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DOE OSTI2023

Variable-moment fluid closures with Hamiltonian structure

Abstract Based on ideas due to Scovel–Weinstein, I present a general framework for constructing fluid moment closures of the Vlasov–Poisson system that exactly preserve that system’s Hamiltonian structure. Notably, the technique applies in any space dimension and produces closures involving arbitrarily-large finite collections of moments. After selecting a desired collection of moments, the Poisson bracket for the closure is uniquely determined. Therefore data-driven fluid closures can be constructed by adjusting the closure Hamiltonian for compatibility with kinetic simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Machine learning surrogate models for Landau fluid closure

The first result of applying the machine/deep learning technique to the fluid closure problem is presented in this letter. As a start, three different types of neural networks (multilayer perceptron (MLP), convolutional neural network (CNN) and two-layer discrete Fourier transform (DFT) network) were constructed and trained to learn the well-known Hammett-Perkins Landau fluid closure in configuration space. We found that in order to train a well-preformed network, a minimum size of training data set is needed; MLP also requires a minimum number of neurons in the hidden layers equals to the degrees of freedom in Fourier space despite training data is fed in configuration space. Out of three models DFT performs the best for the clean data most likely due to the existence of nice Fourier expression for Hammett-Perkins closure but it is least robust with respect to input noise. Overall, with appropriate tuning and optimization, all three neural networks are able to accurately predict Hammett-Perkins closure and reproduce the inherit nonlocal feature, suggesting a promising path to calculate more sophisticated closures with the machine/deep learning technique.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Uncertainty Quantification for Multiphase Computational Fluid Dynamics Closure Relations with a Physics-Informed Bayesian Approach

Multiphase Computational Fluid Dynamics (MCFD) based on the two-fluid model is considered a promising tool to model complex two-phase flow systems. MCFD simulation can predict local flow features without resolving interfacial information. As a result, the MCFD solver relies on closure relations to describe the interaction between the two phases. Those empirical or semi-mechanistic closure relations constitute a major source of uncertainty for MCFD predictions. In this paper, we leverage a physics-informed uncertainty quantification (UQ) approach to inversely quantify the closure relations’ model form uncertainty in a physically consistent manner. This proposed approach considers the model form uncertainty terms as stochastic fields that are additive to the closure relation outputs. Combining dimensionality reduction and Gaussian processes, the posterior distribution of the stochastic fields can be effectively quantified within the Bayesian framework with the support of experimental measurements. As this UQ approach is fully integrated into the MCFD solving process, the physical constraints of the system can be naturally preserved in the UQ results. Here, in a case study of adiabatic bubbly flow, we demonstrate that this UQ approach can quantify the model form uncertainty of the MCFD interfacial force closure relations, thus effectively improving the simulation results with relatively sparse data support.

42 ENGINEERING↗

DOE OSTI2025

Quantum maximum entropy closure for small flavor coherence

Quantum angular moment transport schemes are an important avenue toward describing neutrino flavor mixing phenomena in dense astrophysical environments such as supernovae and merging neutron stars. Successful implementation will require new closure relations that go beyond those used in classical transport. In this paper, we derive the first analytic expression for a quantum M1 closure, valid in the limit of small flavor coherence, based on the maximum entropy principle. We verify that the resulting closure relation has the appropriate limits and characteristic speeds in the diffusive and free-streaming regimes. We then use this new closure in a moment linear stability analysis to search for fast flavor instabilities in a binary neutron star merger simulation and find better results as compared with previously designed, ad hoc , semiclassical closures.

astrophysical & cosmological simulations↗

DOE OSTI2025

Quantum closures for neutrino moment transport

A computationally efficient method for calculating the transport of neutrino flavor in simulations is to use angular moments of the neutrino one-body reduced density matrix, i.e., “quantum moments.” As with any moment-based radiation transport method, a closure is needed if the infinite tower of moment evolution equations is truncated. We derive a general parametrization of a quantum closure and the limits the parameters must satisfy in order for the closure to be physical. We then derive from multiangle calculations the evolution of the closure parameters in two test cases which we then progressively insert into a moment evolution code and show how the parameters affect the moment results until the full multiangle results are reproduced. This parametrization paves the way to setting prescriptions for genuine quantum closures adapted to neutrino transport in a range of situations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Chemical Waste Landfill Annual Post-Closure Care Report, Calendar Year 2019

The Chemical Waste Landfill (CWL) at Sandia National Laboratories/New Mexico (SNL/NM) is a remediated hazardous waste landfill that underwent closure in accordance with Title 20, Chapter 4, Part 1 of the New Mexico Administrative Code (20.4.1.600 NMAC), incorporating Title 40, Code of Federal Regulations (CFR), Part 265, (40 CFR § 265) Subpart G, and the CWL Final Closure Plan (SNL/NM December 1992 and subsequent revisions). The CWL Post- Closure Care Permit (PCCP) (NMED October 2009), which became effective June 2, 2011 (Kieling June 2011) and as modified, defines all post-closure requirements. This ninth CWL Annual Post-Closure Care Report documents all activities and results as required by the PCCP Attachment 1, Section 1.12.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Aerosol-Ice Formation Closure Pilot Study (AEROICSTUDY) Field Campaign Report

The aerosol-ice formation closure pilot study (AEROICESTUDY) was a field campaign conducted at the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility at the Southern Great Plains (SGP) observatory from October 7 to 28, 2019. The purpose of this campaign was to test a field observational approach for conducting an aerosol-ice formation closure study. In other words, the goal was to predict the number of ice nucleating particles (INPs) from the measurements of physical and chemical aerosol properties and compare those to measured INP number concentrations. This project was motivated by the fact that the aerosol community has widely conducted aerosol radiative closure, aerosol-cloud condensation nuclei (CCN), and CCN-droplet closure studies to test the physical models and parameterizations that cloud-resolving and climate models rely on to perform reliable simulations of the Earth system and energy budget. However, very few closure studies related to INPs have been conducted, and to our knowledge, none using robust, size-resolved, ambient aerosol composition measurements as model inputs.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Closures and Simulation for Thermal Radiation Transport in Stochastic Media with Nonlinear Temperature Dependence

Because of the practical challenge of rendering very complex realistic spatial structures for numerical work, it is common practice to resort to characterizing such media as stochastic mixtures of materials, ideally parametrized with low order statistics such as the mean, variance, and correlation functions of the now random material properties. This enables realizations of the medium to be repeatedly generated and radiation transport computations to, in principle, be performed for a large ensemble of these realizations to obtain a statistically well-characterized radiation field. Statistical post-processing yields desired quantities such as conditional and unconditional mean radiation flux and probability distributions of transmitted radiation. However, such computations prove expensive for all but the simplest stochastic geometries and are most suited for benchmarking approximate models. The most common approximations lead to homogenized media so that transport computations are required only on a single medium realization but by construct provide only limited statistical information on the radiation field. Almost all approximate approaches to this problem attempt to develop equations for low order moments of the radiation intensity (mean, second moment, correlation function) but inevitably encounter a closure problem: the equation for any statistical moment will contain terms depending on unknown higher-order moments. Thus, the challenge shifts to one of developing closure relations that relate the unknown moments to the lower order moments. Under very special conditions, an exact closure can be derived but in general closures are heuristically stated constitutive relations. Also, closure approaches depend on whether the mixing statistics are spatially and/or temporally continuous as in fluctuating turbulent fields, or discontinuous as in randomly mixed solid chunks of material. Thus, unconditional averaging is generally applied in the former case but conditional averaging is more appropriate when the mixing is discontinuous. In this work, the emphasis is on binary statistical mixtures of immiscible fluids as as such the quantities of interest are averages (flux, temperature) conditioned on the material type.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Improbability of Nuclear Criticality in Compacted Criticality Control Overpacks after Room Closure by Salt Creep at Waste Isolation Pilot Plant

Based on the rationale presented, nuclear criticality is improbable after salt creep causes compaction of criticality control overpacks (CCOs) disposed at the Waste Isolation Pilot Plant, an operating repository in bedded salt for the disposal of transuranic (TRU) waste from atomic energy defense activities. For most TRU waste, the possibility of post-closure criticality is exceedingly small either because the salt neutronically isolates TRU waste canisters or because closure of a disposal room from salt creep does not sufficiently compact the low mass of fissile material. The criticality potential has been updated here because of the introduction of CCOs, which may dispose up to 380 fissile gram equivalent plutonium-239 in each container. The criticality potential is evaluated through high-fidelity geomechanical modeling of a disposal room filled with CCOs during two representative conditions: (1) large salt block fall, and (2) gradual salt compaction (without brine seepage and subsequent gas generation to permit maximum room closure). Geomechanical models of rock fall demonstrate three tiers of CCOs are not greatly disrupted. Geomechanical models of gradual room closure from salt creep predict irregular arrays of closely packed CCOs after 1000 years, when room closure has asymptotically approached maximum compaction. Criticality models of spheres and cylinders of 380 fissile gram equivalent of plutonium (as oxide) at the predicted irregular spacing demonstrate that an array of CCOs is not critical when surrounded by salt and magnesium oxide, provided the amount of hydrogenous material shipped in the CCO (usually water and plastics) is controlled or boron carbide (a neutron poison) is mixed with the fissile contents.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1975

Turbulence processes and simple closure schemes

The closure problem in turbulence is reviewed, and some simple closure schemes are introduced. Processes occurring in turbulent flow are discussed on the basis of solutions for some elementary flows such as homogeneous turbulence with and without uniform shear. Closure by specification of initial conditions, and finally practical closure schemes for more complicated flows are considered. The latter include Reynolds stress, eddy viscosity, and mixing-length closures.

Deissler, R. G.↗

NASA NTRS1975

Turbulence processes and simple closure schemes

The closure problem in turbulence is briefly reviewed, and some simple closure schemes are introduced. Processes occurring in turbulent flow are discussed on the basis of solutions for some elementary flows such as homogeneous turbulence with and without uniform shear. Closure by specification of initial conditions, and finally practical closure schemes for more complicated flows (e.g., pipe flows) are considered briefly. The latter include Reynolds stress, eddy viscosity, and mixing-length closures.

Deissler, R. G.↗

NASA NTRS1976

Closure and ratio correlation analysis of lunar chemical and grain size data

Major element and major element plus trace element analyses were selected from the lunar data base for Apollo 11, 12 and 15 basalt and regolith samples. Summary statistics for each of the six data sets were compiled, and the effects of closure on the Pearson product moment correlation coefficient were investigated using the Chayes and Kruskal approximation procedure. In general, there are two types of closure effects evident in these data sets: negative correlations of intermediate size which are solely the result of closure, and correlations of small absolute value which depart significantly from their expected closure correlations which are of intermediate size. It is shown that a positive closure correlation will arise only when the product of the coefficients of variation is very small (less than 0.01 for most data sets) and, in general, trace elements in the lunar data sets exhibit relatively large coefficients of variation.

Butler, J. C.↗

NASA NTRS1983

A correlation analysis of percent canopy closure versus TMS spectral response for selected forest sites in the San Juan National Forest, Colorado

The correlation of canopy closure with the signal response of individual thematic mapper simulator (TMS) bands for selected forest sites in the San Juan National Forest, Colorado was investigated. Ground truth consisted of a photointerpreted determination of percent canopy closure of 0 to 100 percent for 32 sites. The sites selected were situated on plateaus at an elevation of approximately 3 km with slope or = 10 percent. The predominant tree species were ponderosa pine and aspen. The mean TMS response per band per site was calculated from data acquired by aircraft during mid-September, 1981. A correlation analysis of TMS response vs. canopy closure resulted in the following correlation coefficients for bands 1 through 7, respectively: -0.757, -0.663, -0.666, -0.088, -0.797, -0.763. Two model regressions were applied to the TMS data set to create a map of predicted percent forest canopy closure for the study area. Results indicated percent predictive accuracies of 71, 74, and 57 for percent canopy closure classes of 0-25, 25-75, and 75-100, respectively.

Butera, M. K.↗

NASA NTRS1984

Evaluation of the effect of crack closure on fatigue crack growth of simulated short cracks

A test program was performed to determine the influence of crack closure on fatigue crack growth (FCG) rates of short cracks. By use of the standard compact tension specimen, test procedures were devised to evaluate closure loads in the wake of the crack behind its tip. The first procedure determined the magnitude of crack closure as a function of the fatigued crack wave by incrementally removing the contacting wake surfaces and measuring closure load at each increment. The second procedure used a low-high loading sequence to simulate short crack behavior. Based on the results, it was concluded that crack closure is not the major reason for the more rapid growth of short cracks as compared to long crack growth.

Telesman, J.↗

NASA NTRS1986

Influence of fatigue crack wake length and state of stress on crack closure

The location of crack closure with respect to crack wake and specimen thickness under different loading conditions was determined. The rate of increase of K sub CL in the crack wake was found to be significantly higher for plasticity induced closure in comparison to roughness induced closure. Roughness induced closure was uniform throughout the thickness of the specimen while plasticity induced closure levels were 50 percent higher in the near surface region than in the midthickness. The influence of state of stress on low-high load interaction effects was also examined. Load interaction effects differed depending upon the state of stress and were explained in terms of delta K sub eff.

Telesman, J.↗

NASA NTRS1988

Influence of fatigue crack wake length and state of stress on crack closure

Telesman, Jack↗

NASA NTRS1989

The generalized drift flux approach: Identification of the void-drift closure law

The main characteristics and the potential advantages of generalized drift flux models are presented. In particular it is stressed that the issue on the propagation properties and on the mathematical nature (hyperbolic or not) of the model and the problem of closure are easier to tackle than in two fluid models. The problem of identifying the differential void-drift closure law inherent to generalized drift flux models is then addressed. Such a void-drift closure, based on wave properties, is proposed for bubbly flows. It involves a drift relaxation time which is of the order of 0.25 s. It is observed that, although wave properties provide essential closure validity tests, they do not represent an easily usable source of quantitative information on the closure laws.

Boure, J. A.↗

NASA NTRS1991

Second-order near-wall turbulence closures - A review

Advances in second-order near-wall turbulence closures are summarized. All closures under consideration are based on high-Reynolds-number models. Most near-wall closures proposed to date attempt to modify the high-Reynolds-number models for the dissipation function and the pressure redistribution term so that the resultant models are applicable all the way to the wall. The asymptotic behavior of the near-wall closures is examined and compared with the proper near-wall behavior of the exact Reynolds-stress equations. It is found that three second-order near-wall closures give the best correlations with simulated turbulence statistics. However, their predictions of near-wall Reynolds-stress budgets are considered to be incorrect. A proposed modification to the dissipitation-rate equation remedies part of those predictions. It is concluded that further improvements are required if a complete replication of all the turbulence properties and Reynolds-stress budgets by a statistical model of turbulence is desirable.

So, R. M. C.↗