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Reference constitutive model for Alloy 617 and 316H stainless steel for use with the ASME Division 5 design by inelastic analysis rules

This report describes the development, calibration, and validation of an inelastic constitutive model describing the monotonic, cyclic, and creep behavior of Alloy 617 from room temperature to 983 °C . The model is intended for incorporation into a new Nonmandatory Appendix to Section III, Division 5, Subsection HB, Subpart B of the ASME Boiler & Pressure Vessel Code providing guidance on developing models for use with the ASME design by inelastic analysis provisions as well as a listing of acceptable material models for each Class A material that designers can use without further validation. The report described the development of the A617 model as well as providing an updated draft appendix, ready for ASME ballot, incorporating the A617 and and the previously-developed 316H model. The development of this appendix and the related material models will promote the widespread application of the generally more efficient inelastic analysis rules rules.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The Gd based Neutron Absorber for Spent Fuel Storage and Transport Cask - 17636

The criticality safety calculations were performed for integral model which has single rack wall of stainless steel added neutron absorber material. The integral model was verified by reference model composed of 3 layer; basket cell, neutron absorber and sheath. For the neutron absorber material, Gd was selected due to its high neutron absorption cross section in thermal region compared to B. The mathematical model based on validated code, KENO-Va in SCALE was used and the data library is ENDF/B-VII 238-Group. The k{sub eff} was calculated for changes in Gd and B contents in flooded condition. The Gd added stainless steel shows higher performance than B at same atomic percent and reactivity reduction decreases as absorber content increases. Therefore, the Gd 0.47 at% was selected for 'optimum Gd content' for effective use of neutron absorber. With Gd 0.47 at%, B, Sm, Er and Eu was considered for additional neutron absorber and B shows the best performance among them. The Gd 0.47 at% with B 2.05 at% was selected for (optimum neutron absorber content'. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The Virtual Test Bed (VTB) Repository: A Library of Multiphysics Reference Reactor Models using NEAMS Tools

With the next generation of nuclear reactors under development, modeling and simulation (M&S) tools are being developed by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in order to support their design, licensing, and future operation. Mirroring the physical test beds currently under construction (i.e., EBR-II and ZPPR), the Virtual Test Bed (VTB) was launched by the National Reactor Innovation Center (NRIC) in collaboration with NEAMS to support the advanced reactor community. This collaborative effort, which involves multiple teams at both Idaho National Laboratory and Argonne National Laboratory aims to use NEAMS tools to model a wide range of reactor designs. Those models are automatically tested to ensure their continued functionality as the tools are further developed. Examples are extensively documented, each acting as a tutorial for applying the relevant NEAMS tools to that reactor design. Currently, five advanced reactor types (with a total of eight specific design variants) are simulated by a variety of different models. These models range from steady-state, core multiphysics simulations to integrated plant analysis during loss-of-flow transients.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Feasibility of an Accelerometer-Based Structural Health Monitoring System for the LANL Blast Tube

A modeling- and simulation-based study was conducted on the feasibility of implementing an accelerometer-based SHM system on the Los Alamos National Laboratory blast tube. A blast tube experiment was modeled using the Abaqus explicit finite element solver. A custom user subroutine was written to apply test-like pressure loading to the inside surface of the blast tube. The subroutine applies analytically defined pressure loads derived from tracer output taken from a Compressible Flow Computational Fluid Dynamics Solver model of the blast tube. Five unique versions of the model were created: an undamaged reference model at 65°F was used as the baseline and compared to equivalent models at 10°F and 100°F. These three models were compared to models with small damage at the reference temperature. The two types of damage considered were a radial (circumferential) crack in the main tube body and a longitudinal crack in the supports. Acceleration outputs were extracted from accelerometer bodies included in the model and were post processed using a variety of standard SHM techniques. Different potential features signaling failure were extracted and compared using statistical methods in the time and frequency domains. A method was identified that clearly shows that differences in structural response resulting from the modeled damage can be differentiated from the structural response resulting from changing environmental conditions. However, the amount of damage applied to create observable differences in the accelerometer data was so large that simpler methods of damage detection would be more cost effective in locating damage.

42 ENGINEERING↗

Parametric models for samples of random functions

A new class of parametric models, referred to as sample parametric models, is developed for random elements that match sample rather than the first two moments and/or other global properties of these elements. The models can be used to characterize, e.g., material properties at small scale in which case their samples represent microstructures of material specimens selected at random from a population. The samples of the proposed models are elements of finite-dimensional vector spaces spanned by samples, eigenfunctions of Karhunen–Loève (KL) representations, or modes of singular value decompositions (SVDs). The implementation of sample parametric models requires knowledge of the probability laws of target random elements. Numerical examples including stochastic processes and random fields are used to demonstrate the construction of sample parametric models, assess their accuracy, and illustrate how these models can be used to solve efficiently stochastic equations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Numerical study of the chemo-mechanical behavior of FEBEX bentonite in nuclear waste disposal based on the Barcelona expansive model

Experimental studies show that compacted bentonite used as a backfill material for nuclear waste repository experiences strong coupling between chemical and mechanical processes. Here, we use a dual-structure expansive soil model, referred to as the Barcelona Expansive Model (BExM), to predict the behavior of bentonite buffer in subsurface emplacement tunnels for high-level radioactive waste. After emplacement, the bentonite is subjected to complex and coupled Thermal-Hydraulic-Mechanical-Chemical (THMC) processes. The BExM constitutive model is implemented in a multi-phase reactive transport and geomechanics simulator, TOUGHREACT-FLAC3D, and the model is verified with one benchmark test on FEBEX bentonite. We utilize a one-way Chemo-Mechanical (C-M) coupling approach, in which chemical changes affect the mechanical behavior of bentonite through the BExM linked with the evolution of mass fraction of smectite, exchangeable cation concentration, and ionic strength via osmotic suction. The parameters of the new coupled model for FEBEX bentonite are calibrated against a series of laboratory experiments with various salinity solutions. Finally, coupled THMC modeling is conducted for a generic argillite repository with bentonite buffer under high temperature, focusing on the long-term chemical change and its effect on the mechanical process.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Restoration of the Potosi Dynamic Model 2010

In topical Report DOE/FE0002068-1 [2] technical performance evaluations on the Cambrian Potosi Formation were performed through reservoir modeling. The data included formation tops from mud logs, well logs from the VW1 and the CCS1 wells, structural and stratigraphic formation from three dimensional (3D) seismic data, and field data from several waste water injection wells for Potosi Formation. Intention was for two million tons per annum (MTPA) of CO2 to be injected for 20 years. In this Task the 2010 Potosi heterogeneous model (referred to as the "Potosi Dynamic Model 2010" in this report) was re-run using a new injection scenario; 3.2 MTPA for 30 years. The extent of the Potosi Dynamic Model 2010, however, appeared too small for the new injection target. It was not sufficiently large enough to accommodate the evolution of the plume. Also, it might have overestimated the injection capacity by enhancing too much the pressure relief due to the relatively close proximity between the injector and the infinite acting boundaries. The new model, Potosi Dynamic Model 2013a, was built by extending the Potosi Dynamic Model 2010 grid to 30 miles x 30 miles (48 km by 48 km), while preserving all property modeling workflows and layering. This model was retained as the base case. Potosi Dynamic Model 2013.a gives an average CO2 injection rate of 1.4 MTPA and cumulative injection of 43 Mt in 30 years, which corresponds to 45% of the injection target. This implies that according to this preliminary model, a minimum of three (3) wells could be required to achieve the injection target. The injectivity evaluation of the Potosi formation will be revisited in topical Report 15 during which more data will be integrated in the modeling exercise. A vertical flow performance evaluation could be considered for the succeeding task to determine the appropriate tubing size, the required injection tubing head pressure (THP) and to investigate whether the corresponding well injection rate falls within the tubing erosional velocity limit. After 30 years, the plume extends 15 miles (24 km) in E-W and 14 miles (22 km) in N-S directions. After injection is completed, the plume continues to migrate laterally, mainly driven by the remaining pressure gradient. After 100 years post-injection, the plume extends 17 miles (27 km) in E-W and 15 miles (24 km) in N-S directions. The increase of reservoir pressure at the end of injection is approximately 370 psia around the injector and gradually decreases away from the well. The reservoir pressure increase is less than 30 psia beyond 14 miles (22 km) away from injector. The initial reservoir pressure is restored after approximately 20 years post-injection. This result, however, is associated with uncertainties on the boundary conditions, and a sensitivity analysis could be considered for the succeeding tasks. It is important to remember that the respective plume extent and areal pressure increase corresponds to an injection of 43 Mt CO2. Should the targeted cumulative injection of 96 Mt be achieved; a much larger plume extent and areal pressure increase could be expected. Re-evaluating the permeability modeling, vugs and heterogeneity distributions, and relative permeability input could be considered for the succeeding Potosi formation evaluations. A simulation using several injectors could also be considered to determine the required number of wells to achieve the injection target while taking into account the pressure interference.

Adushita, Yasmin↗

The Potosi Reservoir Model 2013

As a part of a larger project co-funded by the United States Department of Energy (US DOE) to evaluate the potential of formations within the Cambro-Ordovician strata above the Mt. Simon as potential targets for carbon sequestration in the Illinois and Michigan Basins, the Illinois Clean Coal Institute (ICCI) requested Schlumberger to evaluate the potential injectivity and carbon dioxide (CO2) plume size of the Cambrian Potosi Formation. The evaluation of this formation was accomplished using wireline data, core data, pressure data, and seismic data from the US DOE-funded Illinois Basin–Decatur Project (IBDP) being conducted by the Midwest Geological Sequestration Consortium in Macon County, Illinois. In 2010, technical performance evaluations on the Cambrian Potosi Formation were performed through reservoir modeling. The data included formation tops from mud logs, well logs from the VW1 and the CCS1 wells, structural and stratigraphic formation from three dimensional (3D) seismic data, and field data from several waste water injection wells for Potosi Formation. Intention was for two million tons per annum (MTPA) of CO2 to be injected for 20 years. In the preceding, the 2010 Potosi heterogeneous model (referred to as the "Potosi Dynamic Model 2010" in this topical report) was re-run using a new injection scenario; 3.2 MTPA for 30 years. The extent of the Potosi Dynamic Model 2010, however, appeared too small for the new injection target. It was not sufficiently large enough to accommodate the evolution of the plume. The new model, Potosi Dynamic Model 2013a, was built by extending the Potosi Dynamic Model 2010 grid to 30 miles x 30 miles (48.3km x48.3km), while preserving all property modeling workflows and layering. This model was retained as the base case of Potosi Dynamic Model 2013a. The Potosi reservoir model was updated to take into account the new data from the verification well VW2 which was drilled in 2012. The new porosity and permeability modeling was performed to take into account the log data from the new well. Revisions of the 2010 modeling assumptions were also done on relative permeability, capillary pressures, formation water salinity, and the maximum allowable well bottomhole pressure. Dynamic simulations were run using the injection target of 3.2 MTPA for 30 years. This new dynamic model was named Potosi Dynamic Model 2013b. Due to the major uncertainties on the vugs permeability, two models were built; the Pessimistic and Optimistic Cases. The Optimistic Case assumes vugs permeability of 9,000 mD, which is analog to the vugs permeability identified in the pressure fall off test of a waste water injector in the Tuscola site, approx. 40 miles (64.4km) away from the IBDP area. The Pessimistic Case assumes that the vugs permeability is equal to the log data, which does not take into account the permeability from secondary porosity. The probability of such case is deemed low and could be treated as the worst case scenario, since the contribution of secondary porosity to the permeability is neglected and the loss circulation events might correspond to a much higher permeability. It is considered important, however, to identify the range of possible reservoir performance since there are no rigorous data available for the vugs permeability. The Optimistic Case gives an average CO2 injection rate of 0.8 MTPA and cumulative injection of 26 MT in 30 years, which corresponds to 27% of the injection target. The injection rate is approx. 3.2 MTPA in the first year as the well is injecting into the surrounding vugs, and declines rapidly to 0.8 MTPA in year 4 once the surrounding vugs are full and the CO2 start to reach the matrix. This implies that according to this preliminary model, a minimum of four (4) wells could be required to achieve the injection target. This result is lower than the injectivity estimated in the Potosi Dynamic Model 2013a (43 MT in 30 years), since the permeability model applied in the Potosi Dynamic Model 2013b is more conservative. This revision was deemed necessary to treat the uncertainty in a more appropriate manner. As the CO2 follows the paths where vugs interconnection exists, a reasonably large and irregular plume extent was created. For the Optimistic Case, the plume extends 17 miles (27.4km) in E-W and 14 miles (22.5km) in N-S directions after 30 years. After injection is completed, the plume continues to migrate laterally, mainly driven by the remaining pressure gradient. After 100 years post injection, the plume extends 20 miles (32.2km) in E-W and 15.5 miles (24.9km) in N-S directions. Should the targeted cumulative injection of 96 MT be achieved; a much larger plume extent could be expected. For the Optimistic Case, the increase of reservoir pressure at the end of injection is approximately 1200 psia (8,274 kPa) around the injector and gradually decreases away from the well. The reservoir pressure increase is less than 30 psia (206.8 kPa) beyond 14 miles (22.5km) away from injector. Should the targeted cumulative injection of 96 MT be achieved; a much larger areal pressure increase could be expected. The initial reservoir pressure is nearly restored after approximately 100 years post injection. The presence of matrix slows down the pressure dissipations. The Pessimistic Case gives an average CO2 injection rate of 0.2 MTPA and cumulative injection of 7 MT in 30 years, which corresponds to 7% of the injection target. This implies that in the worst case scenario, a minimum of sixteen (16) wells could be required to achieve the injection target. The present evaluation is mainly associated with uncertainty on the vugs permeability, distribution, and interconnectivity. The different results indicated by the Optimistic and Pessimistic Cases signify the importance of vugs permeability characterization. Therefore, injection test and pressure interference test among the wells could be considered to evaluate the local vugs permeability, extent, and interconnectivity. Porosity mapping derived from the seismic inversion could also be used in the succeeding task to characterize the lateral porosity distribution within the reservoir. With or without seismic inversion porosity mapping, it is worth exploring whether increased lateral heterogeneity plays a significant role in Potosi injectivity. Investigations on vugular, dolomitic outcrops suggest that there may be significantly greater lateral heterogeneity than what has been modeled here. Facies modeling within the Potosi has yet to be thoroughly addressed. The carbonates during the time of deposition are believed to be regionally extensive. However, it may be worth delineating the reservoir with other regional wells or modern day analogues to understand the extent of the Potosi. More specifically, the model could incorporate lateral changes or trends if deemed necessary to represent facies transition. Data acquisitions to characterize the fracture pressure gradient, the formation water properties, the relative permeability, and the capillary pressure could also be considered in order to allow a more rigorous evaluation of the Potosi storage performance. A simulation using several injectors could also be considered to determine the required number of wells to achieve the injection target while taking into account the pressure interference.

Adushita, Yasmin↗

High-Fidelity Models and Fast EMT Simulation Algorithms for Isolated Multi-port Autonomous Reconfigurable Solar power plant (MARS)

The integration of hybrid photovoltaic (PV) and energy storage system (ESS) based plants has become a promising way of solving the intermittency of PV plants and providing frequency support to the power grid. The multi-port autonomous reconfigurable solar power plant (MARS) can integrate the PV systems and ESSs to an ac grid and dc lines. The proposed isolated MARS incorporates an isolated converter that connects to the PV arrays and is based on the dual active bridge (DAB) converter. The high frequency switching in the DAB and the means to control the DAB converter using delays between switching signals lead to the need for a small timestep in simulations. Moreover, several hundreds of modules that include a DAB converter are present in the MARS. The small timestep and the presence of several hundreds of modules lead to a significant rise in the overall simulation time. To address this issue, simulation algorithms like numerical stiffness-based hybrid discretization and the hysteresis relaxation technique are applied to the switched system model of isolated MARS. Additionally, an event-driven interpolating method is introduced to help increase the minimum timestep to simulate the conventional DAB converter model while maintaining high accuracy in the simulation results. The developed model is validated by comparison with its reference model built in the PSCAD/EMTDC and MATLAB software environments using library components.

Xia, Qian↗

Development and Validation of Passive Yaw in the Open-Source WEC-Sim Code

A passive yaw implementation is developed, validated, and explored for the WEC-Sim, an open-source wave energy converter modeling tool that works within MATLAB/Simulink. The Reference Model 5 (RM5) is selected for this investigation, and a WEC-Sim model of the device is modified to allow yaw motion. A boundary element method (BEM) code was used to calculate the excitation force coefficients for a range of wave headings. An algorithm was implemented in WEC-Sim to determine the equivalent wave heading from a body’s instantaneous yaw angle and interpolate the appropriate excitation coefficients to ensure the correct time-domain excitation force. This approach is able to determine excitation force for a body undergoing large yaw displacement. For the mathematically simple case of regular wave excitation, the dynamic equation was integrated numerically and found to closely approximate the results from this implementation in WEC-Sim. A case study is presented for the same device in irregular waves. In this case, computation time is increased by 32x when this interpolation is performed at every time step. To reduce this expense, a threshold yaw displacement can be set to reduce the number of interpolations performed. A threshold of 0.01° was found to increase computation time by only 22x without significantly affecting time domain results. Similar amplitude spectra for yaw force and displacements are observed for all threshold values less than 1°, for which computation time is only increased by 2.2x.

50 EE - Wind and Water Power Program - Water (EE-4↗

Development and Validation of Passive Yaw in the Open-Source WEC-Sim Code: Preprint

A passive yaw implementation is developed, validated, and explored for the Wave Energy Converter Simulator (WEC-Sim), an open-source wave energy converter modeling tool that works within MATLAB/Simulink. The Reference Model 5 (RM5) is selected for this investigation, and a WEC-Sim model of the device is modified to allow yaw motion. A boundary element method (BEM) code was used to calculate the excitation force coefficients for a range of wave headings. An algorithm was implemented in WEC-Sim to determine the equivalent wave heading from a body’s instantaneous yaw angle and interpolate the appropriate excitation coefficients to ensure the correct time-domain excitation force. This approach is able to determine excitation force for a body undergoing large yaw displacement. For the mathematically simple case of regular wave excitation, the dynamic equation was integrated numerically and found to closely approximate the results from this implementation in WEC-Sim. A case study is presented for the same device in irregular waves. In this case, computation time is increased by 32x when this interpolation is performed at every time step. To reduce this expense, a threshold yaw displacement can be set to reduce the number of interpolations performed. A threshold of 0.01 was found to increase computation time by only 22x without significantly affecting time domain results. Similar amplitude spectra for yaw force and displacements are observed for all threshold values less than or equal to 1, for which computation time is only increased by 2.2x.

50 EE - Wind and Water Power Program - Water (EE-4↗

Initial study on cross section generation requirements for a PBR equilibrium core

A Serpent model of the HTR-PM equilibrium core was developed for use in cross section prepa-ration studies in order to guide methods development for the Griffin reactor multiphysics applica-tion. The model includes detailed isotopics for 10 distinct pebble burnup groups in 126 core zoneswith unique fuel and moderator temperatures obtained from a coupled neutronics-thermal-fluidsequilibrium core calculation using Griffin-Pronghorn. A sensitivity study of the fuel and mod-erator temperatures for various core regions was performed with the MOOSE stochastic tools.The results show that the uncertainties are, not unexpectedly, dominated by the value of the fluidtemperature and that the power level, heat transfer coefficient and effective conduction to neigh-boring pebbles and fluid constitute, at best, second order effects. The temperature uncertaintyrange varies from 28 K to 57 K at the core entry and exit planes, respectively, but these val-ues are probably higher. We still have to quantify the significance of these uncertainties in thepreparation of cross sections, which will be postponed for future work. In addition, we verifythat the single effective pebble approach works well for the preparation of region averaged crosssections in the infinite domain approximation. Nevertheless, there are significant discrepanciesin the cross sections when compared to the multi-pebble model. This could affect the predictionof peak values and in the depletion calculation. We conclude that is highly desirable for futurestudies with Griffin to be able to handle both the ?effective? pebble approximation and the multi-pebble approach for the various pebble burnup groups. This enables Griffin users the flexibilityto perform higher-fidelity studies. Finally, we initiate the preparation of cross sections for variouscore regions from the full core Serpent reference model. We quantify the differences in 26 groupcross sections from infinite domain models. These reference cross sections will serve to validatethe double heterogeneity, self-shielding, and spectrum-correction methods in Griffin.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Modeling shockwaves and impact phenomena with Eulerian peridynamics

Most previous development of the peridynamic theory has assumed a Lagrangian formulation, in which the material model refers to an undeformed reference configuration. Here, an Eulerian form of material modeling is developed, in which bond forces depend only on the positions of material points in the deformed configuration. The formulation is consistent with the thermodynamic form of the peridynamic model and is derivable from a suitable expression for the free energy of a material. We show that the resulting formulation of peridynamic material models can be used to simulate strong shock waves and fluid response in which very large deformations make the Lagrangian form unsuitable. The Eulerian capability is demonstrated in numerical simulations of ejecta from a wavy free surface on a metal subjected to strong shock wave loading. The Eulerian and Lagrangian contributions to bond force can be combined in a single material model, allowing strength and fracture under tensile or shear loading to be modeled consistently with high compressive stresses. Furthermore, we demonstrate this capability in numerical simulation of bird strike against an aircraft, in which both tensile fracture and high pressure response are important.

36 MATERIALS SCIENCE↗

Marine Energy Environmental Permitting and Compliance Costs

Costs to permit Marine Energy projects are poorly understood. In this paper we examine environmental compliance and permitting costs for 19 projects in the U.S., covering the last 2 decades. Guided discussions were conducted with developers over a 3-year period to obtain historical and ongoing project cost data relative to environmental studies (e.g., baseline or pre-project site characterization as well as post-installation effects monitoring), stakeholder outreach, and mitigation, as well as qualitative experience of the permitting process. Data are organized in categories of technology type, permitted capacity, pre- and post-installation, geographic location, and funding types. We also compare our findings with earlier logic models created for the Department of Energy (i.e., Reference Models). Environmental studies most commonly performed were for Fish and Fisheries, Noise, Marine Habitat/Benthic Studies and Marine Mammals. Studies for tidal projects were more expensive than those performed for wave projects and the range of reported project costs tended to be wider than ranges predicted by logic models. For eight projects reporting full project costs, from project start to FERC or USACE permit, the average amount for environmental permitting compliance was 14.6%.

16 TIDAL AND WAVE POWER↗

Development of a high-fidelity multi-physics coupling between MCNP6.2 and CTF4.0 for VVER applications

Ensuring system safety in the design, licensing, and operation phases is a priority in the nuclear industry. Performing extensive, full-scale reactor safety experiments is often prohibitive due to the large associated costs. Computational simulations offer an alternative safety analysis method, typically with significant cost reductions. Recent high-level developments in technology and increased availability of computational resources have allowed the development of high-fidelity, high-resolution multi-physics coupled codes. Such developments may be used to generate reference models for deterministic core calculations. Under this framework, the high-fidelity continuous energy Monte Carlo-based neutron transport code MCNP6.2 was coupled externally with the state-of-the-art thermal-hydraulics subchannel code, CTF4.0 for VVER (Water-Water Energetic Reactor) applications. A VVER-1000 fuel assembly model was used to demonstrate the capability of the coupled code. The converged coupled solution is compared to initial results, consisting of the first MCNP evaluation and first CTF evaluation after initialization. The VVER-1000 type assembly results are compared to other evaluations of the same assembly model. The findings indicate good agreement with expectations and reference cases, where available. The initial results of the coupled MCNP6.2/CTF4.0 calculations at the assembly level for steady-state calculations are presented in this study, which may support future work toward high-fidelity coupled full-core modeling capabilities. The multi-physics model may be further improved, enhanced, and expanded for both cycle depletion and transient applications. Such a multi-physics system will also be applicable to the VVER-1200 and other triangular lattice designs and support their deployment and operation safely and economically. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Simulation and Reynolds-averaged Navier-Stokes modeling of a three-component Rayleigh-Taylor mixing problem with thermonuclear burn

Rayleigh-Taylor mixing in the presence of a third component with intermediate density is investigated through three-dimensional large-eddy simulation (LES) with a high-order compact finite-difference code. Two configurations are considered: (1) a symmetric configuration in which the Atwood number between the heavy and intermediate components matches the Atwood number between the intermediate and light components and (2) an asymmetric configuration in which the Atwood number between the heavy and intermediate components is an order of magnitude greater than the Atwood number between the intermediate and light components. Mass fraction covariances are extracted, and proposed Reynolds-averaged Navier-Stokes (RANS) closures for density-specific-volume and density-mass-fraction covariances are evaluated in an a priori fashion. Additionally, a multicomponent extension of the k - Φ - L - a - V RANS model [Morgan, Phys. Rev. E 104, 015107 (2021)] is presented which includes model equations for the upper-triangular elements of the mass fraction covariance matrix. This model, referred to as the k - Φ - L - a - C model, is compared against results from LES and against other RANS models. Profiles of average mass fraction, mass-fraction covariance, and density-specific-volume covariance obtained with the k - Φ - L - a - C model are found to agree well with LES data. Finally, the impact of three-component turbulent mixing on average reaction rate is investigated in both premixed and nonpremixed cases by heating the mixing layer and allowing it to undergo thermonuclear (TN) burn. A closure model for average reaction rate is proposed for use with the k - Φ - L - a - C model, and when this model is applied, improved agreement is obtained between LES and RANS in total TN neutron production.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Non-Boussinesq subgrid-scale model with dynamic tensorial coefficients

A major drawback of Boussinesq-type subgrid-scale stress models used in large-eddy simulations is the inherent assumption of alignment between large-scale strain rates and filtered subgrid-stresses. A priori analyses using direct numerical simulation (DNS) data have shown that this assumption is invalid locally as subgrid-scale stresses are poorly correlated with the large-scale strain rates [J. Bardina, J. Ferziger, and W. Reynolds, Improved subgrid-scale models for large-eddy simulation, in Proceedings of the 13th Fluid and Plasmadynamics Conference, AIAA (1980); C. Meneveau and K. Katz, Scale-invariance and turbulence models for large-eddy simulation, Ann. Rev. Fluid Mech. 32, 1 (2000)]. In the present work, a new, non-Boussinesq subgrid-scale model is presented where the model coefficients are computed dynamically. Some previous non-Boussinesq models have observed issues in providing adequate dissipation of turbulent kinetic energy [e.g., Bardina et al., Proceedings of the 13th Fluid and Plasmadynamics Conference (1980); R. A. Clark, J. Ferziger, and W.C. Reynolds. Evaluation of subgrid-scale models using an accurately simulated turbulent flow, J. Fluid Mech. 91, 1 (1979); S. Stolz and N. A. Adams, An approximate deconvolution procedure for large-eddy simulation, Phys. Fluids 11, 1699 (1999)]; however, the present model is shown to provide sufficient dissipation using dynamic coefficients. Modeled subgrid-scale Reynolds stresses satisfy the consistency requirements of the governing equations for large-eddy simulation (LES), vanish in laminar flow and at solid boundaries, and have the correct asymptotic behavior in the near-wall region of a turbulent boundary layer. The new model, referred to as the dynamic tensor-coefficient Smagorinsky model (DTCSM), has been tested in simulations of canonical flows: decaying and forced homogeneous isotropic turbulence, and wall-modeled turbulent channel flow at high Reynolds numbers. The results show favorable agreement with DNS data. It has been shown that DTCSM offers similar predictive capabilities as the dynamic Smagorinsky model for canonical flows. In order to assess the performance of DTCSM in more complex flows, wall-modeled simulations of high Reynolds number flow over a Gaussian bump (Boeing speed bump) exhibiting smooth-body flow separation are performed. Predictions of surface pressure and skin friction, compared against DNS and experimental data, show improved accuracy from DTCSM in comparison to existing static coefficient (Vreman) and dynamic Smagorinsky model. The computational cost of performing LES with this model is up to 15% higher than the dynamic Smagorinsky model.

42 ENGINEERING↗

Modified 316H constitutive model updated with high temperature stress relaxation test data

This report describes the calibration of a new high temperature constitutive model for 316H stainless steel, suitable for use with the ASME Boiler & Pressure Vessel Section III, Division 5, Class A rules for design by inelastic analysis. The model retains the same mathematical form used by the reference model included in Nonmandatory Appendix Z of the Code, but refits the model to an expanded dataset including all the data used to fit the original model plus seven new stress relaxation tests. The addition of these high temperature stress relaxation tests improves the model's accuracy in predicting relaxation at temperatures greater than 700 ⁰C, without compromising the accuracy of the model versus the original calibration data.

36 MATERIALS SCIENCE↗