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At least 379 records · Page 21

A Stochastic Charging Station Deployment Model for Electrified Taxi Fleets in Coupled Urban Transportation and Power Distribution Networks

Metropolitansworldwide are increasingly adopting electric taxis (ET) to address concerns about transportation-related emissions. However, the widespread deployment of electric taxis presents challenges in terms of increased electricity demand and changing demand profiles. This transition impacts both the urban transportation network (TN) and the electricity power distribution network (PDN), highlighting the interdependence between these two systems. Here, in this paper, we propose a two-stage stochastic programming planning model that aims to optimize both the TN and PDN, enabling efficient deployment of charging stations and grid upgrades. Our model seeks to strike a balance between meeting ET drivers' charging preferences, minimizing the costs associated with infrastructure deployment and grid expansion, and harmonizing the coordination between the TN and PDN. Additionally, we explore the potential benefits of utilizing an autonomous ET fleet to enhance overall system performance.

33 ADVANCED PROPULSION SYSTEMS↗

SRS Composite Analysis Monitoring Plan (FY2019 Model Validation)

Using a projected end-state date of 2065 (SRNS 2015b), the Savannah River Site (SRS) Composite Analysis (CA) modeling for each facility and waste site began on the inventory year assigned to it so that source depletion and radionuclide transport out of the system could be appropriately captured. Some SRS waste sites that have already achieved their end states (i.e. end-state inventories and end-state configuration) are currently contributing to the potential off-site public dose through source release, groundwater transport, discharge to on-site surface streams, and stream transport to the CA point of assessments (POAs). The inventory year assigned to these waste sites is 2002 or before. This means that SRS CA results from 2002 and beyond are a reasonable representation for these waste sites that have already achieved their end states and are currently contributing to the potential off-site public dose. The SRS Annual Environmental Report (AER) monitoring can differentiate and separate liquid pathway data allowing the data representing only waste sites at their end state to be produced. Because the SRS CA has projected reasonable end-state impacts from 2002 and beyond, and the AER monitoring can differentiate and separate operating and end-state contributions to annual liquid pathway release, an opportunity exists to use the AER monitoring data to validate the SRS CA model. The CA model validation program uses a graded and systematic approach for taking corrective action, starting with an SRS established administrative dose limit of 15 mrem/yr, below which no action is required. Based on the location of the 2010 SRS CA POAs, the only potential exposure pathway for the public is through surface water. The completion of the FY2019 CA model validation indicates that the SRS CA projected dose, while generally conservative, provides a reasonable representation of the maximum annual doses. These doses are well below the administrative limit; therefore, no additional action is required.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

"Source Term Modeling for Advanced Gas Micro-Reactors"

Maintaining the safety of the public, environment, and operating personnel is the most important factor in designing, operating, maintaining, and decommissioning nuclear reactors. In recent years, there has been a growing interest in the development of micro-reactors employing TRi-structural ISOtropic (TRISO)-coated particle fuel. In gas reactors, TRISO fuel plays an important role in the safety case for high temperature reactors because of the fission product retention properties of the fuel. This ability enables the use of a functional containment strategy for the reactor where multiple barriers are used to prevent fission product release to the environment. Part of the safety analysis of these advanced reactors is the assessment of radionuclide releases under normal and accident conditions through the multiple credited safety barriers. Using conservative assumptions, a mechanistic analysis can be performed to quantify these releases that combines the probabilistic assessment of failure with analytic solutions to radionuclide transport equations. Source term modeling for TRISO fuel has been performed for previous reactor designs; however, these models are outdated, in many cases proprietary, and need updates to be applied to the current state of TRISO fuel technology and alternative gas reactor core configurations [1]. Currently, the only publicly available source term assessment for gas reactors is an expert-based Monte Carlo simulation based on the effectiveness of the fuel kernel, coating layers, and graphite block in a modular high temperature gas reactor [2]. Thus, there is a need to develop a simple, versatile, and mechanistic model of fission product release and transport in gas reactor cores that could be applied to a variety of reactors through user inputs and reactor-specific radionuclide inventories. The release is calculated by the diffusion of the key safety important fission products through the kernel, silicon carbide (SiC), graphite for both intact and defective TRISO particles based on fuel and graphite temperatures in the reactor under normal operation. These releases from the fuel enter the coolant where they can plate-out on cooler surfaces. A clean-up model is included for designs with a coolant purification system to remove fission gases. This initial distribution of fission products in the reactor serves as an initial condition for potential releases under postulated accident conditions. The model then can calculate the fission product release for any transient temperature profile and fission product releases can then be used to assess radiological dose to the workers and the public using conventional dose tools. Data on the diffusion of fission products is based on historic German TRISO experiments and the more current Department of Energy (DOE) Advanced Gas Reactor (AGR) TRISO fuel development program. The model is coded in python with inputs and outputs in excel spreadsheets, as well as python plotting utilities to aid in the interpretation of the results. References: [1] INL, NGNP Mechanistic Source Term White Paper, INL-10-17997, July 2010. [2] David A. Petti, Richard R. Hobbins, Peter Lowry, Hans Gougar, “Representative Source Terms and The Influence of Reactor Attributes on Functional Containment in Modular High Temperature Gas-cooled Reactors,” Nuclear Technology, Vol. 184, p. 181-197, Nov. 2013.

07 ISOTOPE AND RADIATION SOURCES↗

Developing a robust strength model using physically-informed genetic programming

The strength of materials is influenced by a range of external conditions, such as temperature and deformation rate. Consequently, materials that demonstrate substantial variations in their mechanical behavior due to fluctuations in temperature and strain rate require complex strength models to accurately predict material performance in real-world applications. To predict such complex behavior, a robust and flexible strength model is necessary. In this work, we utilize genetic programming-based symbolic regression (GPSR) to develop data-driven strength models that accurately represent the measured stress–strain responses of tin across a wide range of strain, strain rate and temperature regimes. The GPSR models are constrained by physically-informed conditions, which leads to significant improvement in extrapolation. The best model is integrated into a multi-physics code to perform Taylor impact simulations, validating the model’s accuracy and robustness. In conclusion, the model predictions showed excellent agreement with experimental results, particularly when compared to predictions using traditional strength models.

Genetic programming↗

Approximating Trajectory Constraints With Machine Learning – Microgrid Islanding With Frequency Constraints

Here, we introduce deep earning aided constraint encoding to tackle the frequency-constraint microgrid scheduling problem. The nonlinear function between system operating condition and frequency nadir is approximated by using a neural network, which admits an exact mixed-integer formulation (MIP). This formulation is then integrated with the scheduling problem to encode the frequency constraint. With the stronger representation power of the neural network, the resulting commands can ensure adequate frequency response in a realistic setting in addition to islanding success. The proposed method is validated on a modified 33-node system. Successful islanding with a secure response is simulated under the scheduled commands using a detailed three-phase model in Simulink. The advantages of our model are particularly remarkable when the inertia emulation functions from wind turbine generators are considered.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Co-Simulation Model for Optimal Wind-Hydro Coordination Using Wind Farm Control Dynamics

The growing share of Variable Renewable Energy sources (VRES) in power systems presents challenges for regula- tors, grid operators and energy producers. The VRES’ operation has limited flexibility in their operations, as they are highly dependent on ambient environments. To address these challenges, decision-makers must consider multiple objectives, among these are revenue, power system services and mechanical load on wind turbines. Coordinated operation of power plants and different wind farm control strategies are examples of measures that can benefit these objectives. This study proposes a Multi-Objective Linear Programming (MOLP) model to simulate the optimum operation of wind and hydropower plants that share limited transmission capacity. Further, wind farm control dynamics are included to obtain realistic output power and accumulated damage. From this, a case study based on a relevant location in Norway is presented to analyze the improved effect of wind- hydro coordination and wind farm control in achieving the objectives of accumulated wind turbine damage and total revenue of the hybrid power system. In addition, the study considers the potential advantages of adding a variable-speed pump to the hydropower plant. The results demonstrate that by considering multiple objectives in the optimization, one may achieve better overall performance of the objectives. By utilizing the flexibility of hydro storage, the decision maker may adjust to obtain the most desired outcome. Moreover, the added flexibility of utilizing a pump for hydro storage shows great improvements for the combined revenue of the power plants and reduced curtailment of the wind farm. However, less impact is observed from using a variable speed pump compared to a fixed speed pump.

13 HYDRO ENERGY↗

Optimizing design and dispatch of a renewable energy system

Renewable energy technologies are becoming increasingly important due to their cost-competitiveness, and because of enhanced climate concerns. We demonstrate the capabilities of an integer-programming optimization model that minimizes capital (investment) and operational costs, and utility charges, while adhering to system sizing constraints, demand requirements, and interoperability characteristics of the systems chosen. Furthermore, the model recommends an optimally sized mix of renewable energy, conventional generation, and energy storage technologies, while simultaneously optimizing the corresponding dispatch strategy. Our case studies explore several venues, i.e., a small campus and a local hospital, with complex utility rate tariffs, multi-technology integration opportunities, and incentives for renewable power production. Using an optimization model, versus applying rules of thumb, can produce millions of dollars in savings over a 25-year time horizon and result in thousands of kilowatts of installed renewable energy.

25 ENERGY STORAGE↗

Bridging Place-Based Astrobiology Education with Genomics, Including Descriptions of Three Novel Bacterial Species Isolated from Mars Analog Sites of Cultural Relevance

Democratizing genomic data science, including bioinformatics, can diversify the STEM workforce and may, in turn, bring new perspectives into the space sciences. In this respect, the development of education and research programs that bridge genome science with “place” and world-views specific to a given region are valuable for Indigenous students and educators. Through a multi-institutional collaboration, we developed an ongoing education program and model that includes Illumina and Oxford Nanopore sequencing, free bioinformatic platforms, and teacher training workshops to address our research and education goals through a place-based science education lens. High school students and researchers cultivated, sequenced, assembled, and annotated the genomes of 13 bacteria from Mars analog sites with cultural relevance, 10 of which were novel species. Students, teachers, and community members assisted with the discovery of new, potentially chemolithotrophic bacteria relevant to astrobiology. This joint education-research program also led to the discovery of species from Mars analog sites capable of producing N-acyl homoserine lactones, which are quorum-sensing molecules used in bacterial communication. Whole genome sequencing was completed in high school classrooms, and connected students to funded space research, increased research output, and provided culturally relevant, place-based science education, with participants naming three novel species described here. Students at St. Andrew's School (Honolulu, Hawai‘i) proposed the name Bradyrhizobium prioritasuperba for the type strain, BL16A T , of the new species (DSM 112479 T = NCTC 14602 T ). The nonprofit organization Kauluakalana proposed the name Brenneria ulupoensis for the type strain, K61 T , of the new species (DSM 116657 T = LMG = 33184 T ), and Hawai‘i Baptist Academy students proposed the name Paraflavitalea speifideiaquila for the type strain, BL16E T , of the new species (DSM 112478 T = NCTC 14603 T ).

59 BASIC BIOLOGICAL SCIENCES↗

A parallel hub-and-spoke system for large-scale scenario-based optimization under uncertainty

Practical solution of stochastic programming problems generally requires the use of parallel computing resources. Here, we describe the open source package mpi-sppy, in which efficient and scalable parallelization is a central feature. We report computational experiments that demonstrate the ability to solve very large stochastic programming problems - including mixed-integer variants - in minutes of wall clock time, efficiently leveraging significant parallel computing resources. We report results for the largest publicly available instances of stochastic mixed-integer unit commitment problems, solving to provably tight optimality gaps. In addition, we introduce a novel software architecture that facilitates combinations of methods for accelerating convergence that can be combined in plug-and-play manner. Finally, the mpi-sppy package is written in Python, leverages the widely used Pyomo (http://www.pyomo.org) library for modeling mathematical programs, builds on existing MPI implementations to ensure efficiency and scalability, and is available via http://github.com/Pyomo/mpi-sppy.

97 MATHEMATICS AND COMPUTING↗

Design of Multi-Stage Solvent Extraction Process for Separation of Rare Earth Elements

Flowsheet design and stage determination for the separation of rare earth elements (REEs) using solvent extraction (SX) is a challenging task because of the chemical similarity of the REEs. Low separation factors between the elements and complex equilibrium chemistry provide unique challenges to designing an efficient flowsheet for the separation of elements. The multi-stage nature of the SX process adds further complexity, making the assessment of products for a proposed design and stage combination difficult. Therefore, to develop a SX flowsheet, it is essential to quantify the performance for various design and separation conditions. This paper attempts to address the challenge by utilizing an equilibrium and process modeling approach. Results from a bench-scale study performed on a 10 g/L rare earth salt mixture were used in studying the extraction/stripping behavior and developing equilibrium models. DEHPA with TBP as a phase modifier was used as an extractant, while hydrochloric acid was utilized as a stripping agent. The results obtained were used in developing extraction/stripping models, which were integrated into a process framework of a SX train in a Matlab/Simulink environment. The models were programmed as a function block routine and used for developing a flowsheet, which was simulated for differing separation and design conditions. To identify optimum stage combinations, a particle swarm optimization (PSO) routine was developed and implemented for each SX train. Recovery and purity of elements of interest were used as objective function criteria. The stage combination leading to the minimization of the objective function was used to identify the optimum stage combination for a series of SX trains to attempt a balance of purity and recovery. The models and optimization method were implemented to separate a feed mixture containing REEs, which indicated that 99.52 and 85.41 percent purity is achievable for Yttrium and Lanthanum separation using 8-12-3 and 10-3-5 stage combination for loading, scrubbing, and striping. The model also indicated difficult separability between neodymium, praseodymium, and cerium.

Srivastava, Vaibhav (ORCID:0000000212645987)↗

Nek5000 developments in support of industry and the NRC

This year, the Nuclear Energy Advanced Modeling Simulation program (NEAMS) thermal-hydraulics verification and validation (V&V) work has focused in three areas of Nek5000 V&V-driven development. First, in a close collaborative effort with the U. S. Nuclear Regulatory Commission (NRC) staff, we have continued V&V efforts for the HYMERES-2 project using the OECD/NEA sponsored testing in the PSI PANDA facility. This year’s focus of ANL-NRC collaboration involves Nek5000 setups and validation for a range of problems relevant to and including the HYMERES-2 benchmark from PSI. The primary outcome of this year efforts is a more efficient geometry and inlet modeling simplification after a careful sensitivity study of the inlet profiles and pipe geometries. The resulting modeling choice of a short recycling/fully-developed turbulent inlet is within the experimental uncertainty estimate. This finding simplifies the next step of the cross-V&V HYMERES-2 project. In addition, the ANL team continue to provide assistance to the NRC staff in the form of Nek5000 application support in general and on the use of the HPC platforms of ALCF and INL in particular. This supports the NRC’s assessment of Nek5000 for use with the NRC Blue CRAB code suite. Second, we have implemented and tested more robust model of URANS, namely the k – τ model, a variant of the k-ω model, along with other improvements to RANS Nek5000 modeling in general. Because of its demonstrated robustness and stability, the k – τ model is the only RANS model that has been implemented in the new GPU version of the Nek5000 code, nekRS. Lastly, we report the initial implementation of Jacobian-free Newton Krylov approach to the direct Newton method for steady fluid solvers aimed at acceleration of RANS modeling and at IC improvement for LES campaigns. Also leveraging the Exascale Computing Project (ECP) ANL/CEED & SMR team’s software development effort to support NEAMS problems at large scale of the advanced computing architectures, NekRS, a GPU variant of Nek5000, built on top of kernels from libParanumal using OCCA for portability, has been successfully run on the full system of Summit (4608 nodes, 27648 GPUs).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Self-diagnosis of model suitability for continuous measurements of stream-dissolved organic carbon derived from in situ UV–visible spectroscopy

Application of high-frequency monitoring of dissolved organic carbon (DOC) is difficult in instances where training datasets are challenging to develop (e.g., remote locations) and the relationship between optical features and DOC concentration changes due to environmental or landscape shifts (e.g., climate or land-use change). We developed and compared three partial least squares (PLS) models using in situ water level measurements, conductivity, and UV–Vis spectral attenuation to predict DOC. Two site-specific models were developed using data from a hillslope-dominated forest or a low-relief wetland-pond-dominated stream catchment. The third model, using data from both sites, exhibited the best performance (DOC range = 4–15.5 mg C L −1 , mean = 8.38 mg C L −1 , training RMSE = 0.34 mg C L −1 , internal validation RMSE = 0.50 mg C L −1 , external validation RMSE = 2.43 mg C L −1 ). We further demonstrate using PLS model statistics to monitor performance and elucidate when and how models should be updated. These statistics, Hotelling's T 2 and squared prediction errors, are useful consistency checks for the predictions made and detect underlying inconsistencies that, if undetected, can reduce the robustness of DOC prediction. For example, via the T 2 statistic, we identified the summer–autumn transition as a period when DOC composition differed from what was represented in the training dataset. We also determined that elevated SUVA 254 values contributed to the overall bias observed in predictions made during the subsequent year as part of the external validation. This enabled the application of a bias correction that reduced the RMSE from 2.43 to 0.89 mg C L −1 . The method presented here could be applied to future monitoring programs enabling model updates to monitor DOC fluxes accurately from optical datasets (e.g., attenuance or fluorescence) in the face of developing datasets in remote locations or environmental change. In conclusion, implementation of this approach may also identify possible regime shifts or landscape and hydrologic change associated with climate and other environmental changes relevant to terrestrial to aquatic fluxes.

UV-VIS spectroscopy↗

Approach to Quality Assurance for Complex Environmental Modeling - 20407

A strong Quality Assurance (QA) program for complex environmental modeling is essential for regulatory and public acceptance and trust, but it does not have to be onerous. Neptune and Company, Inc. (Neptune) has developed a strong QA program that improves transparency, traceability, reproducibility, and therefore, defensibility and trust. Neptune's QA program has evolved over the past 27 years, transitioning from an ad hoc QA program, to a program that is currently Nuclear Quality Assurance-1 (NQA-1) compliant, and will soon be NQA-1/DOE approved for DOE EM modeling work. In addition, Neptune is a qualified laboratory assessor and qualified auditor for reference materials, a proficiency testing provider, and fully complies with the Environmental Protection Agency (EPA) QA program. Neptune's President and CEO, Kelly Black, was recently named the Chairperson of the International Organization for Standardization (ISO) Technical Committee 69, Application of Statistical Methods. A strong QA program has been developed for Neptune's radiological performance assessment (PA) program. Although pieces of their QA program are currently in development, their current program includes document control using Subversion, issue tracking and work flow tracking using JIRA, and transparency and traceability via a system of 'calc sheets' for documentation of all data analysis and modeling combined with 'check print' documentation of QA checking, and rigorous model testing and configuration control. All work is reviewed by an independent subject matter expert who is not associated with the collection and assembly of information, for an internal peer review. The program is enforced with a handful of Standard Operation Procedures (SOPs), Work Instructions, QA Project Plans (QAPPs), and Quality Management Plans (QMPs) that are updated frequently, with required annual training and acknowledgment. In addition, effective communication of modeling approaches and results to clients and stakeholders are integral to their QA program. Many of their models are built using the GoldSim modeling platform, for which their models are well-known for their level of transparency, documentation, and QA traceability. This level of QA is also applied to their process-level models. Neptune has taken some lessons learned from the extremely rigorous QA program required for the Yucca Mountain Project (YMP), and imposed the YMP requirements of complete traceability, transparency, and reproducibility, but avoided the inflexibility of a QA program that likely contributed to the suspect e-mails in 2005 that resulted in loss of trust in the YMP, and in nuclear waste disposal (and nuclear power) in general. There are far too many examples of loss of public trust due to poor QA that could have been easily avoided with a simple and straight-forward QA program combined with stakeholder engagement. The purpose of this paper is to share features of Neptune's Radiological Performance Assessment program QA program, and some of their QA related lessons learned over the past 27 years of QA for complex environmental modeling. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

HIPLZ: Enabling performance portability for exascale systems

While heterogeneous computing has emerged as a dominant trend in current and future High-Performance Computing (HPC) systems, it is also widely recognized that this shift has led to increased software complexity due to a proliferation of programming systems for different heterogeneous processors. One such example is the Heterogeneous-Compute Interface for Portability from AMD (HIP ), which is composed of a C Runtime API and C++ Kernel Language. Many HPC applications will likely use HIP on future exascale systems (e.g., Frontier and El Capitan), but HIP currently only targets AMD and NVIDIA processors. This limitation creates challenges for users who would also like to run their applications on exascale systems based on other architectures (e.g., Aurora, which is based on Intel hardware) that are currently not targeted by HIP . In this paper, we introduce the design and implementation of HIPLZ , a compiler and runtime system that uses the Intel Level Zero API to support HIP on Intel GPU architectures. We discuss the design of HIPLZ , derived from HIPCL (an implementation of HIP on top of OpenCL ), and portability issues that occur from using the Level Zero runtime as a backend. We evaluate our implementation by running several performance benchmarks and mini-apps written in HIP on Intel architectures using HIPLZ . Our results show that this approach provides competitive performance relative to Intel's OpenCL implementations on Intel Gen9 and UHD Graphics 770 GPUs, while providing good coverage of features needed by HPC applications. Overall, this approach is a promising demonstration of enabling performance portability for exascale systems.

97 MATHEMATICS AND COMPUTING↗

Nth-plant scenario for blended pellets of Miscanthus, Switchgrass, and Corn Stover using multi-modal transportation: Biorefineries and depots in the contiguous U.S.

The sustainability of the biofuel industry depends on the development of a mature conversion technology on a national level that can take advantage of the economies of scale: the nth-plant. Here, this study addresses the logistic challenge of mobilizing national cellulosic feedstock supplies for a sustainable bioenergy industry. A Mixed Integer Linear Programming (MILP) model was developed and updated to deliver on-spec biomass that considers both a desired quantity and quality at the biorefinery. Our supply chain analysis includes multi-modal transport (truck and rail), varying depot and biorefinery sizes, and feedstock blends of corn stover (harvested by either a two- or three-pass method), switchgrass, and miscanthus. The following US states: Illinois, Kansas, Missouri, North Carolina, Oklahoma, Georgia, and Texas were identified as key locations for producing accessible miscanthus. Based on our most optimistic scenario, using trucks as the only transportation mode in 2040 with a cost target of $\$$79/dt, corn stover, switchgrass, and miscanthus could help meet 48% of the EPA target, 173 million dry tons that translate into 7.8 billion GGE. The addition of rail transportation for biomass delivery to biorefineries could help meet 79% of the EPA target, 283 million dry tons that translate into 12.7 billion GGE.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Generalized optimization-based synthesis of membrane systems for multicomponent gas mixture separation

Synthesizing a membrane system to separate multicomponent gas mixture is challenging due to the combinatorial number of feasible configurations and the difficulties in describing the multicomponent permeators. Here we present a mixed-integer nonlinear programming (MINLP) model for synthesizing membrane systems for multicomponent gas mixture separation. The approach employs a richly connected superstructure to represent numerous potential system configurations, and different physics-based surrogate permeator models, such as countercurrent flow or crossflow, to be used in each stage. Moreover, to describe realistic systems, pressure drop equations can be included. We also present solution methods to accelerate the solution process. Through a case study of natural gas sweetening, we demonstrate that the proposed approach is able to obtain good solutions using an off-the-shelf global optimization solver. Finally, we expand the conventional membrane system synthesis problem by introducing feed variability in our model through a case study of an integrated reactor-separation system.

42 ENGINEERING↗

Integrated membrane material design and system synthesis

In designing membrane systems, the synergy between membrane materials and the process design is often overlooked. In this paper, we present a mixed-integer nonlinear programming (MINLP) model for synthesizing membrane systems while simultaneously designing the respective membrane materials for multicomponent gas separation. The approach considers superstructure representations for systems with: (1) same, (2) potentially different, and (3) property-targeting membrane materials. In the first two systems, the selection of membrane material is a decision, while in the final type, membrane permeances are subject to optimization. Physics-based surrogate models are used to describe permeation in crossflow and countercurrent flow permeators. We show that, through a case study of biogas upgrading, our approach obtains high quality solutions. Furthermore, we use the proposed approach while considering permeance-based production cost to find the optimal membrane.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗