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DOE OSTI2024

Physics-Reinforced Machine Learning Algorithms for Multiscale Closure Model Discovery

The central objective of this project was to address the challenge of modeling and simulating complex multiscale turbulence phenomena by leveraging physics-guided machine learning (PGML) and hybrid modeling approaches. By integrating physics-based methods with data-driven models, the research focused on achieving robust and scalable solutions for geophysical turbulence, enhancing numerical weather prediction and climate research tools. The project resulted in significant advancements in computational modeling paradigms, predictive tools for reduced-order modeling, and innovative algorithms for fluid dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2015

North American Extreme Temperature Events and Related Large Scale Meteorological Patterns: A Review of Statistical Methods, Dynamics, Modeling, and Trends

The objective of this paper is to review statistical methods, dynamics, modeling efforts, and trends related to temperature extremes, with a focus upon extreme events of short duration that affect parts of North America. These events are associated with large scale meteorological patterns (LSMPs). The statistics, dynamics, and modeling sections of this paper are written to be autonomous and so can be read separately. Methods to define extreme events statistics and to identify and connect LSMPs to extreme temperature events are presented. Recent advances in statistical techniques connect LSMPs to extreme temperatures through appropriately defined covariates that supplement more straightforward analyses. Various LSMPs, ranging from synoptic to planetary scale structures, are associated with extreme temperature events. Current knowledge about the synoptics and the dynamical mechanisms leading to the associated LSMPs is incomplete. Systematic studies of: the physics of LSMP life cycles, comprehensive model assessment of LSMP-extreme temperature event linkages, and LSMP properties are needed. Generally, climate models capture observed properties of heat waves and cold air outbreaks with some fidelity. However they overestimate warm wave frequency and underestimate cold air outbreak frequency, and underestimate the collective influence of low-frequency modes on temperature extremes. Modeling studies have identified the impact of large-scale circulation anomalies and landatmosphere interactions on changes in extreme temperatures. However, few studies have examined changes in LSMPs to more specifically understand the role of LSMPs on past and future extreme temperature changes. Even though LSMPs are resolvable by global and regional climate models, they are not necessarily well simulated. The paper concludes with unresolved issues and research questions.

Cold Spells↗

DOE OSTI2020

Vadose Zone Model for SALDS for Composite Analysis

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Vadose Zone Model for SALDS for Composite Analysis

The objectives of the vadose modeling for the updated Hanford Site composite analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates for the plateau to river (P2R) model, version 8.3 (CP-57037, Model Package Report: Plateau to River Groundwater Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed “dry” in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort: carbon-14 (C-14), chlorine-36 (Cl-36), tritium (H-3), iodine-129 (I-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (Tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thorium-230 (Th-230). The simulation time starts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070. The parallel version of the Subsurface Transport Over Multiple Phases (STOMP1) simulator, officially named the exascale Subsurface Transport Over Multiple Phases (eSTOMP) is used to simulate flow and transport for the vadose models. The documentation for the STOMP code is comprehensive. The theoretical and numerical approaches applied in the STOMP code are documented in a published theory guide (PNNL-12030, STOMP Subsurface Transport Over Multiple Phases Version 2.0 Theory Guide). The code has undergone a rigorous verification procedure against analytical solutions, laboratory-scale experiments, and field-scale demonstrations. The application guide (PNNL-11216, STOMP Subsurface Transport Over Multiple Phases Application Guide) provides instructive examples in the application of the code to classical groundwater problems. The user’s guide (PNNL-15782, STOMP: Subsurface Transport Over Multiple Phases Version 4.0: User’s Guide) describes the general use, input file formatting, compilation, and execution of the code. The primary output of the vadose zone modeling is radionuclide transfer rates to the groundwater for input into the P2R model. The rates will be summed over the 100 by 100 m P2R grid cells that fall within the vadose zone model source domain. The Hanford Site Central Plateau was subdivided into 26 individual vadose zone models, with 13 in the 200 East Area and 13 in the 200 West Area. Waste sites that have a completed performance assessment (PA) or past-leak analysis were not included as sources of radionuclides. Instead the vadose zone to groundwater transfer rates of the Environmental Restoration Disposal Facility, Integrated Disposal Facility, US Ecology, and Waste Management Area C (WMA C) PAs and the past-leak analysis for WMA C were used as direct input to the P2R model. Each of the vadose zone models is documented in separate environmental calculation files (ECFs). This ECF describes the State-Approved Land Disposal Site (SALDS) model. The scope of this ECF is to document the development and results of the SALDS vadose zone model. CP-63515, Model Package Report: Central Plateau Vadose Zone Models, describes the approach, assumptions, process of determining the number of models required and domain of each model, input data, and processing common to all the models.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1990

Accretion disk emission from a BL Lacertae object

The accretion disk is an attractive model for BL Lac objects because of its preferred axis and high efficiency. While the smooth continuum spectra of BL Lacs do not show large UV bumps, in marked contrast to quasars, high quality simultaneous data do reveal deviations from smoothness. Using detailed calculations of cool accretion disk spectra, the best measured ultraviolet and soft x ray spectra of the BL Lac object PKS 2155-304 are fitted. The mass and accretion rate required are determined. A hot disk or corona could comptonize soft photons from the cool disk and produce the observed power law spectrum in the 1 to 10 keV range. The dynamic time scales in the disk regions that contribute most of the observed ultraviolet and soft x ray photons are consistent with the respective time scales for intensity variations. The mass derived from fitting the continuum spectrum is consistent with the limit derived from the fastest hard x ray variability.

Urry, C. Megan↗

NASA NTRS1971

Simulation of Mariner Mars 1971 spacecraft

Preparation for the Mariner Mars 1971 mission is reported, including an extensive training program for operations personnel during which the primary source of spacecraft data was a computer program simulating the spacecraft. The objectives of a simulation model for training purposes differed from objectives appropriate to a design or analysis model. Model subsystems were designed to provide realistic telemetry data reflecting changes due both to commands and environmental parameters affecting the spacecraft at various times during the mission. The spacecraft is modeled along two separate functional lines. Boolean operations are concentrated in the spacecraft logic model, which determines the spacecraft state or mode, while mathematical operations or algorithms are executed in computational subsystem models. Although logic parameters are interrogated as a part of each computational pass, actual logic model processing occurs only when a change-of-state input is generated by the operations organization. The program design, some of the special characteristics of each of the modeled subsystems, and how the model was used in support of mission operations training are presented.

Ausman, N. E., Jr.↗

NASA NTRS2017

Performance Optimizing Multi-Objective Adaptive Control with Time-Varying Model Reference Modification

This paper presents a new adaptive control approach that involves a performance optimization objective. The problem is cast as a multi-objective optimal control. The control synthesis involves the design of a performance optimizing controller from a subset of control inputs. The effect of the performance optimizing controller is to introduce an uncertainty into the system that can degrade tracking of the reference model. An adaptive controller from the remaining control inputs is designed to reduce the effect of the uncertainty while maintaining a notion of performance optimization in the adaptive control system.

Adaptive Control↗

NASA NTRS1992

Model scattering envelopes of young stellar objects. I - Method and application to circumstellar disks

We describe a Monte Carlo code that accurately treats multiple scattering, absorption, and polarization by dust, and use this code to calculate images of dusty disks around young stellar objects. We present some approximate analytic results that describe the behavior of the Monte Carlo calculations. A geometrically thin disk illuminated by a central T Tauri star scatters very little light at distances of many AU from the star. Viewed at any inclination, the flux scattered by such a disk at the distance to the nearest star-forming region will be overwhelmed by the stellar image. An optically thick disk that has a flaring surface may be observable, especially if viewed nearly edge-on so that the stellar source becomes occulted. An optically thin disk with a finite opening angle, similar to the one surrounding beta Pictoris, is about as observable as the typical flared optically thick disk at a similar distance from the earth. The polarization position angle is perpendicular to the disk plane in all of the models, in contrast to observations of many young stellar objects which have the position angle oriented parallel to the presumed disk plane. We suggest that the scattered light structures observed around many premain-sequence objects are dusty envelopes rather than disks.

Whitney, Barbara A.↗

DOE OSTI2020

ISOCS-based Extended In Situ Gamma Spectrometry Services Tool SuperISOCS for Waste Measurements - 20275

Canberra's In Situ Object Counting System (ISOCS) is an established tool used for gamma spectrometry. It allows physical representation of complex geometries and mathematical calculation of the calibration function while avoiding the need for radioisotope standards. ISOCS provides a large range of templates to generate the geometry for most nuclear waste components in nuclear facilities. Nonetheless, there are some complex geometries where the accuracy attainable is limited by the conventional ISOCS templates. An ISOCS-based extended in-situ Gamma Spectrometry service tool has been developed, based on the so-called SuperISOCS (SISOCS) software. This tool was developed to generate the most complex geometries. The principle of geometry construction is based on the composition of 8 different primitive geometries. The primitive object is able to be cut and to change a part of an object. An object is able to overlap to another one to form a more complex object. These functions refine the modelled geometry compared to the real objects and decrease the measurement systematic error because they allow the mathematical model to represent the real-life geometry more faithfully through reducing the approximations and simplifications that need to be made The algorithm of SISOCS is the same as that of standard ISOCS. A set of calculations was done in comparison with MCNP efficiency calculation and SISOCS results. 80 different models were compared between SISOCS and MCNP, with added 30 cases compared between ISOCS and SISOCS. The average differences were less than 2%, for all energy's efficiency calculations. In this paper we illustrate the benefits that this new tool can provide, in terms of improved accuracy for complex realistic geometries, through simulation of some example scenarios. Furthermore, we demonstrate, through SISOCS modelling of the real object data test, the comparison between SISOCS to ISOCS calculations for the same geometry. This paper describes the added functions that are easily employed using SISOCS. Our results show the potential application and benefit of this technique for real waste assay projects and the way to integrate the tool into the waste assay systems. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

A coupled rate theory-Monte Carlo model of helium bubble evolution in plasma-facing micro-engineered tungsten

A multiscale model of helium bubble evolution in plasma-facing materials is developed. The model links different stages of helium bubble evolution: deposition, nucleation, growth, motion, and coalescence. Helium deposition is simulated with the SRIM Monte Carlo program to give spatial information on helium and displacement damage distributions near the surface. This deposition profile is then introduced into a space-dependent rate theory of bubble nucleation and growth to describe the early stages of the distribution and size of helium bubbles. The coarsening stage of bubble evolution as a result of whole bubble motion, interaction, and coalescence is modeled by a new Object Kinetic Monte Carlo (OKMC) model, for which initial conditions are taken from the mean-field rate theory calculations. The model is compared to experimental data on low-energy helium plasma interaction with micro-engineered tungsten (W), and on high-energy helium ion deposition in flat W samples. Novel features of the multiscale model include: (1) space-dependent rate theory; (2) OKMC model of bubble motion in stress and temperature fields; and (3) application of the model to micro-engineered materials, and comparison with experiments on the same time-scale. At low helium ion energy, it is found that the mechanism of trap mutation is essential in achieving good agreement with experimental measurements. On the other hand, good agreement with experiments at high incident ion energy and temperature showed the importance of bubble coalescence and coarsening as main mechanisms. The results of the model are compared with experiments on flat W surfaces irradiated at high ion energy (30 keV), and with micro-engineered W, where the surface is coated with high-density micro-pillars at low ion energy (around 100 eV). The predicted average bubble radius and density are in qualitative agreement with experimental results.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Online Learning of Effective Turbine Wind Speed in Wind Farms

To develop better wind farm controllers that can meet more complex objectives, methods of modeling the wind turbine wakes at low computational expense are needed. Gaussian process (GP) regression offers a computationally inexpensive framework for learning complex functions from noisy measurements with very few datapoints. In this work, an online learning approach is presented to learn the rotor-averaged wind velocity at downstream wind turbines with GPs, using the available datastream of wind field measurements and wind turbine control set-points. This framework can readily be integrated into model-based controls methods because the model a) is updated online at low computational expense, b) assumes a mathematically favorable Gaussian form, and c) explicitly quantifies the stochastic nature of the wake field so that the trade-off between exploration and exploitation, and the uncertainty in the prediction, can be utilized. We show that a GP-learned model can match true values with errors within 0.5% on average, with as few as 5 training data points.

Gaussian process↗

DOE OSTI2019

Increasing Compositions in NBSR Neutronics Model

Calculations in support of the NIST research reactor (NBSR) use a Monte Carlo neutronics model in conjunction with a burnup capability. The representation of compositions within the fuel plates assumes that with burnup there is a single uniform composition within all plates in each half fuel element. The current model has been validated using operational data and leads to acceptable conservative results for safety analyses. However, the use of large composition zones is inconsistent with the rigor in the rest of the neutronics model. There is also the possibility that the conservatism in maximum fission density may lead to excessive requirements for fuel qualification. A new composition model has been proposed that would break each half fuel element into six composition zones improving the rigor without increasing running time significantly. This approach was tested, and results show that although it is an improvement, it falls short of being the ideal composition model. This report documents the objectives for the new model and the analysis of the resulting calculations.

42 ENGINEERING↗

DOE OSTI2019

Increasing Compositions In NBSR Neutronics Model – Part 2

Calculations in support of the NIST research reactor (NBSR) use a Monte Carlo neutronics model in conjunction with a burnup capability. The representation of compositions within the fuel plates for the current reactor has assumed that with burnup there is a single uniform composition within all plates in each half fuel element. That model has been validated using operational data and leads to acceptable conservative results for safety analyses. However, for the conversion of the reactor to the use of low-enriched uranium (LEU) fuel, there has been an effort to change the modeling for several reasons. The use of large composition zones is inconsistent with the rigor in the rest of the neutronics model. There is also the possibility that the conservatism in maximum fission density may lead to excessive requirements for LEU fuel qualification. A new composition model has been proposed that would break each half fuel element into 15 composition zones improving the rigor while still allowing reasonable running time. This approach was tested, and results show that although it is an improvement over the previous model that had one composition zone (and an interim model with six zones) in each half fuel element, it falls short of being the ideal composition model. This report documents the objectives for the new model and the analysis of the resulting calculations.

42 ENGINEERING↗

DOE OSTI2020

Application of a Null-Space Monte Carlo Flow Model Set to the Composite Analysis Base Case Fate and Transport Modeling

The Plateau to River Groundwater Model (P2R Model) is a groundwater flow and contaminant fate and transport (F&T) simulation model used to support remedial activities conducted by CH2M HILL Plateau Remediation Company at the Hanford Site in Washington State. Figure 1-1 illustrates the P2R Model extents, discretization, and boundary conditions. The P2R Model is utilized in the Composite Analysis (CA) for the Hanford Site as the computational engine for computing F&T predictions as described in CP-60406, Hanford Site Composite Analysis Technical Approach Description: Groundwater. The model simulates contaminants of concern within the saturated zone of the uppermost aquifer beneath the Central Plateau and downgradient to the Columbia River. CP-57037, Model Package Report for the Plateau to River Model Version 8.3, documents the current version of the P2R Model including a description of the conceptual site model, model development and calibration, and limitations to the model application. The overall objective of the saturated zone modeling effort is to provide a basis for making informed remedial action decisions based on descriptions of current and expected future contaminant concentrations in groundwater at decision points within and downgradient of the Central Plateau of the Hanford Site. Specifically, the purpose of this environmental calculation is to describe the application of the hydraulic property fields and recharge parameters documented in ECF-HANFORD-20-0027, Null Space Monte Carlo Evaluation of the Plateau to River Model, to the CA flow and fate and transport simulation results to quantify the uncertainty in the simulated results due to input parameter selection. Use of numerical groundwater models is always accompanied with uncertainty in the results produced by a model because models are approximations of reality. Thus, by definition, models lack the detail to fully represent observed behavior. Use of numerical techniques, such as a NSMC analysis, can help in identifying and quantifying the potential uncertainties associated with a numerical model such as the P2R Model. The result of NSCM analysis is a set of F&T simulations that provide an estimate of the range of possible outcomes that are used to quantify the uncertainty in simulated concentrations produced using the base case simulations. The simulated concentrations from all simulations will support calculation of the uncertainty of the total dose calculated in a separate calculation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1973

Robot computer problem solving system

A robot computer problem solving system which represents a robot exploration vehicle in a simulated Mars environment is described. The model exhibits changes and improvements made on a previously designed robot in a city environment. The Martian environment is modeled in Cartesian coordinates; objects are scattered about a plane; arbitrary restrictions on the robot's vision have been removed; and the robot's path contains arbitrary curves. New environmental features, particularly the visual occlusion of objects by other objects, were added to the model. Two different algorithms were developed for computing occlusion. Movement and vision capabilities of the robot were established in the Mars environment, using LISP/FORTRAN interface for computational efficiency. The graphical display program was redesigned to reflect the change to the Mars-like environment.

Merriam, E. W.↗

NASA NTRS1999

Orbit Determination for Mars Global Surveyor During Mapping

The Mars Global Surveyor (MGS) spacecraft reached a low-altitude circular orbit on February 4, 1999, after the termination of the second phase of aerobraking. The MGS spacecraft carries the Mars Orbiter Laser Altimeter (MOLA) whose primary goal is to derive a global, geodetically referenced 0.2 deg x 0.2 deg topographic grid of Mars with a vertical accuracy of better than 30 meters. During the interim science orbits in the' Hiatus mission phase (October - November 1997), and the Science Phasing Orbits (March - April, 1998, and June - July 1998) 208 passes of altimeter data were collected by the MOLA instrument. On March 1, 1999 the first ten orbits of MOLA altimeter data from the near-circular orbit were successfully returned from MGS by the Deep Space Network (DSN). Data will be collected from MOLA throughout the Mapping phase of the MCS mission, or for at least one Mars year (687 days). Whereas the interim orbits of Hiatus and SPO were highly eccentric, and altimeter data were only collected near periapsis when the spacecraft was below 785 km, the Mapping orbit of MGS is near circular, and altimeter data will be collected continuously at a rate of 10 Hz. The proper analysis of the altimeter data requires that the orbit of the MGS spacecraft be known to an accuracy comparable to that of the quality of the altimeter data. The altimeter has an ultimate precision of 30 cm on mostly flat surfaces, so ideally the orbits of the MGS spacecraft should be known to this level. This is a stringent requirement, and more realistic goals of orbit error for MGS are ten to thirty meters. In this paper we will discuss the force and measurement modelling required to achieve this objective. Issues in force modelling include the proper modelling of the gravity field of Mars, and the modelling of non-conservatives forces, including the development of a 'macro-model', in a similar fashion to TOPEX/POSEIDON and TDRSS. During Cruise and Aerobraking, the high gain antenna (HGA) was stowed on the +X face of the spacecraft. On March 29, 1999 the HGA will be deployed on a meter long boom which will remain Earth-pointing while the instrument panel (including the MOLA instrument) remains pointed at nadir. The tracking data must be corrected for the regular motion of the high gain antenna with respect to the center of mass, and the success of the MGS determination during Mapping will depend on correctly accounting for this offset in the measurement model.

Lemoine, F. G.↗

NASA NTRS2004

Preserving the Pyramid of STI Using Buckets

The product of research projects is information. Through the life cycle of a project, information comes from many sources and takes many forms. Traditionally, this body of information is summarized in a formal publication, typically a journal article. While formal publications enjoy the benefits of peer review and technical editing, they are also often compromises in media format and length. As such, we consider a formal publication to represent an abstract to a larger body of work: a pyramid of scientific and technical information (STI). While this abstract may be sufficient for some applications, an in-depth use or analysis is likely to require the supporting layers from the pyramid. We have developed buckets to preserve this pyramid of STI. Buckets provide an archive- and protocol-independent container construct in which all related information objects can be logically grouped together, archived, and manipulated as a single object. Furthermore, buckets are active archival objects and can communicate with each other, people, or arbitrary network services. Buckets are an implementation of the Smart Object, Dumb Archive (SODA) DL model. In SODA, data objects are more important than the archives that hold them. Much of the functionality traditionally associated with archives is pushed down into the objects, such as enforcing terms and conditions, negotiating display, and content maintenance. In this paper, we discuss the motivation, design, and implication of bucket use in DLs with respect to grey literature.

Nelson, Michael L.↗

NASA NTRS2013

Characterization of the Gaseous Companion k Andromedae B* New Keck and LBTI High-contrast Observations

Context. We previously reported the direct detection of a low mass companion at a projected separation of 55+/-2 astronomical units around the B9 type star kappa Andromedae. The properties of the system (mass ratio, separation) make it a benchmark for the understanding of the formation and evolution of gas giant planets and brown dwarfs on wide-orbits. Aims. We present new angular differential imaging (ADI) images of the system at 2.146 (K(sub s)), 3.776 (L'), 4.052 (NB 4.05) and 4.78 micrometers (M') obtained with Keck/NIRC2 and LBTI/LMIRCam, as well as more accurate near-infrared photometry of the star with the MIMIR instrument. We aim to determine the near-infrared spectral energy distribution (SED) of the companion and use it to characterize the object. Methods. We used analysis methods adapted to ADI to extract the companion flux. We compared the photometry of the object to reference young/old objects and to a set of seven PHOENIX-based atmospheric models of cool objects accounting for the formation of dust. We used evolutionary models to derive mass estimates considering a wide range of plausible initial conditions. Finally, we used dedicated formation models to discuss the possible origin of the companion. Results. We derive a more accurate J = 15.86 +/- 0.21, H = 14.95 +/- 0.13, K(sub s) = 14.32 +/- 0.09 mag for kappa And b. We redetect the companion in all our high contrast observations. We confirm previous contrasts obtained at K(sub s) and L' band. We derive NB 4.05 = 13.0 +/- 0.2 and M' = 13.3 +/- 0.3 mag and estimate Log(base 10)(L/solar luminosity) = −3.76 +/- 0.06. Atmospheric models yield T(sub eff) = 1900(+100/−200) K. They do not set constrains on the surface gravity. "Hot-start" evolutionary models predict masses of 14(+25/−2) Jupiter mass based on the luminosity and temperature estimates, and considering a conservative age range for the system (30(+120/−10) million years). "warm-start" evolutionary tracks constrain the mass to M greater than or equal to 11 Jupiter mass. Conclusions. The mass of kappa Andromedae b mostly falls in the brown-dwarf regime, due to remaining uncertainties in age and mass-luminosity models. According to the formation models, disk instability in a primordial disk could account for the position and a wide range of plausible masses of kappa and b.

spectral energy distribution (SED)↗