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At least 1,387 records · Page 77

Criticality Calculations with MCNP6 - Practical Lectures

These slides are used to teach MCNP (Monte Carlo N-Particle) usage to nuclear criticality safety analysts. The following are the lecture topics: course information, introduction, MCNP basics, criticality calculations, advanced geometry, tallies, adjoint-weighted tallies and sensitivities, physics and nuclear data, parameter studies, NCS validation I, NCS validation II, NCS validation III, case study 1 - solution tanks, case study 2 - fuel vault, case study 3 - B&W core, case study 4 - simple TRIGA, case study 5 - fissile mat. vault, criticality accident alarm systems. After completion of this course, you should be able to: Develop an input model for MCNP; Describe how cross section data impact Monte Carlo and deterministic codes; Describe the importance of validation of computer codes and how it is accomplished; Describe the methodology supporting Monte Carlo codes and deterministic codes; Describe pitfalls of Monte Carlo calculations; Discuss the strengths and weaknesses of Monte Carlo and Discrete Ordinants codes; The diffusion theory model is not strictly valid for treating fissile systems in which neutron absorption, voids, and/or material boundaries are present. In the context of these limitations, identify a fissile system for which a diffusion theory solution would be adequate.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Determining acceptable limits of fast-electron preheat in direct-drive-ignition–scale target designs

In direct-drive–ignition designs, preheat by fast electrons created by the two-plasmon–decay or stimulated Raman instabilities can increase the adiabat in the fuel layer and reduce compression and neutron yield. Since eliminating the preheat entirely is a major challenge, it is necessary to understand the levels of preheat that preclude ignition in a direct-drive target. Two 1-D ignition-scale target designs serve as the basis for examining the effects of synthetically increasing the levels of fast electrons using the 1-D radiation–hydrodynamic code LILAC , which includes two models of fast-electron transport. The first is an ignition design adapted from a 2-D polar-direct-drive (PDD) design for the National Ignition Facility (NIF). The second is derived from the first but uses a laser pulse that generates stronger shocks and a higher fuel adiabat. This more stable “alpha-burner” design approaches ignition and achieves yield multiplication as a result of alpha heating. The designs are then re optimized to recover performance. The igniting design, when fast-electron transport was modeled with diffusion, was found to tolerate 50% more fast-electron preheat of the cold (sub-50 eV) DT ice layer when the laser pulse was optimized using the optimizer Telios . When a straight-line fast-electron transport model was used, the effects of optimization were negligible. For the alpha-burner design, an increase of over a factor of at least 3 in the tolerable level of fast-electron preheat was obtained for both transport models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Methane production and emissions in trees and forests

Forest ecosystem methane (CH 4 ) research has focused on soils, but trees are also important sources and sinks in forest CH 4 budgets. Living and dead trees transport and emit CH 4 produced in soils; living trees and dead wood emit CH 4 produced inside trees by microorganisms; and trees produce CH 4 through an abiotic photochemical process. Here, we review the state of the science on the production, consumption, transport, and emission of CH 4 by living and dead trees, and the spatial and temporal dynamics of these processes across hydrologic gradients inclusive of wetland and upland ecosystems. Emerging research demonstrates that tree CH 4 emissions can significantly increase the source strength of wetland forests, and modestly decrease the sink strength of upland forests. Scaling from stem or leaf measurements to trees or forests is limited by knowledge of the mechanisms by which trees transport soil-produced CH 4 , microbial processes produce and oxidize CH 4 inside trees, a lack of mechanistic models, the diffuse nature of forest CH 4 fluxes, complex overlap between sources and sinks, and extreme variation across individuals. Understanding the complex processes that regulate CH 4 source–sink dynamics in trees and forests requires cross-disciplinary research and new conceptual models that transcend the traditional binary classification of wetland vs upland forest.

59 BASIC BIOLOGICAL SCIENCES↗

Effects of Moisture on Diffusion in Unmodified Wood Cell Walls: A Phenomenological Polymer Science Approach

Despite the importance of cell wall diffusion to nearly all aspects of wood utilization, diffusion mechanisms and the detailed effects of moisture remain poorly understood. In this perspective, we introduce and employ approaches established in polymer science to develop a phenomenological framework for understanding the effects of moisture on diffusion in unmodified wood cell walls. The premise for applying this polymer-science-based approach to wood is that wood polymers (cellulose, hemicelluloses, and lignin) behave like typical solid polymers. Therefore, the movement of chemicals through wood cell walls is a diffusion process through a solid polymer, which is in contrast to previous assertions that transport of some chemicals occurs via aqueous pathways in the cell wall layers. Diffusion in polymers depends on the interrelations between free volume in the polymer matrix, molecular motions of the polymer, diffusant dimensions, and solubility of the diffusant in the polymer matrix. Because diffusion strongly depends on whether a polymer is in a rigid glassy state or soft rubbery state, it is important to understand glass transitions in the amorphous wood polymers. Through a review and analysis of available literature, we conclude that in wood both lignin and the amorphous polysaccharides very likely have glass transitions. After developing and presenting this polymer-science-based perspective of diffusion through unmodified wood cell walls, suggested directions for future research are discussed. A key consideration is that a large difference between diffusion through wood polymers and typical polymers is the high swelling pressures that can develop in unmodified wood cell walls. This pressure likely arises from the hierarchical structure of wood and should be taken into consideration in the development of predictive models for diffusion in unmodified wood cell walls.

59 BASIC BIOLOGICAL SCIENCES↗

Diffuse X-ray scattering from polished silicon: application of the distorted wave Born approximation

Measured diffuse X-ray scattering data for a `smooth' as well as for a `rough' silicon sample were fit to theoretical expressions within the distorted wave Born approximation (DWBA). Data for the power spectral density (PSD) for both samples were also obtained by means of atomic force microscopy and optical interferometry. The Fourier transforms of trial correlation functions were fit to the PSD data and then applied to the DWBA formalism. The net correlation functions needed to fit the PSD data for each sample comprised the sum of two terms with different cutoff lengths and different self-affine fractal exponents. At zero distance these correlation functions added up to yield net values of σ 2 = (2) 2 and (71) 2 Å 2 for the smooth and rough samples, respectively. X-ray scattering data were obtained at beamline 1-BM of the Advanced Photon Source. Data and fits at values of q z = 0.05 and 0.10 Å −1 for the smooth sample are reported. Good fits for the smooth sample were obtained at both q z values simultaneously, that is, identical fitting parameters were applied at both values of q z . The smooth sample also exhibited weak Yoneda wings and a clear distinction between the strong specular scattering and the weak diffuse scattering. Data for the rough sample were qualitatively different and exhibited very weak scattering at the specular condition in contrast to extremely large Yoneda wings. Fits for the rough sample are reported for q z = 0.04, 0.05, and 0.06 Å −1 . Although the large Yoneda wings could be fit quite well in both position and amplitude, scattering near the specular condition could not be equally well fit by applying the same fitting parameters at all values of q z . Albeit imperfect, best-fitting results at the specular condition were obtained by invoking only diffuse scattering, that is, without including a separate theoretical expression for specular scattering.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fluctuation and rotation in diffusion-influenced monomolecular reactions

Models of partially absorbing boundaries for calculating diffusion-influenced chemical reactions are examined analytically. The limitations of diffusion-equation and random-walk models are indicated; the presence of an ambiguous length parameter in a standard radiation-boundary-condition (RBC) model is demonstrated; the RBC model for a boundary with oscillation (at a rate much faster than the rate of thermal collisions) between absorbing and nonabsorbing states is considered; an alternative stochastically switching absorber (SSA) model is introduced and shown to be physically consistent; the equivalence of one-dimensional RBC and SSA models under some conditions is shown; one time passage is calculated for an axially symmetric three-dimensional SSA model with anisotropic absorption; and the analogy between rotation and stochastic switching is explored.

Bashford, Donald↗

An evaluation of the role of eddy diffusion in stratospheric interactive two-dimensional models

An interactive two-dimensional model of the stratosphere, consisting of a primitive equation dynamics module, a simplified HO(x) ozone model, and a full radiative transfer scheme, is used to study the effect of eddy diffusion in the model. Consideration is given to the effects of nonlocal forcing from dissipation in the model troposphere and frictional drag at mesospheric levels, mechanical damping in the stratosphere itself, and potential vorticity flux due to large scale waves. It is found that the ozone distributions generated with the model are very sensitive to the choice of values for the friction and the eddy diffusion coefficients. It is shown that reasonable latitudinal gradients of ozone may be obtained by using small values for the mechanical damping for the mid- and high-latitude stratopsphere.

Schneider, Hans R.↗

The Past and Future of AstroPAH Research and the Diffuse Interstellar Bands

Here, we present a critical assessment of the PAHs as DIB Carriers and discuss the progress and the advances that have been achieved so far through a series of complementary studies involving astronomical observations of DIBs, laboratory simulation of interstellar analogs for PAHs (neutrals and ions), space exposure experiments of PAHs, theoretical calculations of PAH spectra and the modeling of diffuse and translucent interstellar clouds. We will discuss what we have learned from these complementary studies, the constraints that can be derived from these studies for the PAHs as DIB carriers and the future studies that are required to address the open questions. These involve extending the laboratory and astronomical PAH-DIB studies from the NUV-Visible range into the NIR and MIR domains where DIBs have also been observed and developing tools in the laboratory to help generate more complex, PAH-related species for comparison with astronomical data. For the laboratory part, we will present the COSmIC facility at NASA-Ames that provides experimental conditions that closely mimic the interstellar conditions and helps address these issues. The comparison of astronomical data with laboratory data measured under realistic conditions is the only way to derive clear and unambiguous conclusions regarding the expected abundances for PAHs of various sizes and charge states in interstellar environments. From the observational aspect we will explore the new opportunities offered by JWST to connect the DIBs to MIR PAH emission and to search for NIR DIBs that may trace the presence of PAHs.

Salama, Farid↗

Modeling the Ionic Strength Effect on Diffusion in Clay. The DR-A Experiment at Mont Terri

Solute diffusion in compacted clays depends on ionic strength through its control on the thickness of the electrical double layer (EDL) on the charged clay surfaces. In the DR-A field experiment (Mont Terri, Switzerland), synthetic porewater was circulated through a borehole for 189 days, leading to the out-diffusion of a variety of tracers into the Opalinus Clay. The borehole solution was then replaced with a higher-salinity solution for an additional 540 days, leading to the diffusion of Cs + , Ca 2+ , Mg 2+ , and Sr 2+ back into the borehole and to an increase in the out-diffusion of anions (I - , Br - ) and 3 H. The experimental results were interpreted using the CrunchClay code, which includes a mean electrostatic potential model for the EDL. The EDL corresponds to a second continuum in addition to bulk electrically neutral porewater. Species-specific diffusion (Nernst-Planck equation) occurs through both domains. A 1D radial model considered a single pore diffusion coefficient (Dp = 10-9 m2/s) for cations and 3H in the bulk porosity, and a smaller D p (3 × 10 -10 m 2 /s) for anions. Dp values in the EDL were smaller (10 -11 m 2 /s), except for Cs + and K + (5 × 10 -10 and 2 × 10 -10 m 2 /s, respectively). The model reproduced well the experimental results and showed the capability to consider temporal changes in geochemical conditions affecting the transport and retention of potentially important radionuclide contaminants (e.g., 137 Cs + , 90 Sr 2+ , 129 I - ) in underground geological nuclear waste repositories. Finally, coupled multicomponent diffusion together with the electrostatic properties of the charged surfaces are essential in the development of predictive models for ion transport in clays.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Divine-garrett model and Jovian synchrotron emission

Simulations of synchrotron emission from relativistic electrons trapped in Jupiter's magnetic field are used to evaluate the energetic electron distribution of the Divine-Garrett Jupiter radiation belt model at radial distances less than 4 Jovian radii.

Radial diffusion-models electrons jupiter↗

Field-level reconstruction from foreground-contaminated 21-cm maps

Current and upcoming 21-cm experiments will soon be able to map 21-cm spatial fluctuations in three dimensions for a wide range of redshifts. However, bright foreground contamination and the nature of radio interferometry create significant challenges, making it difficult to access rich cosmological information from the Fourier modes that lie within the “foreground wedge”. Here, in this work, we introduce two approaches aiming to reconstruct the full 21-cm density field, including the missing modes in the wedge: (a) a field-level inference under an effective field theory (EFT) framework; (b) a diffusion-based deep generative model trained on simulations. Under the EFT framework, we implement a fully differentiable forward model that maps the initial conditions of matter fluctuations to the observed, foreground-filtered 21-cm maps. This enables a gradient-based sampler to simultaneously sample the initial conditions and bias parameters, allowing a physically motivated mode reconstruction. Alternatively, we apply a variational diffusion model to perform 21-cm density reconstruction at the map level. Our model is trained on semi-numerical simulations over a wide range of astrophysical parameters. Our results from both approaches should provide improved cosmological constraints from the field level and also enable cross-correlation between experiments that have little or no overlapping modes.

cosmological perturbation theory↗

Cosmic-ray acceleration during the impact of shocks on dense clouds

In order to elucidate the properties of diffusive shock acceleration in nonuniform environments, an extensive set of simulations of the dynamical interactions between plane nonradiative shocks and dense gas clouds was carried out initially in static equilibrium with their environments. These time-dependent calculations are based on the two-fluid model for diffusive cosmic ray transport, and include the dynamically active energetic proton component of the cosmic rays as well as passive electron and magnetic field components. Except when the incident shock is itself already dominated by cosmic ray pressure, it is found that the presence of the cloud adds little to the net acceleration efficiency of the original shock and can, in fact, reduce slightly the net amount of energy transferred to cosmic rays after a given time. It is found that, in 2D cloud simulations, the always-weak bow shock and the shock inside the cloud are less important to acceleration during the interaction than the tail shock.

Jones, T. W.↗

Planar Strain-Rate-Free Diffusion Flames: Initiation, Properties, and Extinction

An effectively strain-rate-free diffusion flame constitutes the most vigorous laminar combustion of initially unmixed reactive gases. Such a diffusion flame is characterized by a relatively long residence time and by a relatively large characteristic length scale. If such a flame were also planar, providing high symmetry, it would be particularly suitable for experimental and theoretical investigations of key combustion phenomena, such as multicomponent diffusion, chemical kinetics, and soot inception, growth, and oxidation. Unfortunately, a planar strain-rate-free diffusion flame is highly disrupted in earth-gravity (e.g., in a counterflow-diffusion-flame apparatus) because of the very rapid onset (approx. 100 ms) of gravity-induced instability. Accordingly, a specially dedicated apparatus was designed, fabricated, and initially checked out for the examination of a planar strain-rate-free diffusion flame in microgravity. Such a diffusion flame may be formed within a hollowed-out squat container (initially configured as 25 cm x 25 cm x 9 cm), with isothermal, noncatalytic, impervious walls. At test initiation, a thin metallic sheet (approx. 1 mm in thickness) that separates the internal volume into two equal portions, each of dimensions 25 cm x 25 cm x 4.5 cm, is withdrawn, by uniform translation (approx. 50 cm/s) in its own plane, through a tightly fitting slit in one side wall. Thereupon, diluted fuel vapor (initially confined to one half-volume of the container) gains access to diluted oxygen (initially with the same pressure, density, and temperature as the fuel, but initially confined to the other half-volume). After a brief delay (approx. 10 ms), to permit limited but sufficient-for-flammability diffusional interpenetration of fuel vapor and oxidizer, burning is initiated by discharge of a line igniter, located along that side wall from which the trailing edge of the separator withdraws. The ignition spawns a triple-flame propagation across the 25 cm x 25 cm centerplane. When a diffusion flame is emplaced in the centerplane, any subsequent travel, and change in temperature, of that planar diffusion flame may be tracked, along with the effectively spatially uniform but temporally evolving pressure within the container. Eventually, nearly complete depletion of the stoichiometrically deficient reactant, along with heat loss to the container surfaces, effects extinction. These data afford an opportunity to check theoretical models of diffusion and chemical kinetics under conditions ranging from intense burning to flame out, or, alternatively, to evolve simple empirical representations of these phenomena. Thus, the project sought to utilize microgravity testing to elucidate commonly encountered phenomenology, arising in the commonly-encountered mode of combustion (whether related to heating, manufacturing, boiling, and propulsion, or to uncontrolled, free-burning fire in structures and wildland vegetation), of those commonly utilized fuels usually categorized as gaseous fuels (such as hydrogen, natural gas, and propane, which are gaseous under atmospheric conditions).

Fendell, Francis↗

Analysis of models for two solution crystal growth problems

Two diffusive solution crystal growth models are considered which are characterized by two phases separated by an interface, a lack of convective mixing in either phase, and the presence of diffusion components differing widely in diffusivity. The first model describes precipitant-driven solution crystal growth and the second model describes a hanging drop evaporation problem. It is shown that for certain proteins sharp concentration gradients may develop in the drop during evaporation, while under the same conditions the concentrations of other proteins remain uniform.

Fehribach, Joseph D.↗

Impact of multi-component diffusion in turbulent combustion using direct numerical simulations

This study presents the results of DNS of a partially premixed turbulent syngas/air flame at atmospheric pressure. The objective was to assess the importance and possible effects of molecular transport on flame behavior and structure. To this purpose DNS were performed at with two proprietary DNS codes and with three different molecular diffusion transport models: fully multi-component, mixture averaged, and imposing the Lewis number of all species to be unity.

10 SYNTHETIC FUELS↗

Interactions of mobile helium clusters with surfaces and grain boundaries of plasma-exposed tungsten

We report results of atomistic computations for the interactions of small mobile helium clusters (He{sub n}) with free surfaces and grain boundaries (GBs) in tungsten toward development of continuum drift-diffusion-reaction models for the dynamics of mobile helium clusters in plasma-exposed tungsten. Molecular-statics (MS) simulations based on reliable many-body interatomic potentials are carried out for He{sub n} (1 ≤ n ≤ 7) clusters near sinks to obtain the potential energy profiles of the He{sub n} clusters as a function of the clusters' center-of-mass distance from a sink. Sinks investigated include surfaces, GBs, and regions in the vicinity of junctions where GBs intersect free surfaces. Elastic interaction potentials based on elastic inclusion theory provide an excellent description of the MS results for the cluster-sink interactions. The key parameter in the elastic models is the sink segregation strength, which is found to increase with increasing cluster size. Such cluster-sink interactions are responsible for the migration of small helium clusters by drift and for helium segregation on surfaces and grain boundaries in tungsten. Such helium segregation on sinks is observed in large-scale molecular-dynamics simulations of helium aggregation in model polycrystalline tungsten at 933 K upon helium implantation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Observations of spatial structure in the soft X-ray diffuse flux.

Repeated observations of a diffuse source in the region of about 200 deg and +10 deg galactic longitude and latitude, respectively, illustrate the complexity of the low-energy X-ray background. The source is not well correlated with known objects or features, and cannot be explained by geometrically simple models of diffuse emission. The measurements indicate that this emission feature, and by implication a large fraction of the 1/4-keV flux observed in the galactic plane, probably originates outside the solar system.

Bunner, A. N.↗

Effect of burst and recombination models for Monte Carlo transport of interacting carriers in a-Se x-ray detectors on Swank noise

Purpose: The authors describe the modification to a previously developed Monte Carlo model of semiconductor direct x-ray detector required for studying the effect of burst and recombination algorithms on detector performance. This work provides insight into the effect of different charge generation models for a-Se detectors on Swank noise and recombination fraction. Methods: The proposed burst and recombination models are implemented in the Monte Carlo simulation package, ARTEMIS, developed byFang et al. [“Spatiotemporal Monte Carlo transport methods in x-ray semiconductor detectors: Application to pulse-height spectroscopy in a-Se,” Med. Phys. 39(1), 308–319 (2012)]. The burst model generates a cloud of electron-hole pairs based on electron velocity, energy deposition, and material parameters distributed within a spherical uniform volume (SUV) or on a spherical surface area (SSA). A simple first-hit (FH) and a more detailed but computationally expensive nearest-neighbor (NN) recombination algorithms are also described and compared. Results: Simulated recombination fractions for a single electron-hole pair show good agreement with Onsager model for a wide range of electric field, thermalization distance, and temperature. The recombination fraction and Swank noise exhibit a dependence on the burst model for generation of many electron-hole pairs from a single x ray. The Swank noise decreased for the SSA compared to the SUV model at 4 V/μm, while the recombination fraction decreased for SSA compared to the SUV model at 30 V/μm. The NN and FH recombination results were comparable. Conclusions: Results obtained with the ARTEMIS Monte Carlo transport model incorporating drift and diffusion are validated with the Onsager model for a single electron-hole pair as a function of electric field, thermalization distance, and temperature. For x-ray interactions, the authors demonstrate that the choice of burst model can affect the simulation results for the generation of many electron-hole pairs. The SSA model is more sensitive to the effect of electric field compared to the SUV model and that the NN and FH recombination algorithms did not significantly affect simulation results.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗