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At least 1,621 records · Page 90

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DOE OSTI2016

Thermal–hydraulic–mechanical modeling of a large-scale heater test to investigate rock salt and crushed salt behavior under repository conditions for heat-generating nuclear waste

The Thermal Simulation for Drift Emplacement heater test is modeled with two simulators for coupled thermal-hydraulic-mechanical processes. Results from the two simulators are in very good agreement. The comparison between measurements and numerical results is also very satisfactory, regarding temperature, drift closure and rock deformation. Concerning backfill compaction, a parameter calibration through inverse modeling was performed due to insufficient data on crushed salt reconsolidation, particularly at high temperatures. We conclude that the two simulators investigated have the capabilities to reproduce the data available, which increases confidence in their use to reliably investigate disposal of heat-generating nuclear waste in saliferous geosystems.

58 GEOSCIENCES↗

DOE OSTI2019

Geant4-based multiphysics simulation toolkit for analysis of radiation detector performance

Often only a single physical process or component is investigated in the simulation of radiation detector systems. The results are then considered to be representative of what is expected in the correlating physical experiment. Although singular assessments may serve as a good estimate, the overall performance of a radiation detector system depends on several physical processes and the performance of all components within the system. Our Geant4-based multiphysics simulation toolkit couples radiation transport with optical photon processes, providing simulations of radiation detector systems components from the scintillator through the photocathode of the photodetector. Work to incorporate the back-end detector components, including the complete photodetector and subsequent electronics (e.g., amplifiers, digitizers), is underway. Geant4 is used to model the radiation transport and optical photon processes that occur in the front-end detector system components when exposed to a chosen source. These components include the scintillator, detector housing, optical coupling to the photodetector, and photocathode of the photodetector. Characteristics of several detector systems that have been studied include time response; pulse height spectra; number of photoelectrons per MeV; detector efficiency versus incident quanta energy; and effects on detector response due to change in geometries, materials, and reflectivity. Comparison of these characteristics by means of this toolkit enables the selection of the optimal individual components; thus, it is possible to specify the radiation detector system best suited to meet the requirements of any physical experiment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI1961

Laboratory Development of a Pot Calcination Process for Converting Liquid Wastes to Solids

Simulated Darex, Purex, Thorex, and TBP-25 wastes were batch-evaporated and calcined to solids. The weight of residue was decreased to ~ 8% of the original waste for Darex, to ~ 4% for Purex, to ~ 2% for Thorex, and ~ 7% for TBP-25 by calcination to 1200°C. Semicontinuous evaporation and calcination to solids at 900°C of Darex and Purex wastes gave volume reduction factors of ~ 8 and 7 to 10, respectively. The nitrate contents of the residues from batch calcination to 800°C were from ~ 0.07 to 0.5 wt % while the nitrate contents of the residues from semicontinuous calcination to 900°C were from ~ 0.1 to 0.7 wt %. Sodium, calcium, and magnesium additives to Purex waste decreased the percent of sulfate volatilized into the condensate from ~ 30% to <0.5%. Replacement of the atmosphere above the waste with nitric oxide decreased ruthenium volatility from 50 to 60% of that originally present in Purex waste to 0.5 to 3.5%. The thermal conductivities for the calcined wastes, measured in situ, were all >0.1 Btu/hr ft °F at ~ 400°F and increased almost linearly with increasing temperature to >0.3 Btu/hr ft °F at ~ 1600°F in all cases studied.

052001* -- Nuclear Fuels-- Waste Processing↗

DOE OSTI2020

Quantitative Analysis of the Effects of Natural and Human Factors on a Hydrological System in Zhangweinan Canal Basin

Drought is a water deficit state caused by large-scale climate change that cannot be avoided by a water resource management system. Water scarcity refers to the unsustainable utilization of water resources over a long time, which is the result of water management policies. However, water deficits caused by drought and water scarcity often occur simultaneously and are indistinguishable. This study proposes a model-based simulation framework that can quantitatively distinguish natural factors (drought) from human factors (water scarcity) in a hydrological system. The simulation was applied to the Zhangweinan Canal Basin, based on the runoff sequences from 1950 to 2004. The results show that the runoff curve number, soil depth, soil available water, soil evaporation compensation coefficient, base runoff α coefficient and the maximum canopy interception have the highest sensitivity to runoff, and that the calibrated and validated SWAT model can effectively simulate the runoff process in the Zhangweinan Canal Basin and similar areas. Abrupt changes in human activities in 1975 and water scarcity led to the disappearance of the summer peak runoff period in both wet and dry years. Human factors are the main reason for the change in the hydrological system in the study area; the runoff loss caused by human factors is four times that caused by natural factors according to the proposed variable threshold. This study proposes a model-based simulation framework that can help water resource managers to distinguish the effects of drought and water scarcity in water-stressed areas and adjust management accordingly.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Intelligent Experiments Through Real-time AI: Fast Data Processing and Autonomous Detector Control for sPHENIX and Future EIC Detectors (Final Report)

The overall vision of this project was to integrate real-time artificial intelligence (AI) directly into the data acquisition and detector-control systems of nuclear physics experiments, including both fast online event selection and an autonomous detector-control feedback loop. The work carried out under the award focused on the fast online event-selection half of that vision: the efficient recording of low-momentum heavy-flavor (HF) hadron decays in proton-proton collisions at the sPHENIX experiment at the Relativistic Heavy Ion Collider (RHIC)—an observable that requires fast tracking and topological trigger selection not previously demonstrated at RHIC, and that is essential for QCD studies at future facilities such as the Electron-Ion Collider (EIC). The autonomous detector-control (GPU-based feedback) component named in the project title remained a design concept and was not implemented under this award. The Massachusetts Institute of Technology (MIT) group led the offline simulation and data processing needed to train the machine-learning (ML) models, the translation of trained models to Field-Programmable Gate Array (FPGA) firmware using the hls4ml framework, and the physics validation of heavy-flavor reconstruction. Over the award period, the team developed and hardware-tested the principal components of an AI-based heavy-flavor trigger on simulated and recorded sPHENIX tracker data: a software Bipartite Graph Attention Network (BiGAT) trigger model reaching > 95% signal efficiency at 99% background rejection; an FPGA-native hit clusterizer matching the offline clustering; smaller networks synthesized to FPGA within the required sub-10 µs latency; and an assembled decoder–clusterizer–inference firmware chain exercised on the FELIX readout board. A complete, fully integrated hardware demonstrator was not finished within the award period. This report documents the project goals, the MIT group’s contributions, the technical accomplishments, and the outlook toward applications at the future EIC ePIC detector.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2013

Westinghouse Waste Simulation and Optimization Software Tool - 13493

Radioactive waste is produced during NPP operation and NPP D and D. Different kinds of waste with different volumes and properties have to be treated. Finding a technically and commercially optimized waste treatment concept is a difficult and time consuming process. The Westinghouse waste simulation and optimization software tool is an approach to study the total life cycle cost of any waste management facility. The tool enables the user of the simulation and optimization software to plan processes and storage buildings and to identify bottlenecks in the overall waste management design before starting detailed planning activities. Furthermore, application of the software enables the user to optimize the number of treatment systems, to determine the minimum design capacity for onsite storage facilities, to identify bottlenecks in the overall design and to identify the most cost-effective treatment paths by maintaining optimal waste treatment technologies. In combination with proven waste treatment equipment and integrated waste management solutions, the waste simulation and optimization software provides reliable qualitative results that lead to an effective planning and minimization of the total project planning risk of any waste management activity. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2011

Adaptive mesh refinement for stochastic reaction-diffusion processes

We present an algorithm for adaptive mesh refinement applied to mesoscopic stochastic simulations of spatially evolving reaction-diffusion processes. The transition rates for the diffusion process are derived on adaptive, locally refined structured meshes. Convergence of the diffusion process is presented and the fluctuations of the stochastic process are verified. Furthermore, a refinement criterion is proposed for the evolution of the adaptive mesh. The method is validated in simulations of reaction-diffusion processes as described by the Fisher-Kolmogorov and Gray-Scott equations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Excitation of long electrostatic solitary waves in ion beam neutralization process

Unusually long electrostatic solitary waves (ESWs) are discovered in a particle-in-cell simulation study of the process of ion beam neutralization by electron emission from a filament. These ESWs are long because the density perturbation responses to the potential wells created by the ESWs are very small. Notably, the density perturbation is small because the trapped (positive) and untrapped (negative) electron density perturbations nearly compensate each other because of a non-Maxwellian electron velocity distribution in the beam.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

Single-Bubble Flow Boiling Phenomena - Interface Tracking Simulation

Boiling, as one of the most efficient heat transfer mechanisms, is widely used in various engineering systems. Better understanding and modeling of this process remains a major challenge in multiphase flow research. The distribution of vapor in boiling system affects the heat transfer rate and may cause unfavorable conditions, such as heater burn-out. A number of flow regimes have been observed experimentally. In general, there are three regimes under boiling conditions: nucleate boiling, transition boiling, and film boiling. The nucleate boiling regime is categorized into partial boiling regime and fully developed nucleate boiling, according to behavior of bubble dynamics and heat transfer characteristics. In the first region, as the wall temperature increases, the fraction of the wall surface subject to nucleate boiling increases until bubble formation occupies the entire heated surface. Heat transfer in this region is a complex mixture of single-phase forced convection and nucleate boiling. As bubble density increases, bubbles turn to coalesce and form insulating vapor patches, which impedes liquid flow back to the surface. The heat transfer rate under this condition reduces dramatically. This point is called Critical Heat Flux (CHF), which leads to boiling crisis. The behavior of boiling crisis is dependent on local fluid conditions due to bubble growth and departure. Experiments are the ultimate tool for boiling model development and verification, but they still lack some capabilities needed for better understanding of the local mechanism of this phenomena. It's difficult to capture many important details at the pressure/temperature conditions of interest using experimental techniques, such as full three dimensional measurements of velocity and temperature distribution and estimates of heat flux partitioning during the boiling process. The interface tracking simulation (ITS) is one of the promising approaches to describe heat transfer of boiling phenomena and their underlying mechanisms. The advances of high performance computing (HPC) in recent years made it possible to apply DNS to a wide variety of adiabatic flows. Some work has been done to implement evaporation / condensation models as well. Lee and Nydahl performed a numerical simulation of bubble growth and departure assuming that the bubble has the shape of a truncated sphere and a micro-layer exists during bubble growth. A 2-D cylindrical bubbles simulation has been done by Son with a simplified model to predict the heat flux in a thin liquid micro-layer. A direct simulation of 2D film boiling is conducted by Juric and Tryggvason. The film boiling, below critical pressure with a modified Level Set Method, is studied by Son and Dhir. Ose and Kunugi have developed a boiling and condensation model on subcooled boiling phenomena. Fuchs performed numerical simulations of bubble growth and departure considering wall conduction effects. Fully transient heat and fluid flow is modeled with a free surface of a rising bubble and a periodic calculation of the whole cycling of a growing, detaching, and rising bubble. Mukherjee and Kandikar have done a numerical simulation of an evaporating meniscus on a moving heated surface with level set method. The heat transfer associated with the advancing and receding contact angle has been studied. To develop the capability of physics-based boiling process, in the presented work the energy and momentum equations are coupled to simulate single-bubble growth scenarios. For a single bubble simulation in infinite liquid, the analytical solution exists and can be compared with the numerical results for verification purposes. The presented capabilities will be utilized in the large scale DNS of boiling flows in the future. The finite-element based code, PHASTA is used for the simulation. It is a parallel, hierarchic, higher-order accurate, adaptive, stabilized, transient analysis flow solver, which has been shown to be an effective tool for a wide range of single and two-phase flow problems. It has been shown to be highly scalable on top supercomputers ({approx}85% scaling on up to 3 million mesh partitions using a 92 billion element mesh . PHASTA has been shown to reliably predict the details of adiabatic bubbly flows as well as single-phase flows with heat transfer. To develop the capability of physics-based boiling process, in the presented work the energy and momentum equations are coupled to simulate a single-bubble growth scenario. For a single bubble growth in superheated water, the analytical solution exists and can be compared with the numerical results for verification purposes. The second-order accurate spatial and time discretization is used for the flow solver in the presented work. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2014

DOUBLE-DIFFUSIVE MIXING IN STELLAR INTERIORS IN THE PRESENCE OF HORIZONTAL GRADIENTS

We have identified a potentially important source of mixing in stellar radiation zones which would arise whenever two conditions are satisfied: (1) the presence of an inverse vertical compositional gradient, and (2) the presence of density-compensating horizontal gradients of temperature and composition. The former can be caused by off-center nuclear burning, atomic diffusion, or surface accretion. The latter could be caused by rotation, tides, meridional flows, etc. The linear instability and its nonlinear development have been studied in an oceanographic context. It is known to drive the formation of stacks of fingering layers separated by diffusive interfaces, called intrusions. Using three-dimensional numerical simulations of the process in the astrophysically relevant region of parameter space, we find similar results and demonstrate that the material transport in the intrusive regime can be highly enhanced compared with pure diffusion, even in systems which would otherwise be stable to fingering (thermohaline) convection.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

The Scattering Outcomes of Kepler Circumbinary Planets: Planet Mass Ratio

Recent studies reveal that the free eccentricities of Kepler-34b and Kepler-413b are much larger than their forced eccentricities, implying that scattering events may take place in their formation. The observed orbital configuration of Kepler-34b cannot be well reproduced in disk-driven migration models, whereas a two-planet scattering scenario can play a significant role of shaping the planetary configuration. These studies indicate that circumbinary planets discovered by Kepler may have experienced scattering process. In this work, we extensively investigate the scattering outcomes of circumbinary planets focusing on the effects of planet mass ratio . We find that the planetary mass ratio and the the initial relative locations of planets act as two important parameters that affect the eccentricity distribution of the surviving planets. As an application of our model, we discuss the observed orbital configurations of Kepler-34b and Kepler-413b. We first adopt the results from the disk-driven models as the initial conditions, then simulate the scattering process that occurs in the late evolution stage of circumbinary planets. We show that the present orbital configurations of Kepler-34b and Kepler-413b can be well reproduced when considering a two unequal-mass planet ejection model. Our work further suggests that some of the currently discovered circumbinary single-planet systems may be survivors of original multiple-planet systems. The disk-driven migration and scattering events occurring in the late stage both play an irreplaceable role in sculpting the final systems.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Fourier heat conduction as a phenomenon described within the scope of the second law

The historical development of the Carnot cycle necessitated the construction of isothermal and adiabatic pathways within the cycle that were also mechanically 'reversible' which lead eventually to the Kelvin-Clausius development of the entropy function S where for any reversible closed path C, ∮{sub C} dS = 0 based on an infinite number of concatenated Carnot engines that approximated the said path and where for each engine ΔQ{sub 1}/T{sub 1}+ΔQ{sub 2}/T{sub 2} = 0 where the Q's and T's are the heat absorption increments and temperature respectively with the subscripts indicating the isothermal paths (1;2) where for the Carnot engine, the heat absorption is for the diathermal (isothermal) paths of the cycle only. Since 'heat' has been defined as that form of energy that is transferred as a result of a temperature difference and a corollary of the Clausius statement of the Second law is that it is impossible for heat to be transferred from a cold to a hot reservoir with no other effect on the environment, these statements suggested that the local mode of transfer of 'heat' in the isothermal segments of the pathway does imply a Fourier heat conduction mechanism (to conform to the definition of 'heat') albeit of a 'reversible' kind, but on the other hand, the Fourier mechanism is apparently irreversible, leading to an increase in entropy of the combined reservoirs at either end of the material involved in the conveyance of the heat energy. These and several other considerations lead Benofy and Quay (BQ) to postulate the Fourier heat conduction phenomenon to be an ancillary principle in thermodynamics, with this principle being strictly local in nature, where the global Second law statements could not be applied to this local process. Here we present equations that model heat conduction as a thermodynamically reversible but mechanically irreversible process where due to the belief in mechanical time reversible symmetry, thermodynamical reversibility has been unfortunately linked to mechanical reversibility, that has discouraged such an association. The modeling is based on an application of a 'recoverable transition', defined and developed earlier on ideas derived from thermal desorption of particles from a surface where the Fourier heat conduction process is approximated as a series of such desorption processes. We recall that the original Carnot engine required both adiabatic and isothermal steps to complete the zero entropy cycle, and this construct lead to the consequent deduction that any Second law statement that refers to heat-work conversion processes are only globally relevant. Here, on the other hand, we examine Fourier heat conduction from MD simulation and model this process as a zero-entropy forward scattering process relative to each of the atoms in the lattice chain being treated as a system where the Carnot cycle can be applied individually. The equations developed predicts the 'work' done to be equal to the energy transfer rate. The MD simulations conducted shows excellent agreement with the theory. Such views and results as these, if developed to a successful conclusion could imply that the Carnot cycle be viewed as describing a local process of energy-work conversion and that irreversible local processes might be brought within the scope of this cycle, implying a unified treatment of thermodynamically (i) irreversible, (ii) reversible, (iii) isothermal and (iv) adiabatic processes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2011

Simulation of free-electron lasers seeded with broadband radiation

Not Available

Bajlekov, S. I.↗

DOE OSTI2018

Visualization of Dynamic Vortex Structures in Magnetic Films with Uniaxial Anisotropy (Micromagnetic Simulation)

Three-dimensional computer simulation of dynamic processes in a moving domain boundary separating domains in a soft magnetic uniaxial film with planar anisotropy is performed by numerical solution of Landau-Lifshitz-Gilbert equations. The developed visualization methods are used to establish the connection between the motion of surface vortices and antivortices, singular (Bloch) points, and core lines of intrafilm vortex structures. A relation between the character of magnetization dynamics and the film thickness is found. The analytical models of spatial vortex structures for imitation of topological properties of the structures observed in micromagnetic simulation are constructed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

How Galaxies Form Stars: The Connection between Local and Global Star Formation in Galaxy Simulations

Using a suite of isolated $L_\star$ galaxy simulations, we show that global depletion times and star-forming gas mass fractions in simulated galaxies exhibit systematic and well-defined trends as a function of the local star formation efficiency per freefall time, $\epsilon_{\rm ff}$, strength of stellar feedback, and star formation threshold. We demonstrate that these trends can be reproduced and explained by a simple physical model of global star formation in galaxies. Our model is based on mass conservation and the idea of gas cycling between star-forming and non-star-forming states on certain characteristic time scales under the influence of dynamical and feedback processes. Both the simulation results and our model predictions exhibit two limiting regimes with rather different dependencies of global galactic properties on the local parameters. When $\epsilon_{\rm ff}$ is small and feedback is inefficient, the total star-forming mass fraction, $f_{\rm sf}$, is independent of $\epsilon_{\rm ff}$ and the global depletion time, $\tau_{\rm dep}$, scales inversely with $\epsilon_{\rm ff}$. When $\epsilon_{\rm ff}$ is large or feedback is very efficient, these trends are reversed: $f_{\rm sf} \propto \epsilon_{\rm ff}^{-1}$ and $\tau_{\rm dep}$ is independent of $\epsilon_{\rm ff}$ but scales linearly with the feedback strength. We also compare our results with the observed depletion times and mass fractions of star-forming and molecular gas and show that they provide complementary constraints on $\epsilon_{\rm ff}$ and the feedback strength. In conclusion, we show that useful constraints on $\epsilon_{\rm ff}$ can also be obtained using measurements of the depletion time and its scatter on different spatial scales.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

Particle-scale CO2 adsorption kinetics modeling considering three reaction mechanisms

In the presence of water (H2O), dry and wet adsorptions of carbon dioxide (CO2) and physical adsorption of H2O happen concurrently in a sorbent particle. The three reactions depend on each other and have a complicated, but important, effect on CO2 capturing via a solid sorbent. In this study, transport phenomena in the sorbent were modeled, including the tree reactions, and a numerical solving procedure for the model also was explained. The reaction variable distribution in the sorbent and their average values were calculated, and simulation results were compared with experimental data to validate the proposed model. Some differences, caused by thermodynamic parameters, were observed between them. However, the developed model reasonably simulated the adsorption behaviors of a sorbent. The weight gained by each adsorbed species, CO2 and H2O, is difficult to determine experimentally. It is known that more CO2 can be captured in the presence of water. Still, it is not yet known quantitatively how much more CO2 the sorbent can capture, nor is it known how much dry and wet adsorptions separately account for CO2 capture. This study addresses those questions by modeling CO2 adsorption in a particle and simulating the adsorption process using the model. As adsorption temperature changed into several values, the adsorbed amount of each species was calculated. The captured CO2 in the sorbent particle was compared quantitatively between dry and wet conditions. As the adsorption temperature decreased, wet adsorption increased. However, dry adsorption was reduced.

CO2 capture, Mathematical modeling, Sorbent partic↗

DOE OSTI2011

Application of real rock pore-threat statistics to a regular pore network model

This work reports the application of real rock statistical data to a previously developed regular pore network model in an attempt to produce an accurate simulation tool with low computational overhead. A core plug from the St. Peter Sandstone formation in Indiana was scanned with a high resolution micro CT scanner. The pore-throat statistics of the three-dimensional reconstructed rock were extracted and the distribution of the pore-throat sizes was applied to the regular pore network model. In order to keep the equivalent model regular, only the throat area or the throat radius was varied. Ten realizations of randomly distributed throat sizes were generated to simulate the drainage process and relative permeability was calculated and compared with the experimentally determined values of the original rock sample. The numerical and experimental procedures are explained in detail and the performance of the model in relation to the experimental data is discussed and analyzed. Petrophysical properties such as relative permeability are important in many applied fields such as production of petroleum fluids, enhanced oil recovery, carbon dioxide sequestration, ground water flow, etc. Relative permeability data are used for a wide range of conventional reservoir engineering calculations and in numerical reservoir simulation. Two-phase oil water relative permeability data are generated on the same core plug from both pore network model and experimental procedure. The shape and size of the relative permeability curves were compared and analyzed and good match has been observed for wetting phase relative permeability but for non-wetting phase, simulation results were found to be deviated from the experimental ones. Efforts to determine petrophysical properties of rocks using numerical techniques are to eliminate the necessity of regular core analysis, which can be time consuming and expensive. So a numerical technique is expected to be fast and to produce reliable results. In applied engineering, sometimes quick result with reasonable accuracy is acceptable than the more time consuming results. Present work is an effort to check the accuracy and validity of a previously developed pore network model for obtaining important petrophysical properties of rocks based on cutting-sized sample data.

58 GEOSCIENCES↗

DOE OSTI2011

Application of real rock pore-throat statistics to a regular pore network model

42 ENGINEERING↗