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DOE OSTI2022

Big Hill Geomechanical Analysis Using M-D Viscoplastic Material Model

The integrity of wellbores at the interbed between the caprock and salt is a serious concern in the Big Hill site. For the remediation and life extension of wellbores, more accurate predictions from the global model are needed. The Big Hill global model is improved using the M-D viscoplastic contact surface model and the mesh containing the interbed layer with contact surfaces between the salt and caprock layers, and fault blocks in overburden and caprock layers. The model calibration has been performed based on the cavern volumetric closures obtained from the Caveman calculations. The results agree well from 1991 to the early 2000s. The difference starts to widen after that, it might be because of frequent fluid movement and raw water injection. Therefore, the predictions from this improved model could be used to examine the structural integrity of caverns in Big Hill salt dome.

42 ENGINEERING↗

NASA NTRS1973

The development and preliminary application of an invariant coupled diffusion and chemistry model

In many real-world pollution chemical reaction problems, the rate of reaction problems, the rate of reaction may be greatly affected by unmixedness. An approximate closure scheme for a chemical kinetic submodel which conforms to the principles of invariant modeling and which accounts for the effects of inhomogeneous mixing over a wide range of conditions has been developed. This submodel has been coupled successfully with invariant turbulence and diffusion models, permitting calculation of two-dimensional diffusion of two reacting (isothermally) chemical species. The initial calculations indicate the ozone reactions in the wake of stratospheric aircraft will be substantially affected by the rate of diffusion of ozone into the wake, and in the early wake, by unmixedness.

Hilst, G. R.↗

DOE OSTI2020

Nuclear Criticality Safety Assessment of Criticality Control Containers without Moderation Control at the Waste Isolation Pilot Plant

The Waste Isolation Pilot Plant (WIPP) provides for safe, permanent disposal of government-owned transuranic (TRU) and TRU mixed wastes. Receipt and disposal of waste at the WIPP site began in March 1999. The Sandia report, Consideration of Nuclear Criticality When Disposing of Transuranic Waste at the Waste Isolation Pilot Plant, addressed potential nuclear criticality safety issues based on the projected inventory characteristics known at the time [1]. As designs for inventory, waste forms, and disposal packages have changed, new analyses have been performed, and updates have been made to address any potential effects to the WIPP safety basis. New analyses performed include Saylor 2017 [2] and Brickner 2019 [3], which address certain waste containers with specified loadings under post-closure conditions. Both examined several hypothetical scenarios and included analyses to bound (from a criticality potential standpoint) credible configurations that could occur at WIPP during the repository regulatory post-closure disposal time period for feature, event, and process (FEP) considerations—10,000 years. During this post-closure period at WIPP, the screening of FEPs is governed by the risk-based standards and implementing regulations of the US Environmental Protection Agency (EPA) (i.e., 40 CFR 191 and 40 CFR 194, respectively) [4,5]. An FEP screening can be based on either a low-consequence or low-probability rationale. A low-probability rationale includes either (a) a qualitative rationale that the FEP is not credible or (b) a quantitative demonstration that the probability is less than 10-4 in 104 years. In this evaluation, a qualitative lowprobability rationale of not credible is used by demonstrating that bounding configurations of the waste are not critical. The demonstration of subcriticality is through quantitative calculations, but a probability of criticality is not evaluated. Rather, the rationale for this evaluation is that bounding configurations with an effective neutron multiplication factor (keff) well below the upper subcriticality limit (USL) make criticality incredible. Reference [2] documented a nuclear criticality assessment of the WIPP repository for disposal of dilute surplus plutonium materials using the Dilute and Dispose Approach and packaging in criticality control overpacks (CCOs). The CCO is the waste disposal container recently designed to allow for up to 380 fissile gram equivalent (FGE) 239 Pu per drum, which is a higher fissile loading than typical waste containers. The CCO consists of a criticality control container (CCC) positioned by upper and lower plywood spacers within a standard 55 gal drum. The CCC is used to establish a geometry control for fissile materials during transportation and WIPP emplacement operations. The current WIPP waste acceptance criteria for CCO payloads limit beryllium to less than or equal to 1% by weight of the waste contents and require the waste form to be non-machine compacted. Reference [2] considered two scenario progressions—room closure from salt creep, hereafter referred to as the reconfigured dry scenario, and flooding with brine, hereafter referred to as the reconfigured wet scenario. The subsequent drying out of the reconfigured wet scenarios was also considered. For all scenarios, subcriticality was maintained when 50 g of B 4 C (acting as a neutron absorber) per CCC was intermixed within the plutonium disposition waste form. The analysis used a waste form description that limits the amount of moderation that could be present within the waste form (i.e., it limits the amount of water and polyethylene that could be present based on planned processing conditions). This analysis to evaluate increased limits on the amount of moderation that could be present was performed as a companion to Reference [2] to address concerns associated with verifying moisture and/or plastic contents of waste materials following packaging of dilute surplus plutonium in the CCO. To that end, this analysis used the models and methods from Reference [2] to evaluate a more generic base waste form consisting of water and polyethylene that is more similar (and nearly identical) to the generic waste forms utilized in other models/analyses supporting the TRU Package Transporter Model II (TRUPACTII) safety analysis [6] (all are without moderation controls). The waste form in this analysis uses a base mixture of 75% water and 25% polyethylene, the total amount of which is varied to determine the optimum moderation to fissile material (H/Pu) ratio. The fissile loading is maintained at up to 380 FGE 239 Pu (modeled as PuO 2 ) per CCO with an additional 545 g of beryllium (to bound the 1% by weight contents restriction) and 50 g of B 4 C intermixed per CCO. The beryllium content (1% by weight) is based on the total allowed waste weight (this does not include packaging and container weights). Figures ES-1 and ES-2 display summary results, showing that with this model including 50 g of B 4 C per CCO, the system keff remains under 0.85 for all moderator amounts and provides a significant margin against post-closure criticality under postulated bounding conditions for compaction. Figure ES-1 compares an infinite model with a room model at the initial emplacement spacing and under full radial compaction. Full radial compaction places each CCC in direct contact and does not credit any anticipated spacing associated with current post-closure geomechanical modeling of the repository [7]. The effects of variations in the H/Pu ratio were evaluated by varying the amount of the water/polyethylene component of the waste model, with fissile loading maintained at 380 239 Pu FGE. Similarly, Figure ES-2 illustrates how various amounts of B 4 C per CCO influence k eff at different radial compactions, all at the H/Pu ratio of 200 (in the room array model). Therefore, while the results from Saylor 2017 [2] modeled more realistic process limits associated with packaging of dilute surplus plutonium, this analysis demonstrates that limits on moderation (plastic and water content) are not necessary to ensure subcriticality in the WIPP repository, provided the requisite B 4 C absorber is present.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Co-optimized machine-learned manifold models for large eddy simulation of turbulent combustion

Many modeling approaches in large eddy simulation (LES) of turbulent combustion employ a projection of the thermochemical state onto a low-dimensional manifold within state space to reduce the number of transported variables and hence computational cost. Flamelet-generated manifolds (FGM) is an example of a well-established, physics-based approach, but increasingly, principal component analysis (PCA) is being used as a data-driven method for generating manifold models. For both approaches, the nonlinear relationship between the location on the predefined manifold and the outputs of interest, such as reaction rates, can be tabulated or encoded in a neural network. This work proposes a new approach for manifold modeling that extends these existing approaches. A modified neural network structure simultaneously encodes the definition of the manifold variables, the nonlinear mapping, and the subfilter closure for LES. This allows all three of these aspects of the model to be co-optimized, generating a model from any source of combustion thermochemical state data. The manifold parameterizing variables are constrained to be linear combinations of species, as in FGM and PCA-based models, to aid in interpretability and implementation. For LES, subfilter variances of the manifold variables are also included as inputs. Two types of a priori analysis are performed to evaluate the new approach. In the first, the model is trained on data from one-dimensional premixed flames. In this case, the approach recovers the behavior of flamelet-based manifold approaches, and in fact slightly improves performance by identifying an optimized progress variable. The approach is also applied to data from direct numerical simulations of spherical ignition kernels in isotropic turbulence. For any specified manifold dimensionality, the new approach provides substantially lower prediction errors than a PCA-based model developed from the same data set. Additionally, the LES formulation of the new approach can provide accurate predictions for filtered reaction rates across a variety of filter widths.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2024

System Engineering & Integration (SE&I) In-Situ Resource Utilization (ISRU) Modeling and Analysis (SIMA)

NASA developed a flexible system modeling framework of integrated ISRU and ISRU related subsystem models: MAIT (Mission Analysis & Integration Tool) that enables point solutions, optimization, and/or parametric studies at the system level to predict mission architecture mass, power, and volume and provides accessible consolidated database that categorizes specific ISRU and ISRU related subsystem variables common between NASA & industry. Directly and indirectly addresses multiple STMD shortfalls: - ISRU-581 - ‘ISRU System Modeling’: Establish a modular end-to-end ISRU system modeling & analysis capability by leveraging and evolving prior, on-going, and future investments - More than an ISRU system modeling tool, MAIT integrates power, excavation, Environmental Control & Life Support System (ECLSS), Cryogenic Fluid Management (CFM) liquification, & compares surface ops & environments, to assist in the closure of other related ISRU shortfalls Adheres to governing NASA procedures for Models & Simulations (NASA-HDBK-7009) & AIAA standards for Mass Properties Control for Space Systems.

Modeling↗

NASA NTRS1985

Analytical model for large-scale turbulence

The paper presents an analytical model for large-scale turbulence, based on a new closure which depends on the growth rate of the instability-generating turbulence. For convection in stars the results of the mixing-length theory are recovered, and for laboratory convection the N = R to the 1/3 power law is recovered. The present model can readily be extended to include magnetic fields and rotation.

Canuto, V. M.↗

DOE OSTI2021

A multispecies turbulence model for the mixing and de-mixing of miscible fluids

A de-mix capable model for turbulence in compressible, variable density flows is proposed. The model is based on the Besnard-Harlow-Rauenzahn (BHR) family of models (Besnard D, Harlow F, Rauenzahn R, et al. Turbulence transport equations for variable-density turbulence and their relationship to two-field models. NM (United States): Los Alamos National Laboratory; 1992 (Technical Report LA-12303-MS), but is extended to track the evolution of the turbulent fluxes and fluctuations in the material mass fractions for each species present. The new evolution equations are introduced without requiring additional closures or new empirically tuned coefficients relative to previous BHR models, and are shown to improve the model’s ability to reproduce the behaviour of simulations containing mixing layers that are constrained by a stabilising force. As a result, the model is tested in a range of canonical flows including Rayleigh-Taylor driven, shock driven, and shear driven turbulence, and is shown to produce reasonable agreement with simulations and experiments in these scenarios.

42 ENGINEERING↗

NASA NTRS1979

Review of the metallographic cooling rates of meteorites and a new model for the planetesimals in which they formed

The cooling rates of meteorites through approximately 900 -650 K, as read from their metal alloy compositions, are reviewed. Metallographic cooling rates are compared with the cooling rates that appear to be required by the K/Ar and Ar-40/Ar-39 ages of five meteorite classes, and discrepancies are found in all cases. Either (1) the metallographic cooling rates (and also Pu-244 fission cooling rates) are systematically in error, being too slow by a factor of approximately 6; or (2) the traditional thermal model for parent meteorite planets (having constant dimension and uniform physical properties) is oversimplified and the Ar closure temperatures for chondrites derived by Turner et al. (1978) are too low. An alternative parent planet model is proposed and numerically modeled, in which accretion of thermally insulating particulate matter, heat generation by Al-26 decay, melting or sintering of the particulate matter into conductive rock, and establishment of the properties of the meteorites occurred concurrently. Meteorite chronologies are somewhat easier to understand in this context, since the initially small, hot (thus sintered and conductive) bodies would have cooled rapidly to isotopic closure, but later cooling might have been much slower as a result of the continued accretion of insulating particulate matter.

Wood, J. A.↗

NASA NTRS1989

Turbulence modeling for hypersonic flows

Turbulence modeling for high speed compressible flows is described and discussed. Starting with the compressible Navier-Stokes equations, methods of statistical averaging are described by means of which the Reynolds-averaged Navier-Stokes equations are developed. Unknown averages in these equations are approximated using various closure concepts. Zero-, one-, and two-equation eddy viscosity models, algebraic stress models and Reynolds stress transport models are discussed. Computations of supersonic and hypersonic flows obtained using several of the models are discussed and compared with experimental results. Specific examples include attached boundary layer flows, shock wave boundary layer interactions and compressible shear layers. From these examples, conclusions regarding the status of modeling and recommendations for future studies are discussed.

Marvin, J. G.↗

NASA NTRS1989

Turbulence modeling for hypersonic flows

Marvin, J. G.↗

NASA NTRS1995

The lognormal distribution as a model for bio-optical variability in the sea

The lognormal distribution is presented as a useful model for bio-optical variability at a variety of spatial and temporal scales. A parametric statistical framework is presented for using the lognormal model to assess the effects of heterogeneity and scale on closure. Variability at small scales affects but is unresolved by large-scale measurements. An assumed lognormal distribution allows one to integrate over small-scale variability to predict large-scale measurements. Examples are presented to demonstrate how knowledge of the variance can be incorporated into models to relate measurements made at different scales.

Campbell, Janet W.↗

NASA NTRS2012

Availability Estimation for Facilities in Extreme Geographical Locations

A value added analysis for the Reliability. Availability and Maintainability of McMurdo Ground Station was developed, which will be a useful tool for system managers in sparing, maintenance planning and determining vital performance metrics needed for readiness assessment of the upgrades to the McMurdo System. Output of this study can also be used as inputs and recommendations for the application of Reliability Centered Maintenance (RCM) for the system. ReliaSoft's BlockSim. a commercial Reliability Analysis software package, has been used to model the availability of the system upgrade to the National Aeronautics and Space Administration (NASA) Near Earth Network (NEN) Ground Station at McMurdo Station in the Antarctica. The logistics challenges due to the closure of access to McMurdo Station during the Antarctic winter was modeled using a weighted composite of four Weibull distributions. one of the possible choices for statistical distributions throughout the software program and usually used to account for failure rates of components supplied by different manufacturers. The inaccessibility of the antenna site on a hill outside McMurdo Station throughout one year due to severe weather was modeled with a Weibull distribution for the repair crew availability. The Weibull distribution is based on an analysis of the available weather data for the antenna site for 2007 in combination with the rules for travel restrictions due to severe weather imposed by the administrating agency, the National Science Foundation (NSF). The simulations resulted in an upper bound for the system availability and allowed for identification of components that would improve availability based on a higher on-site spare count than initially planned.

Fischer, Gerd M.↗

DOE OSTI2022

Phase-field framework with constraints and its applications to ductile fracture in polycrystals and fatigue

Abstract Modeling of ductile fracture in polycrystalline structures is challenging, since it requires integrated modeling of cracks, crystal plasticity, and grains. Here we extend the typical phase-field framework to the situations with constraints on the order parameters, and formulate two types of phase-field models on ductile fracture. The Type-I model incorporates three sets of order parameters, which describe the distributions of cracks, plastic strain, and grains, respectively. Crystal plasticity is employed within grain interiors accommodated by J 2 plasticity at grain boundaries. The applications of the Type-I model to single crystals and bicrystals demonstrate the influences of grain orientations and grain boundaries on crack growth. In the Type-II model, J 2 plasticity is assumed for the whole system and grain structures are neglected. Taking advantage of the efficiency of the fast Fourier transform, our Type-II model is employed to study low cycle fatigue. Crack closure and striation-like patterning of plastic strain are observed in the simulations. Crack growth rate is analyzed as a function of the J -integral, and the simulated fatigue life as a function of plastic strain agrees with the Coffin–Manson relation without a priori assumption.

36 MATERIALS SCIENCE↗

NASA NTRS1992

Turbulence modeling for hypersonic flows

Turbulence modeling for high-speed compressible flows is described and discussed. Starting with the compressible Navier-Stokes equations, methods of statistical averaging are described by means of which the Reynolds-averaged Navier-Stokes equations are developed. Unknown averages in these equations are approximated using various closure concepts. Zero-, one-, and two-equation eddy viscosity models, algebraic stress models, and Reynolds stress transport models are discussed. Computations of supersonic and hypersonic flows obtained using several of the models are discussed and compared with experimental results. Specific examples include attached boundary-layer flows, shock-wave boundary-layer interactions, and compressible shear layers. From these examples, conclusions regarding the status of modeling and recommendations for future studies are discussed.

Marvin, J. G.↗

NASA NTRSDate not supplied

Composite Progressive Delamination Analysis of Thin Ply Buckling

The NASA Advanced Composites Project is a multi-year consortium of government, industry and academia to develop and validate technology that will reduce development and certification of advanced composite materials for aircraft structures. One of its tasks is to simulate and predict composite damage progression accurately through high fidelity finite element models. It included a subtask to verify an approach based on the Virtual Crack Closure Technology (VCCT) as well as Floating Node Method (FNM). This paper discusses predicted damage onset and growth in a thin-ply buckling problem. Sensitivity of the simulations to various initial crack length is studied. The compressive load-displacement curves are plotted and the crack growth critical load is predicted. Overall, the crack progression follows simulation benchmarks well. However, the critical-load overshoot phenomenon is observed in both VCCT and FNM, suggesting further investigation may be worth pursuing.

damage progression↗

NASA NTRS1994

Prediction of fatique crack growth under flight-simulation loading with the modified CORPUS model

The CORPUS (Computation Of Retarded Propagation Under Spectrum loading) crack growth prediction model for variable-amplitude loading, as introduced by De Koning, was based on crack closure. It includes a multiple-overload effect and a transition from plane strain to plane stress. In the modified CORPUS model an underload affected zone (ULZ) is introduced, which is significant for flight-simulation loading in view of the once per flight compressive ground load. The ULZ is associated with reversed plastic deformation induced by the underloads after crack closure has already occurred. Predictions of the crack growth fatigue life are presented for a large variety of flight-simulation test series on 2024-T3 sheet specimens in order to reveal the effects of a number of variables: the design stress level, the gust spectrum severity, the truncation level (clipping), omission of small cycles, and the ground stress level. Tests with different load sequences are also included. The trends of the effects induced by the variables are correctly predicted. The quantitative agreement between the predictions and the test results is also satisfactory.

Padmadinata, U. H.↗

NASA NTRS1983

A two-equation turbulence model for two-phase flows

A two-equation turbulence model has been developed for predicting two-phase flows. The two equations describe the conservation of turbulence kinetic energy and dissipation rate of that energy for the carrier fluid in a two-phase flow. They have been derived rigorously from the momentum equations of the carrier fluid. Closure of the time-mean equations is achieved by modeling the turbulent correlations up to third order. The new model eliminates the need to simulate in an ad hoc manner the effects of the dispersed phase on turbulence structure. Preliminary testing indicates that the model is successful in predicting the main features of a round gaseous jet laden with uniform-size solid particles.

Elghobashi, S. E.↗

NASA NTRS1996

Annual Research Briefs - 1996, Center for Turbulence Research

Partial contents include: (1) Simulation of jet impingement heat transfer with the k-e-V2 model; (2) A new methodology for turbulence modelers using Direct Numerical Simulation (DNS) database analysis; (3) A particle representation model for the deformation of homogeneous turbulence; (4) Modeling of inhomogeneous compressible turbulence using a two-scale statistical theory; (5) Lewis number effects on partially premixed flames; (6) Conditional moment closure of mixing and reaction in turbulent non-premixed combustion; (7) Dynamic models for LES of turbulent front propagation with a spectral method; (8) Jet noise using large eddy simulation; (9) Towards numerical simulations of trailing-edge aeroacoustics; (10) A model for the onset of vortex breakdown; (11) Compressing an elliptic vortex: transition to turbulence by tumble breakdown; (12) A new method for the adaptive control of vortex-wall interactions; (13) Symmetries in turbulent boundary layer flows; (14) Near-wall models in large eddy simulations of flow behind a backward-facing step; (15) Assessment of the subgrid-scale models at low and high Reynolds numbers; (16) Large-eddy simulations of flow around a NACA 4412 airfoil using unstructured grids; (17) Progress on LES of flow past a circular cylinder; (18) Experimental investigation of flow through an asymmetric plane diffuser; (19) Progress in the large-eddy simulation of an asymmetric plane diffuser; (20) A numerical study of self-similarity in a turbulent plane wake using large-eddy simulation; (21) On the generation of turbulent inflow conditions for boundary layer simulations, and (22) A new class of finite difference schemes.

COMPUTATIONAL FLUID DYNAMICS↗