of space-borne cosmic ray (CR) measurements has yielded several breakthroughs over the last several years. The most puzzling is the rise in the positron fraction above ∼10 GeV over the predictions of the propagation models assuming pure secondary production. The accuracy of the antiproton production cross section is critical for astrophysical applications and searches for new physics since antiprotons in CRs seem to hold the keys to many puzzles including the origin of those excess positrons. However, model calculations of antiproton production in CR interactions with interstellar gas are often employing parameterizations that are out of date or are using outdated physical concepts. This may lead to an incorrect interpretation of antiproton data which could have broad consequences for other areas of astrophysics. In this work, we calculate antiproton production in pp-, pA-, and AA-interactions using EPOS-LHC and QGSJET-II-04, two of the most advanced Monte Carlo (MC) generators tuned to numerous accelerator data including those from the Large Hadron Collider (LHC). We show that the antiproton yields obtained with these MC generators differ by up to an order of magnitude from yields of parameterizations commonly used in astrophysics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Modeling the surface temperature of earth-like planets

We introduce a novel Earth-like planet surface temperature model (ESTM) for habitability studies based on the spatial–temporal distribution of planetary surface temperatures. The ESTM adopts a surface energy balance model (EBM) complemented by: radiative–convective atmospheric column calculations, a set of physically based parameterizations of meridional transport, and descriptions of surface and cloud properties more refined than in standard EBMs. The parameterization is valid for rotating terrestrial planets with shallow atmospheres and moderate values of axis obliquity (ϵ≲45{sup ∘}). Comparison with a 3D model of atmospheric dynamics from the literature shows that the equator-to-pole temperature differences predicted by the two models agree within ≈5 K when the rotation rate, insolation, surface pressure and planet radius are varied in the intervals 0.5≲Ω/Ω{sub ⊕}≲2, 0.75≲S/S{sub ∘}≲1.25, 0.3≲p/(1 bar)≲10, and 0.5≲R/R{sub ⊕}≲2, respectively. The ESTM has an extremely low computational cost and can be used when the planetary parameters are scarcely known (as for most exoplanets) and/or whenever many runs for different parameter configurations are needed. Model simulations of a test-case exoplanet (Kepler-62e) indicate that an uncertainty in surface pressure within the range expected for terrestrial planets may impact the mean temperature by ∼60 K. Within the limits of validity of the ESTM, the impact of surface pressure is larger than that predicted by uncertainties in rotation rate, axis obliquity, and ocean fractions. We discuss the possibility of performing a statistical ranking of planetary habitability taking advantage of the flexibility of the ESTM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Local H i emissivity measured with Fermi-LAT and implications for cosmic-ray spectra

Cosmic-ray (CR) electrons and nuclei interact with the Galactic interstellar gas and produce high-energy γ-rays. The γ-ray emission rate per hydrogen atom, called emissivity, provides a unique indirect probe of the CR flux. We present the measurement and the interpretation of the emissivity in the solar neighborhood for γ-ray energy from 50 MeV to 50 GeV. We analyzed a subset of 4 yr of observations from the Large Area Telescope (LAT) aboard the Fermi Gamma-ray Space Telescope (Fermi) restricted to absolute latitudes 10{sup ∘}<|b|<70{sup ∘}. From a fit to the LAT data including atomic, molecular, and ionized hydrogen column density templates, as well as a dust optical depth map, we derived the emissivities, the molecular hydrogen–to–CO conversion factor X{sub CO}=(0.902±0.007)×10{sup 20} cm{sup −2} (K km s{sup −1}){sup −1}, and the dust-to-gas ratio X{sub DUST}=(41.4±0.3)×10{sup 20} cm{sup −2} mag{sup −1}. Moreover, we detected for the first time γ-ray emission from ionized hydrogen. We compared the extracted emissivities to those calculated from γ-ray production cross sections and to CR spectra measured in the heliosphere. We observed that the experimental emissivities are reproduced only if the solar modulation is accounted for. This provides a direct detection of solar modulation observed previously through the anticorrelation between CR fluxes and solar activity. Finally, we fitted a parameterized spectral form to the heliospheric CR observations and to the Fermi-LAT emissivity and obtained compatible local interstellar spectra for proton and helium kinetic energy per nucleon between between 1 and 100 GeV and for electron–positrons between 0.1 and 100 GeV.

79 ASTRONOMY AND ASTROPHYSICS↗