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At least 1,459 records · Page 81

Machine learning assisted modeling of mixing timescale for LES/PDF of high-Karlovitz turbulent premixed combustion

Accurate modeling of mixing in the transported probability density function (PDF) method remains a great challenge, especially for turbulent premixed combustion under extreme conditions such as high Karlovitz number Ka. Recently, a power-law based mixing timescale model was developed for the large-eddy simulations (LES)/PDF modeling of high-Ka number turbulent premixed flames. It is found in this work that the power-law mixing timescale model is highly sensitive to the model parameters. It is thus critically needed to develop accurate calibration of these model parameters. The empirical specification of the model parameters developed in Zhang et. al. is found to be inadequate for accurate modeling of the mixing timescale. Here, machine learning is introduced as an attractive alternative in this work for the specification of the model parameters. A high-Ka number DNS jet flame is used as the training and validation of the machine learning models. The choices of the input parameters are discussed and compared for the machine learning models. The effect of differential molecular diffusion on mixing is examined by including the effect of the Lewis number in the training of the machine learning models. The performance of different machine learning algorithms is compared for the specification of the mixing model parameters. Overall, excellent performance of the machine learning models is observed for assisting the mixing modeling. The feasibility, interpretability, applicability, generality, and portability of using machine learning are discussed in general to provide a perspective on applying data-driven machine learning for turbulent combustion modeling studies.

42 ENGINEERING↗

Progress and investigation on lattice Boltzmann modeling of multiple immiscible fluids or components with variable density and viscosity ratios

Lattice Boltzmann models for simulating multiphase flows are relatively new, and much work remains to be done to demonstrate their ability to solve fundamental test cases before they are considered for engineering problems. From this perspective, a hydrodynamic lattice Boltzmann model for simulating immiscible multiphase flows with high density and high viscosity ratios, up to O(1000) and O(100) respectively, is presented and validated against analytical solutions. The method is based on a two phase flow model with operators extended to handle N immiscible fluids. The current approach is O(N) in computational complexity for the number of different gradient approximations. This is a major improvement, considering the O(N{sup 2}) complexity found in most works. A sequence of systematic and essential tests have been conducted to establish milestones that need to be met by the proposed approach (as well as by other methods). First, the method is validated qualitatively by demonstrating its ability to address the spinodal decomposition of immiscible fluids. Second, the model is quantitatively verified for the case of multilayered planar interfaces. Third, the multiphase Laplace law is studied for the case of three fluids. Fourth, a quality index is developed for the three-phase Laplace–Young’s law, which concerns the position of the interfaces between the fluids resulting from the different surface tensions. The current model is compatible with the analytical solution, and is shown to be first order accurate in terms of this quality index. Finally, the multilayered Couette’s flow is studied. In this study, numerical results can recover the analytical solutions for all the selected test cases, as long as unit density ratios are considered. For high density and high viscosity ratios, the analytical solution is recovered for all tests, except that of the multilayered Couette’s flow. Numerical results and a discussion are presented for this unsuccessful test case. It is believed that other LB models may have the same problem in addressing the simulation of multiphase flows with variable density ratios.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Numerical Benchmark for High-Reynolds-Number Supercritical Flows with Large Density Gradients

Because of the extreme complexity of physical phenomena at high pressure, only limited data are available for solver validation at device-relevant conditions such as liquid rocket engines, gas turbines, or diesel engines. In the present study, a two-dimensional direct numerical simulation is used to establish a benchmark for supercritical flow at a high Reynolds number and high-density ratio at conditions typically encountered in liquid rocket engines. Emphasis has been placed on maintaining the flow characteristics of actual systems with simple boundary conditions, grid spacing, and geometry. Results from two different state-of-the-art codes, with markedly different numerical formalisms, are compared using this benchmark. The strong similarity between the two numerical predictions lends confidence to the physical accuracy of the results. The established database can be used for solver benchmarking and model development at conditions relevant to many propulsion and power systems.

Engineering↗

Preliminary high-fidelity simulation of duct wall deformation in sodium fast reactor subassembly

Computational Fluid Dynamics simulations of nuclear energy systems have received extensive interest and have achieved a certain level of maturity. This gives opportunities for a more realistic mechanical analysis of a sodium fast reactor subassembly that is based on more accurate estimates of pressure and temperature distributions within a subassembly. In fast reactor systems, important reactivity feedbacks can be a result of such subassembly duct wall deformation, with an impact on reactor safety considerations. The structural analysis in this work focuses on the stress-strain distributions in a fast reactor subassembly duct wall that are the result of pressure and temperature gradients across the duct. The RANS-based commercial CFD software STAR-CCM+ was used to perform the structural analysis of the duct wall in a 61-pin subassembly that was irradiated in EBR-II as a lead test subassembly. A loose coupling was performed for the thermal-hydraulics and structural mechanics to reduce the mesh cell number and computation time. It is found that the duct wall displacements are dominated by the thermal expansion, but the stress distributions are dominated by the pressure gradients between the inside and outside of the duct. However, the predicted stresses were far less than the yield stress, indicating large margin to the structural integrity of the non-irradiated duct wall. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Study of a Single-Power Two-Circuit ESR Process with Current-Carrying Mold: Mathematical Simulation of the Process and Experimental Verification

A novel single-power two-circuit ESR process (ESR-STCCM) with current-carrying mold has been investigated via numerical simulation and experimental research in this paper. A 2D quasi-steady-state mathematical model is developed to describe ESR-STCCM. The electromagnetic field, flow field, slag pool temperature distribution, and the shape of a molten steel pool in ESR-STCCM have been investigated by FLUENT software as well as user-defined functions (UDF). The results indicate that ESR-STCCM is different from the conventional ESR process. The maximum electromagnetic force, current density, Joule heat, and slag pool flow velocity are located in the lower part of the conductor in the ESR-STCCM process. The direction of the maximum electromagnetic force inclines upward. There are two distinct vortices in the slag pool. The larger swirl rotates counterclockwise near the conductor, with a value of 0.0263 m s{sup −1} due to the interaction of the electromagnetic force and gravity. The maximum temperature of the slag pool is 2070 K (1797 °C) and is located in the center of the swirl with a filling ratio of 0.6 and a 20 mm electrode immersion depth. The depth of a molten steel pool is shallower, which is conducive to improving solidification quality. In addition, the filling ratio of 0.6 is conducive to controlling steel solidification quality. Some experiments have been done, and the numerical model is confirmed by experimental results.

36 MATERIALS SCIENCE↗

Nanoparticle Injection Technology for Remediating Leaks of CO 2 Storage Formation (Final Report)

Leakage of a well can occur through the wellbore, the annulus between well tubing and steel casing, or on the outside of the casing. The overall goal of the project is to develop a new technology that can repair or reduce the leakage of wellbore. The new technology is based on simultaneously injecting nanoparticles electrochemically and removing some of the harmful ions in the system so the distressed cement materials can be densified and the corrosion risk of steel casing can be reduced. There were two objectives. One is the development of the injection technology for leakage repair and the other is the development of new numerical simulation models that can simulate and predict the performance of the new repair technology. An electro-migration testing unit and a in-house wellbore testing system were developed; healing agents with nanoparticles were selected, numerical models were developed to simulate the electro-migration technology, and the effectiveness of the new technology were evaluated.

42 ENGINEERING↗

Nanoscale engineering and dynamic stabilization of mesoscopic spin textures

Thermalization, while ubiquitous in physics, has traditionally been viewed as an obstacle to be mitigated. In contrast, we demonstrate here the use of thermalization in the generation, control, and readout of “shell-like” spin textures with interacting 13 C nuclear spins in diamond, wherein spins are polarized oppositely on either side of a critical radius. The textures span several nanometers and encompass many hundred spins; they are created and interrogated without manipulating the nuclear spins individually. Long-time stabilization is achieved via prethermalization to a Floquet-engineered Hamiltonian under the electronic gradient field: The texture is therefore metastable and robust against spin diffusion. This enables the state to endure over multiple minutes before it decays. Our work on spin-state engineering paves the way for applications in quantum simulation and nanoscale imaging.

42 ENGINEERING↗

Direct Numerical Simulation of Partial Fuel Stratification Assisted Lean Premixed Combustion for Assessment of Hybrid G-Equation/Well-Stirred Reactor Model

Partial fuel stratification (PFS) is a promising fuel injection strategy to stabilize lean premixed combustion in spark-ignition (SI) engines. PFS creates a locally stratified mixture by injecting a fraction of the fuel, just before spark timing, into the engine cylinder containing homogeneous lean fuel/air mixture. Further, this locally stratified mixture, when ignited, results in complex flame structure and propagation modes similar to partially premixed flames and allows for faster and more stable flame propagation than a homogeneous lean mixture. This study focuses on understanding the detailed flame structures associated with PFS-assisted lean premixed combustion. First, a two-dimensional direct numerical simulation (DNS) is performed using detailed fuel chemistry, experimental pressure trace, and realistic initial conditions mapped from a prior engine large-eddy simulation (LES), replicating practical lean SI operating conditions. DNS results suggest that the conventional triple flame structure is prevalent during the initial stage of flame kernel growth. Both premixed and nonpremixed combustion modes are present with the premixed mode contributing dominantly to the total heat release. Detailed analysis further reveals the effects of flame stretch and fuel pyrolysis on flame displacement speed. Based on the DNS findings, the accuracy of a hybrid G-equation/well-stirred reactor (WSR) combustion model is assessed for the PFS-assisted lean operation in the LES context. It is found that the G-equation model qualitatively captures the premixed branches of the triple flame, while the WSR model predicts the nonpremixed branch of the triple flame. Finally, potential needs for improvements to the hybrid G-equation/WSR modeling approach are discussed.

33 ADVANCED PROPULSION SYSTEMS↗

Data-Driven Optimization for the Design and Control of Large-Scale Systems (LDRD Final Report)

Engineering decisions are often formulated as optimization problems such as the optimal design or control of physical systems. In these applications, the resulting optimization problems are constrained by large-scale simulations involving systems of partial differential equations (PDEs), ordinary differential equations (ODEs), and differential algebraic equations (DAEs). In addition, critical components of these systems are fraught with uncertainty, including unverifiable modeling assumptions, unknown boundary and initial conditions, and uncertain coefficients. Typically, these components are estimated using noisy and incomplete data from a variety of sources (e.g., physical experiments). The lack of knowledge of the true underlying probabilistic characterization of model inputs motivates the need for optimal solutions that are robust to this uncertainty. In this report, we introduce a framework for handling "distributional" uncertainties in the context of simulation-based optimization. This includes a novel measure discretization technique that will lead to an adaptive optimization algorithm tailored to exploit the structures inherent to simulation- based optimization.

42 ENGINEERING↗

Evaluation of Rapid for a UNF cask benchmark problem

To ensure criticality safety and maintain a high level of security of Used Nuclear Fuel (UNF), it is necessary to perform detailed Particle Transport simulations. The commonly used technique is the 3-D, continuous energy Monte Carlo method that is time-consuming and, for eigenvalue calculations, may have difficulties with the source convergence. Wenner and Haghighat and Dufek demonstrated that in criticality problems with high dominance ratio and/or under-sampling possibilities, the fission matrix (FM) methodology should be used in order to be able to obtain unbiased solution. The RAPID (Real-time Analysis for Particle transport and In-situ Detection) code system is based on the Multi-stage Response-function Transport (MRT) methodology, and uses the FM formulation to determine eigenvalue, subcritical multiplication and fission density distribution of nuclear systems. This paper uses a benchmark problem similar to the GBC-32 Cask to evaluate the accuracy and performance of RAPID against the results of a reference MCNP solution. We performed a detailed sensitivity analysis on a single-assembly model in order to determine the MCNP eigenvalue parameters necessary to obtain a reliable reference solution. These results provided a guide for the selection of an appropriate set of parameters for the eigenvalue calculation for the whole cask. The paper is organized as follows: initially, the RAPID code system is briefly discussed; then, the benchmark problem is introduced. The methodology used to analyze results is proposed and some of the results of different cases are analyzed to identify the best set of eigenvalue parameters for a reference MCNP calculation. The selected case is then compared with the RAPID calculation for both a single assembly and a full cask model. In the end some conclusions and future work perspectives are drawn.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Direct numerical simulation of flame stabilization assisted by autoignition in a reheat gas turbine combustor

A three-dimensional direct numerical simulation (DNS) is performed for a turbulent hydrogen-air flame, represented with detailed chemistry, stabilized in a model gas-turbine combustor. The combustor geometry consists of a mixing duct followed by a sudden expansion and a combustion chamber, which represents a geometrically simplified version of Ansaldo Energia’s GT26/GT36 sequential combustor design. In this configuration, a very lean blend of hydrogen and vitiated air is prepared in the mixing duct and convected into the combustion chamber, where the residence time from the inlet of the mixing duct to the combustion chamber is designed to coincide with the ignition delay time of the mixture. The results show that when the flame is stabilized at its design position, combustion occurs due to both autoignition and flame propagation (deflagration) modes at different locations within the combustion chamber. A chemical explosive mode analysis (CEMA) reveals that most of the fuel is consumed due to autoignition in the bulk-flow along the centerline of the combustor, and lower amounts of fuel are consumed by flame propagation near the corners of the sudden expansion, where the unburnt temperature is reduced by the thermal wall boundary layers. An unstable operating condition is also identified, wherein periodic auto-ignition events occur within the mixing duct. These events appear upstream of the intended stabilization position, due to positive temperature fluctuations induced by pressure waves originating from within the combustion chamber. This DNS investigation represents the initial step of a comprehensive research effort aimed at gaining detailed physical insight into the rate-limiting processes that govern the sequential combustor behavior and avoid the insurgence of the off-design auto-ignition events.

20 FOSSIL-FUELED POWER PLANTS↗

Methods for Quantifying Shallow-Water Habitat Availability in the Missouri River

As part of regulatory requirements for shallow-water habitat (SWH) restoration, the U.S. Army Corps of Engineers (USACE) completes periodic estimates of the quantity of SWH available throughout the lower 752 mi of the Missouri River. To date, these estimates have been made by various methods that consider only the water depth criterion for SWH. The USACE has completed estimates of SWH availability based on both depth and velocity criteria at four river bends (hereafter called reference bends), encompassing approximately 8 river miles within the lower 752 mi of the Missouri River. These estimates were made from the results of hydraulic modeling of water depth and velocity throughout each bend. Hydraulic modeling of additional river bends is not expected to be completed for deriving estimates of available SWH. Instead, future estimates of SWH will be based on the water depth criterion. The objective of this project, conducted by the Pacific Northwest National Laboratory for the USACE Omaha District, was to develop geographic information system methods for estimating the quantity of available SWH based on water depth only. Knowing that only a limited amount of water depth and channel geometry data would be available for all the remaining bends within the lower 752 mi of the Missouri River, the intent was to determine what information, if any, from the four reference bends could be used to develop methods for estimating SWH at the remaining bends. Specifically, we examined the relationship between cross-section channel morphology and relative differences between SWH estimates based on combined depth and velocity criteria and the depth-only criterion to determine if a correction factor could be applied to estimates of SWH based on the depth-only criterion. In developing these methods, we also explored the applicability of two commonly used geographic information system interpolation methods (TIN and ANUDEM) for estimating SWH using four different elevation data scenarios. Relative differences in SWH estimates among the four data scenarios were compared to illustrate estimation ranges.

54 ENVIRONMENTAL SCIENCES↗

Mineral assemblage transformation of a metakaolin-based waste form after geopolymer encapsulation

Current plans for nuclear waste vitrification at the Hanford Tank Waste Treatment and Immobilization Plant (WTP) lack the capacity to treat all of the low activity waste (LAW) that is not encapsulated in the vitrified product. Fluidized Bed Steam Reforming (FBSR) is one of the supplemental technologies under consideration to fill this gap. The FBSR process results in a granular product mainly composed of feldspathoid mineral phases that encapsulate the LAW and other contaminants of concern (COCs). In order to better understand the characteristics of the FBSR product, characterization testing has been performed on the granular product as well as the granular product encapsulated in a monolithic geopolymer binder. The non-radioactive simulated tank waste samples created for use in this study are the result of a 2008 Department of Energy sponsored Engineering Scale Technology Demonstration (ESTD) in 2008. These samples were created from waste simulant that was chemically shimmed to resemble actual tank waste, and rhenium has been used as a substitute for technetium. Another set of samples was created by the Savannah River Site Bench-Scale Reformer (BSR) using a chemical shim of Savannah River Site Tank 50 waste in order to simulate a blend of 68 Hanford tank wastes. This paper presents results from coal and moisture removal tests along with XRD, SEM, and BET analyses showing that the major mineral components are predominantly sodium aluminosilicate minerals and that the mineral product is highly porous. Results also show that the materials pass the short-term leach tests: the Toxicity Characteristic Leaching Procedure (TCLP) and Product Consistency Test (PCT).

Feldspathoid Minerals↗

Magnetar-powered Supernovae in Two Dimensions. II. Broad-line Supernovae Ic

Nascent neutron stars (NSs) with millisecond periods and magnetic fields in excess of 10{sup 16} Gauss can drive highly energetic and asymmetric explosions known as magnetar-powered supernovae. These exotic explosions are one theoretical interpretation for supernovae Ic-BL, which are sometimes associated with long gamma-ray bursts. Twisted magnetic field lines extract the rotational energy of the NS and release it as a disk wind or a jet with energies greater than 10{sup 52} erg over ∼20 s. What fraction of the energy of the central engine go into the wind and the jet remain unclear. We have performed two-dimensional hydrodynamical simulations of magnetar-powered supernovae (SNe) driven by disk winds and jets with the CASTRO code to investigate the effect of the central engine on nucleosynthetic yields, mixing, and light curves. We find that these explosions synthesize less than 0.05 M{sub ⊙} of {sup 56}Ni and that this mass is not very sensitive to central engine type. The morphology of the explosion can provide a powerful diagnostic of the properties of the central engine. In the absence of a circumstellar medium, these events are not very luminous, with peak bolometric magnitudes of M{sub b}∼−16.5 due to low {sup 56}Ni production.

79 ASTRONOMY AND ASTROPHYSICS↗

Replicating HCCI-like autoignition behavior: What gasoline surrogate fidelity is needed?

This work seeks to characterize the fidelity needed in a gasoline surrogate with the intent to replicate the complex autoignition behavior exhibited within advanced combustion engines, and specifically Homogeneous Charge Compression Ignition (HCCI). A low-temperature gasoline combustion (LGTC) engine operating in HCCI mode and a rapid compression machine (RCM) are utilized to experimentally quantify fuel reactivity, through autoignition and preliminary heat release characteristics. Fuels considered include a research grade E10 U.S. gasoline (RD5-87), three multi-component surrogates (PACE-1, PACE-8, PACE-20), and a binary surrogate (PRF88.4). Each fuel was studied at lean/HCCI-like conditions covering a wide range of temperatures and pressures that are representative of naturally aspirated to high boost engine operation. Detailed chemical kinetic modeling is also undertaken using a recently updated gasoline surrogate kinetic model to simulate the RCM experiments and to provide chemical insight into surrogate-to-surrogate differences. The LGTC engine experiments demonstrate nearly identical reactivity between PACE-20 and RD5-87 across studied conditions, while faster phasing is seen for both PACE-1 and PACE-8 due to their stronger intermediate- and low-temperature heat release (ITHR/LTHR) at naturally aspirated and boosted conditions, respectively. The RCM experiments reveal typical low-temperature, negative temperature coefficient (NTC) and intermediate-temperature autoignition behaviors at all pressure conditions for RD5-87, which are qualitatively reproduced by all surrogates. Quantitative discrepancies in both autoignition and preliminary heat release are observed for all surrogates, while their ability to replicate RD5-87 autoignition behavior follows the order of PACE-20 > PACE-1 > PACE-8 > PRF88.4. Excellent mapping is obtained between the LGTC engine and the RCM, where the engine pressure-time trajectories can be characterized by the regimes represented by the RCM autoignition isopleths. The kinetic model performs commendably when simulating both autoignition and preliminary heat release of PACE-20, while typically overpredicting ignition delay times for PACE-1, PACE-8 and PRF88.4 at high-pressure and low-temperature/NTC conditions. Sensitivity and rate of production (ROP) analyses highlight surrogate-to-surrogate differences in the governing chemical kinetics where n-pentane initiates rapid OH branching at a faster rate and an earlier timing for PACE-20 than iso-pentane does for PACE-1 and PACE-8, making it computationally more reactive than the other surrogates. The current study highlights the need to include non-standardized properties, such as the lean/HCCI-like autoignition characteristics, in addition to ASTM properties (e.g., RON, MON) as metrics of fuel reactivity and targets to be matched when formulating high-fidelity surrogates that fully capture gasoline advanced combustion behavior such as HCCI-like autoignition.

42 ENGINEERING↗

Formerly Used Sites Remedial Action Program (FUSRAP) W. R. Grace Building 23 Remedial Action-Challenges and Successes - 12247

Monazite sand processing was conducted at the W. R. Grace Curtis Bay Facility (Baltimore, Maryland) from mid-May 1956 through the spring of 1957 under license to the Atomic Energy Commission (AEC), for the extraction of source material in the form of thorium, as well as rare earth elements. The processing was conducted in the southwest quadrant of a ca. 100 year old, five-story, building (Building 23) in the active manufacturing portion of the facility. Building components and equipment in the southwest quadrant of Building 23 exhibited residual radiological activity remaining from the monazite sand processing. U.S. Army Corps of Engineers (USACE) conducted a remedial investigation (RI) and feasibility study (FS) and prepared a Record of Decision (ROD) to address residual radioactivity on building components and equipment in the southwest quadrant of Building 23. The remedy selected for the southwest quadrant of Building 23, which was documented in the ROD (dated May 2005), was identified as 'Alternative 2: Decontamination With Removal to Industrial Use Levels'. The selected remedy provided for either decontaminating or removing areas of radioactivity to meet the RGs. Demonstration of compliance with the selected ARAR was performed using the Multi-Agency Radiation Survey and Site Investigation Manual (MARSSIM) and other appropriate guidance, as well as appropriate dose modeling codes where necessary. USACE-Baltimore District along with its private industry partner worked together under the terms of a 2008 Settlement Agreement to implement the remedial action (RA) for the southwest quadrant of Building 23. The RA was conducted in two phases: Phase 1 was completed to improve the building condition for support of subsequent remedial action and decrease scope uncertainty of the remedial action, and Phase 2 included decontamination and removal activities to meet the RGs and demonstration of compliance with the selected ARAR. Challenges encountered during the RA include: coordination with stakeholders, coordination between multiple RA contractors, addressing unique structural challenges for Building 23, nonradiological hazards associated with the RA, weather issues, and complex final status survey (FSS) coordination. The challenges during the Phase 1 RA were handled successfully. The challenges for the Phase 2 RA, which is anticipated to be complete by late-summer of 2012, have been handled successfully so far. By fall of 2012, USACE is expecting to finalize a robust RA Closure Report, including the Final Status Survey Report, which summarizes the RA activities and documents compliance with the ROD. During the ongoing RA at Building 23, there have been and still are many challenges both technically and from a project management perspective, due in part to the nature and extent of impact at the site (residual radioactivity within an active processing building), dual oversight by the property owner and USACE, and site-specific challenges associated with a complex RA and multiple contractors. Currently, USACE and its industry partner are overseeing the completion of RA field activities. RA closure documentation for the remediation of Building 23 to address residual contamination in building materials will be reviewed/approved by USACE and its industry partner upon completion of the field activities. USACE and its industry partner are working well together, through the Settlement Agreement, to conduct a cost-efficient and effective remedial action to address the legacy issues at Building 23. This cooperative effort has set a firm foundation for achieving a successful RA at the RWDA using a 'forward think' approach, and it is a case study for other sites where an industry partner is involved. The collaborative effort led to implementation of an RA which is acceptable to the site owner, the regulators, and the public, thus allowing USACE to move this project forward successfully in the FUSRAP program. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Input visualization for the Cyclus nuclear fuel cycle simulator: CYClus Input Control

This paper discusses and demonstrates the methods used for the graphical user interface for the Cyclus fuel cycle simulator being developed at the University of Wisconsin-Madison. Cyclus Input Control (CYCIC) is currently being designed with nuclear engineers in mind, but future updates to the program will be made to allow even non-technical users to quickly and efficiently simulate fuel cycles to answer the questions important to them. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗