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At least 163 records · Page 9

OBSERVING SIMULATED PROTOSTARS WITH OUTFLOWS: HOW ACCURATE ARE PROTOSTELLAR PROPERTIES INFERRED FROM SEDs?

The properties of unresolved protostars and their local environment are frequently inferred from spectral energy distributions (SEDs) using radiative transfer modeling. In this paper, we use synthetic observations of realistic star formation simulations to evaluate the accuracy of properties inferred from fitting model SEDs to observations. We use ORION, an adaptive mesh refinement (AMR) three-dimensional gravito-radiation-hydrodynamics code, to simulate low-mass star formation in a turbulent molecular cloud including the effects of protostellar outflows. To obtain the dust temperature distribution and SEDs of the forming protostars, we post-process the simulations using HYPERION, a state-of-the-art Monte Carlo radiative transfer code. We find that the ORION and HYPERION dust temperatures typically agree within a factor of two. We compare synthetic SEDs of embedded protostars for a range of evolutionary times, simulation resolutions, aperture sizes, and viewing angles. We demonstrate that complex, asymmetric gas morphology leads to a variety of classifications for individual objects as a function of viewing angle. We derive best-fit source parameters for each SED through comparison with a pre-computed grid of radiative transfer models. While the SED models correctly identify the evolutionary stage of the synthetic sources as embedded protostars, we show that the disk and stellar parameters can be very discrepant from the simulated values, which is expected since the disk and central source are obscured by the protostellar envelope. Parameters such as the stellar accretion rate, stellar mass, and disk mass show better agreement, but can still deviate significantly, and the agreement may in some cases be artificially good due to the limited range of parameters in the set of model SEDs. Lack of correlation between the model and simulation properties in many individual instances cautions against overinterpreting properties inferred from SEDs for unresolved protostellar sources.

79 ASTRONOMY AND ASTROPHYSICS↗

Improving the Transportability of a Deep Learning Denoising Model Using Transfer Learning Techniques

The adoption of machine learning techniques in the seismology community has led to great performance improvements in several areas, including signal processing. Specifically, the development of deep learning–based seismic waveform denoising models has the potential to yield improvements in signal detection capabilities for networks operating in particularly noisy environments. Recent advancements in the design of these deep learning denoising models have included the incorporation of continuous and discrete wavelet transform functions into the network architecture to improve the learning capabilities and efficiency of said models. These wavelet transform–based seismic denoising models have shown improved denoising capabilities in regions where there is good agreement between the data features present in the training and evaluation datasets. However, questions remain about the overall transportability of these models to other monitoring regions. Here, in this study, we will determine the baseline transportability of a newly developed multilevel wavelet‐transform convolutional neural network (MWCNN) seismic denoising model. We accomplish this by taking a version of the MWCNN denoising model trained on data collected from the Utah region and evaluating its denoising performance on datasets collected from the neighboring Nevada region, which differ with regard to monitoring sensor types and event histories. We find that there is a notable variability in denoising performance related to the degree of similarity between the initial and new target datasets. The most notable difference in denoising performance is the ability of the denoising model to preserve accurate amplitude information associated with the signal energy present in the waveform data. Finally, we evaluate the ability of transfer learning techniques to improve the transportability of the MWCNN denoising model. We find that although there is still a performance gap present in the denoising results of the MWCNN model, transfer learning did yield improved results.

Quinones, Louis [Sandia National Laboratories (SNL↗

Fast All-Sky Radiation Model for Solar Applications (FARMS): A Brief Overview of Mechanisms, Performance, and Applications: Preprint

Solar radiation can be computed using radiative transfer models, such as the Rapid Radiation Transfer Model (RRTM) and its general circulation model applications, and used for various energy applications. Due to the complexity of computing radiation fields in aerosol and cloudy atmospheres, simulating solar radiation can be extremely time-consuming, but many approximations--e.g., the two-stream approach and the delta-M truncation scheme--can be utilized. To provide a new fast option for computing solar radiation, we developed the Fast All-sky Radiation Model for Solar applications (FARMS) by parameterizing the simulated diffuse horizontal irradiance and direct normal irradiance for cloudy conditions from the RRTM runs using a 16-stream discrete ordinates radiative transfer method. The solar irradiance at the surface was simulated by combining the cloud irradiance parameterizations with a fast clear-sky model, REST2. To understand the accuracy and efficiency of the newly developed fast model, we analyzed FARMS runs using cloud optical and microphysical properties retrieved using GOES data from 2009-2012. The global horizontal irradiance for cloudy conditions was simulated using FARMS and RRTM for global circulation modeling with a two-stream approximation and compared to measurements taken from the U.S. Department of Energy's Atmospheric Radiation Measurement Climate Research Facility Southern Great Plains site. Our results indicate that the accuracy of FARMS is comparable to or better than the two-stream approach; however, FARMS is approximately 400 times more efficient because it does not explicitly solve the radiative transfer equation for each individual cloud condition. Radiative transfer model runs are computationally expensive, but this model is promising for broad applications in solar resource assessment and forecasting. It is currently being used in the National Solar Radiation Database, which is publicly available from the National Renewable Energy Laboratory at http://nsrdb.nrel.gov.

14 SOLAR ENERGY↗

Machine learning-based surrogate models and transfer learning for derivative free optimization of HT-PEM fuel cells

Widespread adoption of high-temperature polymer electrolyte membrane electrochemical systems, such as fuel cells (HT-PEMFCs), requires models and computational tools for accurate optimization and guiding new materials for enhancing performance and durability. In this contribution, knowledge-based modelling and data-driven modelling are combined using Few-Shot Learning and implementing an Automated Machine Learning framework for the generation of Machine Learning-based surrogate models. Applicability of the resulting model for derivative-free optimization is demonstrated. Additionally, a way of considering extrapolation in the optimization task is presented. Results show that although extrapolation is needed to achieve better solutions during optimization, it can be monitored and managed. As a result, tuning the electrode ionomer binder's properties, such as ionic conductivity, in the fuel cell represents a promising pathway for improving HT-PEMFC performance.

08 HYDROGEN↗

A mixed quantum-classical Liouville study of the population dynamics in a model photo-induced condensed phase electron transfer reaction

We apply two approximate solutions of the quantum-classical Liouville equation (QCLE) in the mapping representation to the simulation of the laser-induced response of a quantum subsystem coupled to a classical environment. These solutions, known as the Poisson Bracket Mapping Equation (PBME) and the Forward-Backward (FB) trajectory solutions, involve simple algorithms in which the dynamics of both the quantum and classical degrees of freedom are described in terms of continuous variables, as opposed to standard surface-hopping solutions in which the classical degrees of freedom hop between potential energy surfaces dictated by the discrete adiabatic state of the quantum subsystem. The validity of these QCLE-based solutions is tested on a non-trivial electron transfer model involving more than two quantum states, a time-dependent Hamiltonian, strong subsystem-bath coupling, and an initial energy shift between the donor and acceptor states that depends on the strength of the subsystem-bath coupling. In particular, we calculate the time-dependent population of the photoexcited donor state in response to an ultrafast, on-resonance pump pulse in a three-state model of an electron transfer complex that is coupled asymmetrically to a bath of harmonic oscillators through the optically dark acceptor state. Within this approach, the three-state electron transfer complex is treated quantum mechanically, while the bath oscillators are treated classically. When compared to the more accurate QCLE-based surface-hopping solution and to the numerically exact quantum results, we find that the PBME solution is not capable of qualitatively capturing the population dynamics, whereas the FB solution is. However, when the subsystem-bath coupling is decreased (which also decreases the initial energy shift between the donor and acceptor states) or the initial shift is removed altogether, both the PBME and FB results agree better with the QCLE-based surface-hopping results. These findings highlight the challenges posed by various conditions such as a time-dependent external field, the strength of the subsystem-bath coupling, and the degree of asymmetry on the accuracy of the PBME and FB algorithms.

74 ATOMIC AND MOLECULAR PHYSICS↗

GREEN PEA GALAXIES REVEAL SECRETS OF Lyα ESCAPE

We analyze archival Lyα spectra of 12 “Green Pea” galaxies observed with the Hubble Space Telescope, model their Lyα profiles with radiative transfer models, and explore the dependence of the Lyα escape fraction on various properties. Green Pea galaxies are nearby compact starburst galaxies with [O iii] λ5007 equivalent widths (EWs) of hundreds of Å. All 12 Green Pea galaxies in our sample show Lyα lines in emission, with an Lyα EW distribution similar to high-redshift Lyα emitters. Combining the optical and UV spectra of Green Pea galaxies, we estimate their Lyα escape fractions and find correlations between Lyα escape fraction and kinematic features of Lyα profiles. The escape fraction of Lyα in these galaxies ranges from 1.4% to 67%. We also find that the Lyα escape fraction depends strongly on metallicity and moderately on dust extinction. We compare their high-quality Lyα profiles with single H i shell radiative transfer models and find that the Lyα escape fraction anticorrelates with the derived H i column densities. Single-shell models fit most Lyα profiles well, but not the ones with the highest escape fractions of Lyα. Our results suggest that low H i column density and low metallicity are essential for Lyα escape and make a galaxy an Lyα emitter.

79 ASTRONOMY AND ASTROPHYSICS↗

Numerical Simulation of Bulging Deformation for Wide-Thick Slab Under Uneven Cooling Conditions

In the present work, the bulging deformation of a wide-thick slab under uneven cooling conditions was studied using finite element method. The non-uniform solidification was first calculated using a 2D heat transfer model. The thermal material properties were derived based on a microsegregation model, and the water flux distribution was measured and applied to calculate the cooling boundary conditions. Based on the solidification results, a 3D bulging model was established. The 2D heat transfer model was verified by the measured shell thickness and the slab surface temperature, and the 3D bulging model was verified by the calculated maximum bulging deflections using formulas. The bulging deformation behavior of the wide-thick slab under uneven cooling condition was then determined, and the effect of uneven solidification, casting speed, and roll misalignment were investigated.

36 MATERIALS SCIENCE↗

Validation of GOES-Derived Surface Radiation Using NOAA's Physical Retrieval Method

A comparison of satellite-derived solar resource with nine high-quality, ground-based solar radiation measurements from NOAA’s Surface Radiation (SURFRAD) Network, the Integrated Surface Insolation Study (ISIS) Network, the Solar Radiation Research Laboratory (SRRL) at NREL, and DOE’s Solar Resource and Meteorological Assessment Project (SOLRMAP) program was conducted. The comparison was made using data from 2009 for various locations. Our results showed that the satellite-based method underpredicted both global horizontal irradiance (GHI) and direct normal irradiance (DNI). GHI values were underestimated by about 13% to 22% for the stations located in a desert environment, such as Desert Rock, Nevada, and SOLRMAP stations located around southwest Nevada and Arizona. We found that the Satellite Algorithm for Shortwave Radiation Budget (SASRAB) radiative transfer model caused the underprediction of GHI and DNI, especially in clear-sky situations and low zenith angles (around solar noon). Using other radiative transfer algorithms reduced the bias from SASRAB, and it is expected that the accuracy of the satellite-based product will significantly improve with the introduction of a high-quality, radiative transfer model. Future work will aim to reduce the biases by using better input parameters and applying these parameters to a better, simple, clear-sky radiative transfer model that properly accounts for the parameters.

14 SOLAR ENERGY↗

Modeling the Transfer Function for the Dark Energy Survey

We present a forward-modeling simulation framework designed to model the data products from the Dark Energy Survey (DES). This forward-model process can be thought of as a transfer function—a mapping from cosmological/astronomical signals to the final data products used by the scientists. Using output from the cosmological simulations (the Blind Cosmology Challenge), we generate simulated images (the Ultra Fast Image Simulator) and catalogs representative of the DES data. In this work we demonstrate the framework by simulating the 244 deg 2 coadd images and catalogs in five bands for the DES Science Verification data. The simulation output is compared with the corresponding data to show that major characteristics of the images and catalogs can be captured. We also point out several directions of future improvements. Two practical examples—star-galaxy classification and proximity effects on object detection—are then used to illustrate how one can use the simulations to address systematics issues in data analysis. With clear understanding of the simplifications in our model, we show that one can use the simulations side-by-side with data products to interpret the measurements. This forward modeling approach is generally applicable for other upcoming and future surveys. It provides a powerful tool for systematics studies that is sufficiently realistic and highly controllable.

79 ASTRONOMY AND ASTROPHYSICS↗

Investigation of sensitizer ions tunable-distribution in fluoride nanoparticles for efficient accretive three-center energy transfer

Cooperative upconversion luminescence of Yb³⁺-Yb³⁺ couples and three-center energy transfer mechanisms have been deeply investigated in Yb³⁺ doped and Yb³⁺-Tb³⁺ co-doped β-PbF₂ nanoparticles. As sensitizer ions, the distribution of Yb³⁺ ions, which is a key factor that affects the cooperative upconversion luminescence and three-center energy transfer processes, can be tuned by the structure of nanoparticles. Based on the three-center distributions in tetragonal PbYb{sub x}Tb{sub 1–x}F₅ nanoparticles, two different energy transfer models, Cooperative Energy Transfer (CET) and Accretive Energy Transfer (AET) mechanisms were established. Especially, AET model is observed and verified in this work for the first time. Experimental results obtained from photoluminescence spectroscopy study are in agreement with the theoretical calculations by applying rate equations in these models, strongly supporting the proposed three-center energy transfer mechanisms. The sensitization between Yb³⁺ ions only existing in AET process can greatly improve the energy transfer rates, further to enhance the quantum efficiency. The results that the calculated luminescence quantum efficiency in AET quantum cutting process is much higher than that in CET process (134% and 104%, respectively), can benefit for further increasing the conversion efficiency of c-Si solar cells.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Thermal equilibrium properties of surface hopping with an implicit Langevin bath

The ability of fewest switches surface hopping (FSSH) approach, where the classical degrees of freedom are coupled to an implicit Langevin bath, to establish and maintain an appropriate thermal equilibrium was evaluated in the context of a three site model for electron transfer. The electron transfer model consisted of three coupled diabatic states that each depends harmonically on the collective bath coordinate. This results in three states with increasing energy in the adiabatic representation. The adiabatic populations and distributions of the collective solvent coordinate were monitored during the course of 250 ns FSSH-Langevin (FSSH-L) simulations performed at a broad range of temperatures and for three different nonadiabatic coupling strengths. The agreement between the FSSH-L simulations and numerically exact results for the adiabatic population ratios and solvent coordinate distributions was generally favorable. The FSSH-L method produces a correct Boltzmann distribution of the solvent coordinate on each of the adiabats, but the integrated populations are slightly incorrect because FSSH does not rigorously obey detailed balance. The overall agreement is better at high temperatures and for high nonadiabatic coupling, which agrees with a previously reported analytical and simulation analysis [J. R. Schmidt, P. V. Parandekar, and J. C. Tully, J. Chem. Phys. 129, 044104 (2008)] on a two-level system coupled to a classical bath.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Radiation transfer of models of massive star formation. III. The evolutionary sequence

We present radiation transfer simulations of evolutionary sequences of massive protostars forming from massive dense cores in environments of high mass surface densities, based on the Turbulent Core Model. The protostellar evolution is calculated with a multi-zone numerical model, with the accretion rate regulated by feedback from an evolving disk wind outflow cavity. The disk evolution is calculated assuming a fixed ratio of disk to protostellar mass, while the core envelope evolution assumes an inside-out collapse of the core with a fixed outer radius. In this framework, an evolutionary track is determined by three environmental initial conditions: the core mass M{sub c} , the mass surface density of the ambient clump Σ{sub cl}, and the ratio of the core's initial rotational to gravitational energy β {sub c}. Evolutionary sequences with various M{sub c} , Σ{sub cl}, and β {sub c} are constructed. We find that in a fiducial model with M{sub c} = 60 M {sub ☉}, Σ{sub cl} = 1 g cm{sup –2}, and β {sub c} = 0.02, the final mass of the protostar reaches at least ∼26 M {sub ☉}, making the final star formation efficiency ≳ 0.43. For each of the evolutionary tracks, radiation transfer simulations are performed at selected stages, with temperature profiles, spectral energy distributions (SEDs), and multiwavelength images produced. At a given stage, the envelope temperature depends strongly on Σ{sub cl}, with higher temperatures in a higher Σ{sub cl} core, but only weakly on M{sub c} . The SED and MIR images depend sensitively on the evolving outflow cavity, which gradually widens as the protostar grows. The fluxes at ≲ 100 μm increase dramatically, and the far-IR peaks move to shorter wavelengths. The influence of Σ{sub cl} and β {sub c} (which determines disk size) are discussed. We find that, despite scatter caused by different M{sub c} , Σ{sub cl}, β {sub c}, and inclinations, sources at a given evolutionary stage appear in similar regions of color-color diagrams, especially when using colors with fluxes at ≳ 70 μm, where scatter due to inclination is minimized, implying that such diagrams can be useful diagnostic tools for identifying the evolutionary stages of massive protostars. We discuss how intensity profiles along or perpendicular to the outflow axis are affected by environmental conditions and source evolution and can thus act as additional diagnostics of the massive star formation process.

79 ASTRONOMY AND ASTROPHYSICS↗

RADIATION TRANSFER OF MODELS OF MASSIVE STAR FORMATION. II. EFFECTS OF THE OUTFLOW

We present radiation transfer simulations of a massive (8 M{sub Sun }) protostar forming from a massive (M{sub c} = 60 M{sub Sun }) protostellar core, extending the model developed by Zhang and Tan. The two principal improvements are (1) developing a model for the density and velocity structure of a disk wind that fills the bipolar outflow cavities, based in part on the disk-wind model of Blandford and Payne; and (2) solving for the radially varying accretion rate in the disk due to a supply of mass and angular momentum from the infall envelope and their loss to the disk wind. One consequence of the launching of the disk wind is a reduction in the amount of accretion power that is radiated by the disk. We also include a non-Keplerian potential appropriate for a growing, massive disk. For the transition from dusty to dust-free conditions where gas opacities dominate, we now implement a gradual change as a more realistic approximation of dust destruction. We study how the above effects, especially the outflow, influence the spectral energy distributions (SEDs) and the synthetic images of the protostar. Dust in the outflow cavity significantly affects the SEDs at most viewing angles. It further attenuates the short-wavelength flux from the protostar, controlling how the accretion disk may be viewed, and contributes a significant part of the near- and mid-IR fluxes. These fluxes warm the disk, boosting the mid- and far-IR emission. We find that for near face-on views, i.e., looking down the outflow cavity (although not too close to the axis), the SED from the near-IR to about 60 {mu}m is very flat, which may be used to identify such systems. We show that the near-facing outflow cavity and its walls are still the most significant features in images up to 70 {mu}m, dominating the mid-IR emission and determining its morphology. The thermal emission from the dusty outflow itself dominates the flux at {approx}20 {mu}m. The detailed distribution of the dust in the outflow affects the morphology, so the model can be constrained by considering detailed intensity profiles along and perpendicular to the outflow axis. For example, even though the outflow cavity is wide, at 10-20 {mu}m, the dust in the disk wind can make the outflow appear narrower than in the near-IR bands.

79 ASTRONOMY AND ASTROPHYSICS↗

Laser Pulse Width Dependence and Ionization Mechanism of Matrix-Assisted Laser Desorption/Ionization

Ultraviolet laser pulses at 355 nm with variable pulse widths in the region from 170 ps to 1.5 ns were used to investigate the ionization mechanism of matrix-assisted laser desorption/ionization (MALDI) for matrices 2,5-dihydroxybenzoic acid (DHB), α-cyano-4-hydroxycinnamic acid (CHCA), and sinapinic acid (SA). The mass spectra of desorbed ions and the intensity and velocity distribution of desorbed neutrals were measured simultaneously for each laser shot. These quantities were found to be independent of the laser pulse width. A comparison of the experimental measurements and numerical simulations according to the multiphoton ionization, coupled photophysical and chemical dynamics (CPCD), and thermally induced proton transfer models showed that the predictions of thermally induced proton transfer model were in agreement with the experimental data, but those of the multiphoton ionization model were not. Moreover, the predictions of the CPCD model based on singlet–singlet energy pooling were inconsistent with the experimental data of CHCA and SA, but were consistent with the experimental data of DHB only when some parameters used in the model were adjusted to extreme values. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A charge-transfer resistance model and Arrhenius activation analysis for hydrogen ion transmission across single-layer graphene

Transmission rates for protons and deuterons across single-layer graphene embedded in Nafion | graphene | Nafion sandwich structures are measured as a function of temperature in electrochemical hydrogen pump cells. Rates of ion transmission through graphene are obtained in the form of area-normalized ion-transfer resistances, and are interpreted in terms of ion-exchange current densities and standard heterogeneous ion-transfer rate constants. An encounter pre-equilibrium model for the ion-transfer step is then used to provide rate constants for the fundamental microscopic step of ion (proton or deuteron) transmission across graphene. Application of this rate model to interpret variable-temperature data on proton and deuteron transmission rates provides values for the activation energy and pre-exponential factor for the fundamental ion transmission step across graphene. Activation energies obtained from the Arrhenius plots for proton and deuteron transmission are as follows; for proton, E act = 48 ± 2 kJ/mole (0.50 ± 0.02 eV) and for deuteron, E act = 53 ± 5 kJ/mole (0.55 ± 0.05 eV). The difference between these two values of approximately 5 kJ/mole is in good agreement with the expected difference in vibrational zero-point energies for O—H and O-D bonds, albeit with some uncertainty given the uncertainties in the activation energy values. Pre-exponential frequency factor values of 8.3 ± 0.4 × 10 13 s -1 and is 4.7 ± 0.5 × 10 13 s -1 were obtained for proton and deuteron transmission respectively across graphene. These pre-factor values are both quite large, on the order of the values predicted from the Eyring – Polanyi equation with a transmission coefficient near one. The ratio of 1.8 for the rate pre-factors (H/D) is in reasonable agreement with the value of 1.3 for the ratio of bond vibrational frequencies for O—H and O-D stretching, respectively. Taken together, these data support a model in which proton and deuteron transmission across graphene are largely adiabatic processes for which the differences in transmission rate at room temperature are due largely to differences in activation energies.

2D materials↗

Subgrid-scale model for radiative transfer in turbulent participating media

The simulation of turbulent flows of radiating gases, taking into account all turbulence length scales with an accurate radiation transport solver, is computationally prohibitive for high Reynolds or Rayleigh numbers. This is particularly the case when the small structures are not optically thin. We develop in this paper a radiative transfer subgrid model suitable for the coupling with direct numerical simulations of turbulent radiating fluid flows. Owing to the linearity of the Radiative Transfer Equation (RTE), the emission source term is spatially filtered to define large-scale and subgrid-scale radiation intensities. The large-scale or filtered intensity is computed with a standard ray tracing method on a coarse grid, and the subgrid intensity is obtained analytically (in Fourier space) from the Fourier transform of the subgrid emission source term. A huge saving of computational time is obtained in comparison with direct ray tracing applied on the fine mesh. Model accuracy is checked for three 3D fluctuating temperature fields. The first field is stochastically generated and allows us to discuss the effects of the filtering level and of the optical thicknesses of the whole medium, of the integral length scale, and of the cutoff wave length. The second and third cases correspond respectively to turbulent natural convection of humid air in a cubical box, and to the flow of hot combustion products inside a channel. In all cases, the achieved accuracy on radiative powers and wall fluxes is about a few percents.

42 ENGINEERING↗

Modeling prismatic HTGRs with U.S. N.R.C advanced gas reactor evaluator (AGREE)

A core fluids and heat transfer model has been developed for the prismatic high temperature gas reactor in support of the US NRC Next Generation Nuclear Plant (NGNP) evaluation model. The core fluids modeling relies on a subchannel approach in which the primary coolant flow path through the core region and vertical in-core and ex-core gaps can be modeled as individual subchannels. These subchannels are connected together to represent a three dimensional reactor. An initial validation calculation for the core fluids model has been performed using data available in literature for bypass flow. The predicted bypass flow was within 2.6% of the value reported in the literature. The core level heat transfer model is based on a triangular finite volume method, where the base triangle is one sixth of the prismatic block. In order to improve the spatial accuracy at this level, a triangular refinement method was also implemented. The fuel compact temperature is calculated by a cylindrical conduction model which is implicitly coupled to the triangular core level model. The preliminary verification of the model was performed by comparing AGREE to a finite element code COMSOL by analyzing the MHTGR core heat transfer. Further verification and validation is currently an ongoing effort. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗