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At least 1,063 records · Page 59

A preliminary sensitivity analysis of the coupled diffusion and chemistry model

The sensitivity of the coupled chemistry/diffusion model's outputs to a wide range of variation of the model's independent variables has been investigated. It is shown that the efficiency with which the now catalytic cycle destroys ambient O3 is extremely sensitive to the amount of NO emitted and to the relative rates of turbulent diffusion and chemical reactions. For representative conditions in the stratosphere, a tenfold variation of either the turbulence intensity or the reaction rate constant or the source strength can vary the efficiency from 1% to 50%. If the duration of Phase 3 is a significant fraction of the total residence time of the plume, then these efficiency variations can alter O3 depletion rates by more than a factor of two. These results, therefore, point toward those variables which must be accurately defined or measured if one is to adequately predict the effect of SST operations on the ambient inventory of O3 in the lower stratosphere.

Hilst, G. R.↗

Auroral energy deposition and neutral composition changes observed simultaneously by ESRO 4 and AE-C at different altitudes

Neutral composition data obtained simultaneously from ESRO 4 and AE-C during geomagnetically disturbed conditions at different altitudes (160 and 230 km) are used to investigate the atmospheric response to geomagnetic storms and to infer information regarding the excitation mechanism. The data are compared with a theoretical model that estimates the composition effects in terms of wind induced diffusion. A parametric study was conducted bearing on the influence of energy deposition at different altitudes and with varying latitudinal extent. In one of the observed events the composition effects at 160 km are substantially smaller than at 230 km for which we inferred by comparison with the theory that the energy mainly was deposited at 150 km altitude over a wide latitude range. Another event required energy deposition at somewhat lower altitudes near 120 km with a more localized energy source. Significant variations of the turbopause level were not necessary to explain the observed variations.

Trinks, H.↗

Fundamentals of dendritic solidification. I - Steady-state tip growth. II - Development of sidebranch structure

Systematic measurements of dendrite tip radius and growth velocity in succinonitrile reveal that consideration of dendrite tip stability should be incorporated into the heat transfer theory to determine the steady-state dendritic growth condition. The dendritic stability criterion measured is 2 alpha d0/VR squared = 0.0195, where V is the dendritic growth velocity, R is the dendritic tip radius, alpha is the liquid thermal diffusivity, and d0 is a capillary length defined in the text. Several dendritic stability models are reviewed and discussed in comparison to the present experimental results.

Huang, S.-C.↗

Numerical Analysis of Temperature Gradients and Interface Shape During Directional Solidification of Al and Al-Cu Alloy Under Microgravity Conditions

Numerical modeling was undertaken to analyze the influence of radial thermal gradient on solid/liquid interface shape and convection patterns during solidification of pure Al and Al-4 wt. % Cu alloy. Steady state calculations were performed for different gravity levels and orientations. Furthermore, transient modeling was undertaken to investigate effect of the solidification velocity. The furnace configuration used in this analysis is the proposed International Space Station Furnace. Results from a thermal model of the furnace core were used as initial boundary conditions for solidification modeling. The Solidification model was adopted from previous work and was based on the finite element code FIDAP. Thermocouple data and quenched interface shape from a pure Al sample flown on the Life Sciences and Microgravity Spacelab (LMS) mission, July 1996 was used for model validation. Good agreement was obtained between the predicted interface shape and that measured from the quenched LMS sample. It was found that the imposed temperature boundary condition must be sufficiently smooth for the heat fluxes in the model to be self-consistent. The model predicted that alloy sample Al-Cu is more sensitive to variations in the gravity level compared to pure Al. For Al-Cu alloy, solute diffusivity is approximately 10(exp 4) times smaller than thermal diffusivity of pure Al. Hence, in a microgravity environment the weak convection has no measurable effect on the heat fluxes, but is still strong enough to affect concentration distribution. Since the alloy melting temperature is determined by concentration the interface shape depends on the level of convection. This was found not to be the case for pure metal.

Bune, Andris V.↗

Interpretation of Ion Irradiation and Neutron Irradiation Damage in Additively Manufactured 316 Stainless Steel using Multiscale Modeling

The accelerated adoption of nuclear energy necessitates advanced manufacturing technologies, such as additive manufacturing, to meet heightened supply chain requirements and support innovative reactor technologies. Due to the unique microstructural characteristics of additively manufactured materials under distinct solidification conditions, comprehensive evaluation of their performance in reactor environments is essential. The Advanced Materials and Manufacturing Technologies program under the Department of Energy's Office of Nuclear Energy focuses on understanding the irradiation performance and damage evolution of laser powder bed fusion 316 stainless steel, with an emphasis on integrating ion and neutron irradiation data to accelerate the development and qualification of materials for advanced nuclear reactor applications. While ion irradiation is a cost- and time-effective method, modeling and simulation are required to interpret the data for the broader range of irradiation conditions encountered in advanced reactors. In fiscal year 2025, integrated multiscale modeling and simulations were conducted to assess irradiation damage in additively manufactured 316 stainless steel. Key outcomes include predictions of chromium enrichment at grain boundaries, nickel enrichment at dislocation cell walls and void surfaces, and heterogeneous void evolution under ion and neutron irradiation conditions. Cluster dynamics simulations revealed the coarsening of voids at high irradiation temperatures and the suppression of void growth by high network dislocation density, while also demonstrating significant growth and coarsening of voids and self-interstitial atom loops at low dose rates. Machine learning-accelerated atomistic simulations highlighted the impact of the local environment and chromium concentration on vacancy diffusivity, providing key insights on the influence of composition on void swelling and radiation-induced segregation. Additionally, molecular dynamics simulations demonstrated the presence of defect production bias and a significant effect of carbon content on defect cluster behavior. These combined efforts aim to predict the performance of additively manufactured materials under various reactor conditions, supporting their qualification for nuclear reactor applications by interpreting ion irradiation data. This report underscores the potential of integrated multiscale modeling to analyze ion irradiation data in the effort to accelerate the qualification of additively manufactured materials for nuclear reactor components.

316 stainless steel↗

Verification and validation of a rapid heat transfer calculation methodology for transient melt pool solidification conditions in powder bed metal additive manufacturing

A fundamental understanding of spatial and temporal thermal distributions is crucial for predicting solidification and solid-state microstructural development in parts made by additive manufacturing. While sophisticated numerical techniques that are based on finite element or finite volume methods are useful for gaining insight into these phenomena at the length scale of the melt pool (100 - 500 µm), they are ill-suited for predicting engineering trends over full part cross-sections (> 10 x 10 cm) or many layers over long process times (> many days) due to the necessity of fully resolving the heat source characteristics. On the other hand, it is extremely difficult to resolve the highly dynamic nature of the process using purely in-situ characterization techniques. This article proposes a pragmatic alternative based on a semi-analytical approach to predicting the transient heat conduction during powder bed metal additive manufacturing process. The model calculations were theoretically verified for selective laser melting of AlSi10Mg and electron beam melting of IN718 powders for simple cross-sectional geometries and the transient results are compared to steady state predictions from the Rosenthal equation. It is shown that the transient effects of the scan strategy create significant variations in the melt pool geometry and solid-liquid interface velocity, especially as the thermal diffusivity of the material decreases and the pre-heat of the process increases. With positive verification of the strategy, the model was then experimentally validated to simulate two point-melt scan strategies during electron beam melting of IN718, one intended to produce a columnar and one an equiaxed grain structure. Lastly, through comparison of the solidification conditions (i.e. transient and spatial variations of thermal gradient and liquid-solid interface velocity) predicted by the model to phenomenological CET theory, the model accurately predicted the experimental grain structures.

36 MATERIALS SCIENCE↗

Boundary conditions for the subdiffusion equation

The boundary conditions for the subdiffusion equations are formulated using the continuous-time random walk model, as well as several versions of the random walk model on an irregular lattice. It is shown that the boundary conditions for the same equation in different models have different forms, and this difference considerably affects the solutions of this equation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Geomechanics-Based Stochastic Analysis of Injection- Induced Seismicity

The production of geothermal energy from dry and low permeability reservoirs is achieved by water circulation in natural and/or man-made fractures, and is referred to as enhanced or engineered geothermal systems (EGS). Often, the permeable zones have to be created by stimulation, a process which involves fracture initiation and/or activation of discontinuities such as faults and joints due to pore pressure and the in-situ stress perturbations. The stimulation of a rock mass is often accompanied by multiple microseismic events. Micro-seismic events associated with rock failure in shear, and shear slip on new or pre-existing fracture planes and possibly their propagations. The microseismic signals contain information about the sources of energy that can be used for understanding the hydraulic fracturing process and the created reservoir properties. Detection and interpretation of microseismic events is useful for estimating the stimulated zone, created reservoir permeability and fracture growth, and geometry of the geological structures and the in-situ stress state. The process commonly is referred to as seismicity-based reservoir characterization (SBRC). Although, progress has been made by scientific & geothermal communities for quantitative and qualitative analysis of reservoir stimulation using SBRC several key questions remain unresolved in the analysis of micro-seismicity namely, variation of seismic activity with injection rate, delayed micro-seismicity, and the relation of stimulated zone to the injected volume and its rate, and the resulting reservoir permeability. In addition, the current approach to SBRC does not consider the full range of relevant poroelastic and thermoelastic phenomena and neglects the uncertainty in rock properties and in-situ stress in the data inversion process. The objective of this research and technology developments was to develop a 3D SBRC model that addresses these shortcomings by taking into account hydro-thermo-poro-mechanical mechanisms associated with injection and utilizing a state-of-the-art stochastic inversion procedure. The approach proposed herein is innovative and significantly improves the existing SBCR technology (e.g., Shapiro et al. 2003) for geothermal reservoirs in several ways. First, the current scope of the SBRC is limited with respect to the physical processes considered and the rock properties used. Usually, the geomechanics analyses within SBRC is limited to the pore pressure diffusion in the rock mass, which is modeled using a time-dependent parabolic equation and solved using a finite element algorithm with either a line or a point source. However, water injection induces both poroelastic and thermoelastic stresses in the rock mass which affect the stress state. In fact, it has been suggested that thermoelastic stresses can play a dominant role in reservoir seismicity (Ghassemi et al., 2007). We include these important effects by using a fully-coupled poro-thermoelastic constitutive equations for the rock mass which will be solved using a 3D finite element model with more realistic injection geometries such as multiple injection/extraction sources (and in fractures), uncertainty in the material parameters and the in-situ stress distribution to better reflect the pore pressure and stress distributions. In addition, we developed a 3D stochastic fracture network model to study MEQ generation in fracture rocks. The model was verified using laboratory experiments, and calibrated and applied to Newberry EGS stimulation. In previous SBRC approaches, the triggering of micro-seismicity is modeled base on the assumption that the prior stochastic criticality model of the rock mass is a valid and adequate description. However, this assumption often does not hold in the field. Thus, we improved upon the current SBRC approach by using the micro-seismic responses to estimate the hydraulic diffusivity as well as the criticality distribution itself within the field. In this way, instead of relying on our a priori knowledge of criticality distribution, we combine an initial probabilistic description of criticality with the information contained in microseismic measurements to arrive at criticality solutions that are conditioned on both field data and our prior knowledge. Previous SBRC have relied upon a deterministic inversion approach to estimate the permeability, and the extent of the stimulated zone, whereas a stochastic inversion algorithm that recognizes and quantifies the uncertainties in the prior model, the time evolution of pore pressure distributions (modeling errors), and the observed seismic events is developed and used herein to realistically assess the quality of the solution. Finally, we developed a technique for processing discrete MEQ data to estimate fracture network properties such as dip and dip directions. The approach was successfully applied to the Fenton Hill HRD experiment and the Newberry EGS with results in good agreement with field observations.

15 GEOTHERMAL ENERGY↗

QUASI-STATIC MODEL OF MAGNETICALLY COLLIMATED JETS AND RADIO LOBES. II. JET STRUCTURE AND STABILITY

This is the second in a series of companion papers showing that when an efficient dynamo can be maintained by accretion disks around supermassive black holes in active galactic nuclei, it can lead to the formation of a powerful, magnetically driven, and mediated helix that could explain both the observed radio jet/lobe structures and ultimately the enormous power inferred from the observed ultrahigh-energy cosmic rays. In the first paper, we showed self-consistently that minimizing viscous dissipation in the disk naturally leads to jets of maximum power with boundary conditions known to yield jets as a low-density, magnetically collimated tower, consistent with observational constraints of wire-like currents at distances far from the black hole. In this paper we show that these magnetic towers remain collimated as they grow in length at nonrelativistic velocities. Differences with relativistic jet models are explained by three-dimensional magnetic structures derived from a detailed examination of stability properties of the tower model, including a broad diffuse pinch with current profiles predicted by a detailed jet solution outside the collimated central column treated as an electric circuit. We justify our model in part by the derived jet dimensions in reasonable agreement with observations. Using these jet properties, we also discuss the implications for relativistic particle acceleration in nonrelativistically moving jets. The appendices justify the low jet densities yielding our results and speculate how to reconcile our nonrelativistic treatment with general relativistic MHD simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

RELAP5-3D Modeling of High Temperature Test Facility (HTTF) Test PG-26

The High Temperature Test Facility (HTTF) at Oregon State University (OSU) is a scaled integral effects experiment designed to investigate transient behavior in high-temperature gas-cooled nuclear reactors with prismatic fuel and reflector blocks. Several tests have been completed, and more are still planned to at the HTTF, including depressurized conduction cooldown (DCC) and pressurized conduction cooldown (PCC) transients. This report analyses test PG-26, a progression of the Double Ended Inlet-Outlet Crossover Duct Break transient that is referred to as a DCC. PG-26 has been performed at the HTTF between May 30 and June 30, 2019. Core initial conditions (i.e., before the DCC started) have been met using low power (<100 kW) and two of ten available electric heaters. The DCC transient was initiated during the 50 th hour of the test. The break valves were opened, and hot helium from the core and cold helium from the reactor cavity simulation tank (RCST) started mixing. The gases flowed in a countercurrent fashion, where the top half of the hot duct contained hot helium that flowed in one direction and cold helium that flowed in the other direction in the bottom half of the duct. After the pressure and density reached equilibrium, the event entered a diffusion mode. The onset of a reverse natural circulation was not observed during the DCC period of the test. Version 4.4.2ie of the RELAP5-3D computer code has been used to model the HTTF PG-26 test, and results have been compared to available high-quality measured data. The model used in this study is the quality-controlled HTTF RELAP5-3D model (HTTF base 2018-04-19 QA), originally developed by P. Bayless. The report includes RELAP5-3D results of the “base calculations” as well as some sensitivities to important uncertain model inputs, such as primary helium mass flow rate, core ceramic thermal properties, as well as heat evacuation and loop friction models. Using the base RELAP5-3D model predicts a countercurrent helium flow in the hot duct observed at the beginning of the DCC, but instead of going into a molecular diffusion mode, the model predicts the onset of natural convection. Increasing friction in the core and hot duct prevents the natural convection from happening in some of the simulations. Although some temperatures are well predicted (and even overpredicted), the general tendency is to underpredict the ceramic and helium temperatures and heat removal rates during the DCC, resulting in many of the assessment findings being in minimal or insufficient agreement with the data. It is worth noting that the described discrepancies between measured data and RELAP5-3D predictions are not RELAP5-3D code limitations. More so, they reflect limitations in boundary condition and thermal property knowledge. While the RELAP5-3D calculations of the test provide some insights into what happens during the transient, and point to missing or potentially uncertain data to which the experimenters can direct their attention, the principal conclusion is that the PG-26 test data are insufficient for a system code assessment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Chemical explosive mode analysis of lean blowout in a gas turbine combustor

In this study, stabilization and lean blowout (LBO) mechanisms in a gas turbine combustor are numerically studied based on large eddy simulation (LES) data and the chemical explosive mode analysis (CEMA). Three CEMA-based local combustion modes, that is, auto-ignition, diffusion-assisted ignition, and extinction, are employed to quantify interactions between local diffusion and chemical processes in complex turbulent fields. The capability of CEMA-based local modes in extinction detection is first demonstrated in a one-dimensional non-premixed flamelet undergoing transient extinction. Flame structure and dynamics in the gas turbine combustor are then examined in detail using CEMA and the local combustion modes for both the stably burning and lean blowout conditions. Local structure comprised of all the three modes are identified, and each mode is found to play an important role in determining the overall burning rate. The heat release rate attributed to each local mode remains nearly constant at the stably burning condition. In contrast, the flame during LBO shows a two-stage extinction behavior: at the initial stage, the extinction mode is largely enhanced and becomes dominant over the assisted-ignition model; at the second stage, all three modes are suppressed, signifying global extinction. It is therefore suggested that the excessive local extinction mode, due to an increased amount of heat and radical losses through diffusion, finally leads to lean flame blowout.

chemical explosive mode↗

Vertical dispersion in vegetated shear flows

Canopy layers control momentum and solute transport to and from the overlying water surface layer. These transfer mechanisms strongly dependent on canopy geometry, affect the amount of solute in the river, the hydrological retention and availability of dissolved solutes to organisms located in the vegetated layers, and are critical to improve water quality. In this work, we consider steady state transport in a vegetated channel under fully developed flow conditions. Under the hypothesis that the canopy layer can be described as an effective porous medium with prescribed properties, i.e., porosity and permeability, we model solute transport above and within the vegetated layer with an advection-dispersion equation with a spatially variable dispersion coefficient (diffusivity). By means of the Generalized Integral Transform Technique , we derive a semianalytical solution for the concentration field in submerged vegetated aquatic systems. We show that canopy layer’s permeability affects the asymmetry of the concentration profile, the effective vertical spreading behavior, and the magnitude of the peak concentration. Due to its analytical features, the model has a low computational cost. The proposed solution successfully reproduces previously published experimental data.

54 ENVIRONMENTAL SCIENCES↗

Analytical models of axisymmetric reaction–diffusion phenomena in composite media

Reaction–diffusion equations describe a number of physical, chemical, and biological phenomena, many of which occur in composite environments with piece-wise constant diffusion coefficients. In this work, we develop semi-analytical solutions of axisymmetric reaction–diffusion equations with first-order reaction kinetics and continuous transient boundary conditions. These solutions are directly applicable to heat conduction in composite media with transient boundary conditions and heat generation. The solutions lose their robustness in the long time regime, when the Laplace variable tends to zero. Lastly, this limitation is overcome by the use of corresponding steady-state solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pulsating Poiseuille flow of a cement slurry

In this paper, we investigate the pulsatile flow of a cement slurry in a pipe. The constitutive relation for the viscous stress tensor is based on the power-law model, where the shear viscosity not only depends on the shear rate but also the volume fraction of the cement particles. To solve for the volume fraction field, a convection-diffusion equation is used. The dimensionless form of the governing equations and the boundary conditions are solved numerically at different pulsatile cycles. Further, a parametric study is conducted to study the effect of different dimensionless numbers at different cycles on the velocity and the volume fraction profiles.

36 MATERIALS SCIENCE↗

On the high-temperature stability of the Al 8 Cu 3 Ce intermetallic in an additively manufactured Al-Cu-Ce-Zr alloy

High-temperature resistant eutectic Al alloys are crucial materials for lightweight and energy efficient design in the automotive and aviation industries. Additive manufacturing offers a pathway to refine eutectic microstructures and develop novel alloys with superior high-temperature strength. High-volume fraction intermetallic Al-Cu-Ce alloys have been developed to deliver high-temperature strength in combination with reduced hot-tearing susceptibility. Zr is added to provide additional strengthening via nanoscale Al 3 Zr precipitation, and to stabilize and avoid coarsening of the Al 8 Cu 3 Ce phase. However, the detailed interaction between Zr and Al 8 Cu 3 Ce remains unexplored. In this work, we show with synchrotron X-ray diffraction that laser powder bed fusion fabricated Al-Cu-Ce and Al-Cu-Ce-Zr alloys contain predominantly the Al 8 Cu 3 Ce intermetallic in the as-fabricated condition. Heat treatment of the Al-Cu-Ce alloy results in the Al 8 Cu 3 Ce → Al 8 Cu 4 Ce phase transformation. In the Al-Cu-Ce-Zr alloy, minor fractions of (Al,Cu,Si) 4 Ce and Al 2 Cu-θ are found in the as-fabricated condition, while Al 8 Cu 3 Ce remains stable during heat treatment. Atom probe microscopy quantifies intermetallic stoichiometries and reveals how Zr is enriched at the Al-matrix/Al 8 Cu 3 Ce interface acting as a diffusion barrier against solute exchange. Calibrated thermodynamic modeling underpins this as a kinetic effect. Here, a qualitative microstructural model summarizes, how Zr stabilizes Al 8 Cu 3 Ce against phase transformations and coarsening.

36 MATERIALS SCIENCE↗

Methodology to predict annual yield losses and gains caused by solar module design and materials under field exposure

Solar cells and modules are usually optimized separately under standard test conditions (STC). However, the actual performance under field exposure depends on module design, installation and environmental conditions. This work therefore presents a methodology to predict the annual yield of crystalline silicon solar modules for varying module configurations and environments using a time step simulation approach. We define and quantify 12 effects that affect the annual module performance, starting with solar cells in air under STC to a complete module under realistic conditions. We consider the interaction of optical, thermal and electrical effects in the module and combine it with an angular, spectral and time resolved light source. The model enables understanding the impact of the module environment, such as regions with high wind speeds or high diffuse light, on the annual output of a particular module type. We validate our model with measured power and temperature data for crystalline silicon heterojunction solar cell modules and find an agreement of the annual yield within 0.7%. We quantify the annual gains and losses for this module and identify that major losses are caused by elevated operating temperatures (2.3%) and reflection losses at the front glass (2.6%). Critically, the coupling gains at the cell surface increase significantly by 1.5% when considering angular light irradiance compared to normal incidence. To conclude, we apply our Cell-to-Module-Yield method to a 72-cell mono-crystalline PERC module, where the main annual yield losses are caused by reflection at the front glass and ohmic losses in the connector ribbons.

14 SOLAR ENERGY↗

Multiscale Multiobjective Systems Analysis (MiMoSA): an advanced metabolic modeling framework for complex systems

Abstract In natural environments, cells live in complex communities and experience a high degree of heterogeneity internally and in the environment. Even in ‘ideal’ laboratory environments, cells can experience a high degree of heterogeneity in their environments. Unfortunately, most of the metabolic modeling approaches that are currently used assume ideal conditions and that each cell is identical, limiting their application to pure cultures in well-mixed vessels. Here we describe our development of Multiscale Multiobjective Systems Analysis (MiMoSA), a metabolic modeling approach that can track individual cells in both space and time, track the diffusion of nutrients and light and the interaction of cells with each other and the environment. As a proof-of concept study, we used MiMoSA to model the growth of Trichodesmium erythraeum , a filamentous diazotrophic cyanobacterium which has cells with two distinct metabolic modes. The use of MiMoSA significantly improves our ability to predictively model metabolic changes and phenotype in more complex cell cultures.

09 BIOMASS FUELS↗

Isothermal dehydration of thin films of water and sugar solutions

The process of quasi-isothermal dehydration of thin films of pure water and aqueous sugar solutions is investigated with a dual experimental and theoretical approach. A nanoporous paper disk with a homogeneous internal structure was used as a substrate. This experimental set-up makes it possible to gather thermodynamic data under well-defined conditions, develop a numerical model, and extract needed information about the dehydration process, in particular the water activity. It is found that the temperature evolution of the pure water film is not strictly isothermal during the drying process, possibly due to the influence of water diffusion through the cellulose web of the substrate. The role of sugar is clearly detectable and its influence on the dehydration process can be identified. At the end of the drying process, trehalose molecules slow down the diffusion of water molecules through the substrate in a more pronounced way than do the glucose molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗