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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

FY24 Laboratory Directed Research and Development Annual Report

The Laboratory Directed Research and Development (LDRD) program yields foundational scientific research and development (R&D) essential to growing SRNL’s core competencies, in alignment with SRNL’s Strategic Plan to provide long-term benefits to the Department of Energy (DOE), the National Nuclear Security Administration (NNSA), and other customers and stakeholders. Five strategic goals are outlined in SRNL’s strategic plan: 1) Provide applied science and engineering for EM’s active clean-up sites and LM’s post closure management sites 2) Provide science-based solutions for gaps identified in nonproliferation strategic vision and support the government in activities impacting national security 3) Lead Science, Technology & Engineering as the central technical authority for processing tritium loaded reservoirs and support production of plutonium pits 4) Align science and energy security programs by focusing modern modeling, simulation, and data analytics tools on materials engineering and performance applications 5) Build a workforce for the future

Clark, Sue [Savannah River National Laboratory (SR↗
DOE OSTI2024

New systems in MOOSE

The Multiphysics Object-Oriented Simulation Environment (MOOSE) serves as a common library of classes between applications developed for advanced reactor analysis, fusion device engineering, spent fuel cask analysis, geochemistry studies, among other fields. These applications drive the development of the framework to meet their needs. Systems in MOOSE group capabilities that share a common purpose and generally common code. They can be leveraged by all downstream applications, providing extensive code re-use and shared maintenance. They facilitate the discovery by new users of the classes meeting at least partially their needs, and offer the same opportunities for customization as other systems. The addition of a new system to MOOSE opens new ways of solving or discretizing nonlinear problems, of performing distributed postprocessing, and a plethora of other needs. While new systems can be introduced in downstream applications rather than at the framework level, the framework team monitors common needs across the community and often triggers their addition. Documentation, training material, development needs can be centralized, limiting duplicated work across the community. The last three years have seen a large expansion in the capabilities of MOOSE. The supporting role of the framework in the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program has created numerous feature requests to support neutronics, thermal hydraulics, computational fluid dynamics and thermo-mechanics simulations in the Griffin, SAM, Pronghorn and Bison applications respectively. Similarly, laboratory-directed research and development (LDRD) projects in additive manufacturing, high-Reynolds flow simulations, structure optimization also necessitate an expansion of the framework capabilities. This summary reports on the new systems created in MOOSE, their design, their capabilities and some of the relevant interfaces.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

A note on the S-matrix bootstrap for the 2d O(N) bosonic model

In this work we apply the S-matrix bootstrap maximization program to the 2d bosonic O ( N ) integrable model which has N species of scalar particles of mass m and no bound states. Since in previous studies theories were defined by maximizing the coupling between particles and their bound states, the main problem appears to be to find what other functional can be used to define this model. Instead, we argue that the defining property of this integrable model is that it resides at a vertex of the convex space determined by the unitarity and crossing constraints. Thus, the integrable model can be found by maximizing any linear functional whose gradient points in the general direction of the vertex, namely within a cone determined by the normals to the faces intersecting at the vertex. This is a standard problem in applied mathematics, related to semi-definite programming and solvable by fast available numerical algorithms. The information provided by the numerical solution is enough to reproduce the known analytical solution without using integrability, namely the Yang-Baxter equation. This situation seems quite generic so we expect that other theories without continuous parameters can also be found by maximizing linear functionals in the convex space of allowed S-matrices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

A Comparative Assessment of Economic Model Predictive Control Strategies for Fuel Economy Optimization of Heavy-Duty Trucks

This paper provides a comparative assessment of three control strategies that fuse a global, offline dynamic programming (DP) optimization with online model predictive control (MPC) in an effort to minimize fuel consumption for a heavy-duty truck. The online MPC optimization, which is local in nature, makes refinements to a coarsely (but globally, subject to grid resolution) optimized target velocity profile from the DP optimization. Three candidate economic MPC formulations are evaluated: a time-based formulation that directly penalizes predicted fuel consumption, a simplified time-based formulation that penalizes braking effort in place of fuel consumption, and a distance-based convex formulation that maintains a tradeoff between energy expenditure and tracking of the coarsely optimized velocity based on DP. The performance of each approach is presented for three representative route profiles, using a medium-fidelity proprietary Volvo model of the heavy-duty truck’s longitudinal dynamics. Results demonstrate 4-7% fuel economy improvement across all three formulations, when compared to a baseline strategy. Furthermore, we present a detailed analysis of energy usage by “type” (aerodynamic losses, braking losses, and comparison of brake-specific fuel consumption), under each candidate control approach.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Decomposing Loosely Coupled Mixed-Integer Programs for Optimal Microgrid Design

Microgrids are frequently employed in remote regions, in part because access to a larger electric grid is impossible, difficult, or compromises reliability and independence. Although small microgrids often employ spot generation, in which a diesel generator is attached directly to a load, microgrids that combine these individual loads and augment generators with photovoltaic cells and batteries as a distributed energy system are emerging as a safer, less costly alternative. In this work, we present a model that seeks the minimum-cost microgrid design and ideal dispatched power to support a small remote site for one year with hourly fidelity under a detailed battery model; this mixed-integer nonlinear program (MINLP) is intractable with commercial solvers but loosely coupled with respect to time. A mixed-integer linear program (MIP) approximates the model, and a partitioning scheme linearizes the bilinear terms. We introduce a novel policy for loosely coupled MIPs in which the system reverts to equivalent conditions at regular time intervals; this separates the problem into subproblems that we solve in parallel. We obtain solutions within 5% of optimality in at most six minutes across 14 MIP instances from the literature and solutions within 5% of optimality to the MINLP instances within 20 minutes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Projecting 21st century snowpack trends in western USA mountains using variable-resolution CESM

Climate change will affect western USA water supplies by shifting precipitation from snow to rain and driving snowmelt earlier in the season. Yet, changes at the regional-to-mountain scale is still a major topic of interest. This study addresses the impacts of climate change on mountain snowpack by assessing historical and projected variable-resolution (VR) climate simulations in the community earth system model (VR-CESM) forced by prescribed sea-surface temperatures along with widely used regional downscaling techniques, the coupled model intercomparison projects phase 5 bias corrected and statistically downscaled (CMIP5-BCSD) and the North American regional climate change assessment program (NARCCAP). The multi-model RCP8.5 scenario analysis of winter season SWE for western USA mountains indicates by 2040-2065 mean SWE could decrease ⁻19% (NARCCAP) to ⁻38% (VR-CESM), with an ensemble median change of ⁻27%. Contrary to CMIP5-BCSD and NARCCAP, VR-CESM highlights a more pessimistic outcome for western USA mountain snowpack in latter-parts of the 21st century. This is related to temperature changes altering the snow-albedo feedback, snowpack storage, and precipitation phase, but may indicate that VR-CESM resolves more physically consistent elevational effects lacking in statistically downscaled datasets and teleconnections that are not captured in limited area models. Overall, VR-CESM projects by 2075–2100 that average western USA mountain snowfall decreases by ⁻30%, snow cover by ⁻44%, SWE by ⁻69%, and average surface temperature increase of +5.0 °C. This places pressure on western USA states to preemptively invest in climate adaptation measures such as alternative water storage, water use efficiency, and reassess reservoir storage operations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Improved Modeling of Canted–Cosine–Theta Magnets

The Canted–Cosine–Theta is a design option for the next generation of high field superconducting dipoles being pursued within the US Magnet Development Program. This paper presents new modeling techniques developed for design and analysis of CCT magnets. For mechanical modeling in ANSYS, three approaches with increasing accuracy are compared: 2-D symmetry models; 3-D periodic symmetry models; and full 3-D models. Methods for the static and transient magnetic simulation using ANSYS are presented with a focus on circuit-coupled models for predicting magnet behavior following quench. Simulation results are compared to data from CCT magnet tests at Berkeley.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Thermal-Mechanical Elastic-Plastic and Ductile Failure Model Calibrations for 304L Stainless Steel Alloy

Numerical simulations of metallic structures undergoing rapid loading into the plastic range require material models that accurately represent the response. In general, the material response can be seen as having four interrelated parts: the baseline response under slow loading, the effect of strain rate, the conversion of plastic work into heat and the effect of temperature. In essence, the material behaves in a thermal-mechanical manner if the loading is fast enough so when heat is generated by plastic deformation it raises the temperature and therefore influences the mechanical response. In these cases, appropriate models that can capture the aspects listed above are necessary. The material of interest here is 304L stainless steel, and the objective of this work is to calibrate thermal-mechanical models: one for the constitutive behavior and another for failure. The work was accomplished by first designing and conducting a material test program to provide data for the calibration of the models. The test program included uniaxial tension tests conducted at room temperature, 150 and 300 C and at strain rates between 10 –4 and 10 3 1/s. It also included notched tension and shear-dominated compression hat tests specifically designed to calibrate the failure model. All test specimens were extracted from a single piece of plate to maintain consistency. The constitutive model adopted was a modular $J_2$ plasticity model with isotropic hardening that included rate and temperature dependence. A criterion for failure initiation based on a critical value of equivalent plastic strain fitted the failure data appropriately and was adopted. Possible ranges of the values of the parameters of the models were determined partially on historical data from calibrations of the same alloy from other lots and are given here. The calibration of the parameters of the models were based on finite element simulations of the various material tests using relatively ne meshes and hexahedral elements. When using the model in structural finite element calculations, however, element formulations and sizes different from those in the calibration are likely to be used. A brief investigation demonstrated that the failure initiation predictions can be particularly sensitive to the element selection and provided an initial guide to compensate for the effect of element size in a specific example.

36 MATERIALS SCIENCE↗
DOE OSTI2026

The Scaling and Units of the Elastic Response Term for Rayleigh Waves that is Output by Computer Programs in Seismology (CPS)

We report on the scaling and units of the Rayleigh wave elastic response function A R (ω) that is output from the widely used Computer Programs in Seismology (CPS) to aid in the modeling of ground motion sourced by atmospheric explosions. The program uses mixed units (km, second, km/s, gm/cc) to keep A R (ω) near 10 0 and prevent any numerical underflow or overflow. We compare two models for the response of an elastic half space to the output from CPS. Our application inputs the recommended, mixed unit geological models to determine how researchers must scale this output to obtain physical units for A R (ω) that represents the amplitude scaling for the minimum group velocity (Airy phase) contribution to Rayleigh waves. We determine that a CPS user must scale the output for A R (ω) by 10 -12 (m/km) 2 (g/cc/m 3 /kg) to obtain MKS (meter, kg, second) units and then must multiply this result by the vertical component eigenfunction squared, that is evaluated at the free surface.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2017

The Cloud Feedback Model Intercomparison Project (CFMIP) Diagnostic Codes Catalogue – metrics, diagnostics and methodologies to evaluate, understand and improve the representation of clouds and cloud feedbacks in climate models

The CFMIP Diagnostic Codes Catalogue assembles cloud metrics, diagnostics and methodologies, together with programs to diagnose them from general circulation model (GCM) outputs written by various members of the CFMIP community. This aims to facilitate use of the diagnostics by the wider community studying climate and climate change. Here, this paper describes the diagnostics and metrics which are currently in the catalogue, together with examples of their application to model evaluation studies and a summary of some of the insights these diagnostics have provided into the main shortcomings in current GCMs. Analysis of outputs from CFMIP and CMIP6 experiments will also be facilitated by the sharing of diagnostic codes via this catalogue. Any code which implements diagnostics relevant to analysing clouds – including cloud–circulation interactions and the contribution of clouds to estimates of climate sensitivity in models – and which is documented in peer-reviewed studies, can be included in the catalogue. We very much welcome additional contributions to further support community analysis of CMIP6 outputs.

58 GEOSCIENCES↗
DOE OSTI2020

Improving the accessibility and transferability of machine learning algorithms for identification of animals in camera trap images: MLWIC2

Motion-activated wildlife cameras (or “camera traps”) are frequently used to remotely and noninvasively observe animals. The vast number of images collected from camera trap projects has prompted some biologists to employ machine learning algorithms to automatically recognize species in these images, or at least filter-out images that do not contain animals. These approaches are often limited by model transferability, as a model trained to recognize species from one location might not work as well for the same species in different locations. Furthermore, these methods often require advanced computational skills, making them inaccessible to many biologists. We used 3 million camera trap images from 18 studies in 10 states across the United States of America to train two deep neural networks, one that recognizes 58 species, the “species model,” and one that determines if an image is empty or if it contains an animal, the “empty-animal model.” Our species model and empty-animal model had accuracies of 96.8% and 97.3%, respectively. Furthermore, the models performed well on some out-of-sample datasets, as the species model had 91% accuracy on species from Canada (accuracy range 36%–91% across all out-of-sample datasets) and the empty-animal model achieved an accuracy of 91%–94% on out-of-sample datasets from different continents. Our software addresses some of the limitations of using machine learning to classify images from camera traps. By including many species from several locations, our species model is potentially applicable to many camera trap studies in North America. We also found that our empty-animal model can facilitate removal of images without animals globally. We provide the trained models in an R package (MLWIC2: Machine Learning for Wildlife Image Classification in R), which contains Shiny Applications that allow scientists with minimal programming experience to use trained models and train new models in six neural network architectures with varying depths.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Computational Fluid Dynamic Modeling of Dry Cask Simulator with Crosswind

The purpose of this study is to create a STAR-CCM+ model of a Belowground Vertical Dry Cask Simulator (BVDCS) at Sandia National Laboratories (SNL) and validate the model with SNL’s experimental results. The BVDCS consists of a single boiling water reactor assembly fitted with electric heaters encompassed by a containment vessel and shell to represent a belowground spent nuclear fuel (SNF) dry storage system. Blowers are located near the inlet and outlet of the BVDCS to simulate crosswind conditions. In addition to the experimental results, the STAR-CCM+ model developed for this study is compared with a previous computational fluid dynamics (CFD) model in a different software program, which is used as a software-to-software benchmark. The experimental results provide a dataset to compare the STAR-CCM+ model results for a variety of different conditions. The main objective is to validate and improve STAR-CCM+ CFD models for spent nuclear fuel storage systems with explicitly modeled external environments and “wind driven” crossflows. These CFD models aide in the study of external particle deposition in spent nuclear fuel storage systems, which is important to predicting the significance of chloride induced stress corrosion cracking (CISCC). In addition to experimental comparison, a sensitivity analysis study is performed using the STAR-CCM+ model. The sensitivity analysis provides a quantitative assessment of the sensitivity of various parameters. This helps provide information on various parameters that are of particular importance to constructing a model representative of real life systems. The STAR-CCM+ model compared well to the experimental results showing similar responses to changes in cross wind flow, and a number of parameters are identified for model improvement.

Jensen, Ben J.↗
DOE OSTI2017

Environmental impact of electricity relocation: A quasi-natural experiment from interregional electricity transmission

Pollutants such as sulfur would concentrate in the source regions and thus the localized impacts are more obvious. Local balance of electricity by transporting coal has resulted in dense concentration of coal-fired power plants in load centers and caused severe environmental problems. Electricity relocation through interregional transmission is another choice for energy transportation to achieve electricity balance across regions and pollution mitigation. Using interregional electricity transmission (IRET) lines in China as a quasi-natural experiment, this paper assesses the environmental impact of electricity relocation. In the assessment, the grid organization of “province as executor” in China is considered because it affects the sphere of IRET's influence on pollution mitigation. Here we show the environmental benefits of electricity relocation. We find that, electricity relocation through interregional transmission leads to the growth rate of sulfur dioxide (SO{sub 2}) emission decreasing 7% in landing areas and Sichuan province benefits most from electricity relocation. It is interesting that there is no significant increase of SO{sub 2} emission growth rate in sending areas compared to counterfactuals if there had no IRET due to more integration of clean energy and improved emission efficiency in sending areas. Placebo study and robustness check show that the results are quite convincing. Therefore, IRET provides an appealing choice for China's environmental control in eastern region, and it is not necessarily at the cost of pollution in western region. The methodology can be applied to assess the environmental impacts of other program or policy elsewhere. - Highlights: •Proposing a model to assess the environmental impact of electricity relocation •Interregional electricity transmission in China provides a quasi-natural experiment. •Grid organization of “province as executor” is considered that affects sphere of IRET. •Providing insight about environmental necessity of IRET using China as a case study •The model can be used to assess environmental impacts of other program or policy.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2017

IN2 Profile: Reducing Energy Prices for Commercial Buildings with NETenergy’s Black ICE Technology

To cool a commercial building properly and cost-effectively, the owners of NETenergy have created a thermal battery that works much like an electrical battery except instead of storing energy electrically, it stores energy thermally. Through the Wells Fargo Innovation Incubator (IN²) program, NETenergy will be able to advance modeling of their system and increase product development. The IN² program launched in October 2014 and is part of Wells Fargo’s 2020 Environmental Commitment to provide $100 million to environmentally-focused nonprofits and universities. The goal is to create an ecosystem that fosters and accelerates the commercialization of promising commercial buildings technologies that can provide scalable solutions to reduce the energy impact of buildings. According to the Department of Energy, nearly 40 percent of energy consumption in the U.S. today comes from buildings at an estimated cost of $413 billion.

25 ENERGY STORAGE↗
DOE OSTI2017

Optimal design and dispatch of a system of diesel generators, photovoltaics and batteries for remote locations

Renewable energy technologies, specifically, solar photovoltaic cells, combined with battery storage and diesel generators, form a hybrid system capable of independently powering remote locations, i.e., those isolated from larger grids. If sized correctly, hybrid systems reduce fuel consumption compared to diesel generator-only alternatives. We present an optimization model for establishing a hybrid power design and dispatch strategy for remote locations, such as a military forward operating base, that models the acquisition of different power technologies as integer variables and their operation using nonlinear expressions. Our cost-minimizing, nonconvex, mixed-integer, nonlinear program contains a detailed battery model. Due to its complexities, we present linearizations, which include exact and convex under-estimation techniques, and a heuristic, which determines an initial feasible solution to serve as a “warm start” for the solver. We determine, in a few hours at most, solutions within 5% of optimality for a candidate set of technologies; these solutions closely resemble those from the nonlinear model. Lastly, our instances contain real data spanning a yearly horizon at hour fidelity and demonstrate that a hybrid system could reduce fuel consumption by as much as 50% compared to a generator-only solution.

14 SOLAR ENERGY↗
DOE OSTI2018

Automated Approach for Construction of Long-Term, Data-Intensive Watershed Models

Watershed models such as the Hydrological Simulation Program in FORTRAN (HSPF) are frequently used to analyze large-scale water quantity and water quality issues. The construction of HSPF models is a difficult and time-consuming process, because it requires compilation of extensive quantities of data into formatted files followed by a simultaneous fitting of many uncertain parameters. Because of these complications, studies are often limited to calibration periods of only a few years even when analyzing long time-scale issues such as climate and land-use changes that are difficult or impossible to reproduce. High-level, open source programming languages provide an environment for automating the extraction and processing of various sources of data in addition to the calibration process required by HSPF. Recently developed software can be used to build HSPF input files, run simulations, and postprocess simulation results using the Python programming language. The combination of tools in Python, public data sets on the Internet, and software extensions enables rapid development of long-term, reproducible, and sophisticated models for new hydrologic insight. Herein, the utility of these tools is illustrated by developing an automated 30-year HSPF model with a Nash-Sutcliffe efficiency of 0.88 for monthly flows and 0.75 for daily flows in a simulation time of approximately 3h. The integration of HSPF with a high-level programming language creates opportunities to more rigorously explore model assumptions, calibration methods, and alternative data sets.

Lampert, Dave J↗
DOE OSTI2016

Mesh Adaptive Search Optimization in SERPENT2 Stereolithography Geometry

SERPENT2 Monte Carlo program has the capability to model reactor cores by stereolithography (STL) geometry. In this geometry, volumes are defined by the union of triangulated surfaces. Using the STL geometry offers unique benefits, including: 1) the model can be printed on 3D printers; 2) the possibility to use directly geometrical models from Computer-Aided Design (CAD); 3) the capability to perform multi-physics simulations coupling neutronics, thermal-hydraulics, and material science computations. In this work the STL geometry has been created by the CUBIT software, which is designed for finite elements mesh generation. The materials in the STL geometry have been assigned by a simple C program using the colors of the volumes in the CUBIT model. The goal of this work is to minimize the SERPENT2 computing time using mesh adaptive search algorithms. The basic idea is to split the geometry of the core into two zones: one zone containing the fuel elements (including the moderator and the coolant) and the other containing the reflector (and the target zone of the core, if it is driven by an external neutron source). By performing this splitting, two separate meshes are used, which results in a considerable computing time saving. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

Scheduling Multilevel Deadline-Constrained Scientific Workflows on Clouds Based on Cost Optimization

This paper presents a cost optimization model for scheduling scientific workflows on IaaS clouds such as Amazon EC2 or RackSpace. We assume multiple IaaS clouds with heterogeneous virtual machine instances, with limited number of instances per cloud and hourly billing. Input and output data are stored on a cloud object store such as Amazon S3. Applications are scientific workflows modeled as DAGs as in the Pegasus Workflow Management System. We assume that tasks in the workflows are grouped into levels of identical tasks. Our model is specified using mathematical programming languages (AMPL and CMPL) and allows us to minimize the cost of workflow execution under deadline constraints. We present results obtained using our model and the benchmark workflows representing real scientific applications in a variety of domains. The data used for evaluation come from the synthetic workflows and from general purpose cloud benchmarks, as well as from the data measured in our own experiments with Montage, an astronomical application, executed on Amazon EC2 cloud. We indicate how this model can be used for scenarios that require resource planning for scientific workflows and their ensembles.

Malawski, Maciej↗