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At least 1,171 records · Page 65

Multiscale and Machine Learning Modeling for Process-informed Microstructure Prediction in Additively Manufactured Materials Using MALAMUTE

Advanced Materials and Manufacturing Technologies (AMMT) program under the Department of Energy Office of Nuclear Energy, aims to develop and qualify additively-manufactured materials for nuclear applications. The key challenges to these efforts are the microstructural variabilities observed on the AM products and their impact on the properties and performance of the material in extreme environments. AMMT is using a combination of high-through-put experimental and modeling techniques to accelerate the qualification efforts. Conventionally, in-situ and ex-situ characterizations and testing are performed to correlate different aspects of the AM process to the final product and its performance. However, adopting a trial-and-error approach to experimentally evaluate the vast range of process parameters required to capture the microstructural variabilities is cost-prohibitive. Modeling and simulation provide a comparatively inexpensive way to understand and correlate the microstructural evolution to the processing conditions. The modeling and simulation work-packages within the AMMT program aims to use physics-based and machine learning modeling capabilities to develop a digital twin for AM that can correlate the process conditions to the final product and establish a process-structure-property-performance (PSPP) correlation for AM materials. The melting and subsequent solidification that occurs during the AM process is a complex phenomenon that requires multiscale multiphysics analysis. Idaho National Laboratory’s (INL) Multiphysics Object-Oriented Simulation Environment (MOOSE), specifically the MOOSE Application Library for Advanced Manufacturing UTilitiEs (MALAMUTE) software, provides an ideal platform for developing the multiphysics multiscale model to explore the intricacies of the microstructural evolution during the AM processes within a single framework. Furthermore, given that such full-fidelity simulations can be computationally intensive, reduced order models are necessary to explore the PSPP space for AM materials in an efficient, reliable, and cost-effective way. This work package focuses on understanding the role of process variabilities on the various microstructural characteristics of the AM materials. Microstructures unique to AM materials, such as compositional micro-heterogeneity and dislocation cells, are of particular interest here since they can influence the creep properties and radiation performance. In fiscal year (FY) 24, we significantly advanced upon our work in the last fiscal year, both on physics-based and ML models. The alloy solidification model available in MOOSE has been extended to incorporate the thermodynamic properties and free energy relevant to 316SS. The model demonstrates the Cr segregation that occurs during solidifcation. It is demonstrated that rate of solidification and solute segregation is primarily influence by the cooling rate dictating the level of freezing. This work captures the microstructural variabilities at the subgrain level that are often missing in the part-scale models. With an aim to connect the microstructural evolution model to realistic process conditions, a reduced order model is developed for predicting the thermal conditions around meltpool from high-fidelity process simulations. Furthermore, machine learning approach is used to accelerate the temperature prediction during the AM process. In the following years, MALAMUTE will be used to connect different aspects of the models and quantitatively predict the microstructural evolution. The developed ML-based surrogate model will consider the process conditions as the input to predict the microstructural features in a cost-effective way. The generated microstructures can be used by other work packages under AMMT to evaluate the properties and environmental response of the material at the mesoscale. Thus, this work help identify the key microstructural features at the subgrain level that are significant in property/performance prediction of the AM products. This work will provide inputs to the large-scale process variability models to reevaluate and validate assumptions/simplifications made in the part-scale models. Furthermore, through active learning this work will help identify the data need from both modeling and experimental sides for development of a robust digital twin for AM.

36 MATERIALS SCIENCE↗

Scalable Truck Charging Demand Simulation for Cost-Optimized Infrastructure Planning

This project developed a scalable, high-resolution model to simulate medium- and heavy-duty (MHD) electric truck charging demand and assess its impact on grid infrastructure. Using generative modeling, simulation, and cost optimization, the project delivered an end-to-end software pipeline and a library of 96 real-world scenarios for the Dallas–Houston megaregion. We demonstrated a modular architecture for transportation and grid modeling, implemented cost-optimized infrastructure planning methods, and quantified grid capital, operational, and environmental costs across a wide range of truck electrification scenarios. The results have been adopted by major utility stakeholders and contributed to regional planning efforts.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A thermal vacuum test optimization procedure

An analytical model was developed that can be used to establish certain parameters of a thermal vacuum environmental test program based on an optimization of program costs. This model is in the form of a computer program that interacts with a user insofar as the input of certain parameters. The program provides the user a list of pertinent information regarding an optimized test program and graphs of some of the parameters. The model is a first attempt in this area and includes numerous simplifications. The model appears useful as a general guide and provides a way for extrapolating past performance to future missions.

Kruger, R.↗

Finding Feasible Abstract Counter-Examples

A strength of model checking is its ability to automate the detection of subtle system errors and produce traces that exhibit those errors. Given the high computational cost of model checking most researchers advocate the use of aggressive property-preserving abstractions. Unfortunately, the more aggressively a system is abstracted the more infeasible behavior it will have. Thus, while abstraction enables efficient model checking it also threatens the usefulness of model checking as a defect detection tool, since it may be difficult to determine whether a counter-example is feasible and hence worth developer time to analyze. We have explored several strategies for addressing this problem by extending an explicit-state model checker, Java PathFinder (JPF), to search for and analyze counter-examples in the presence of abstractions. We demonstrate that these techniques effectively preserve the defect detection ability of model checking in the presence of aggressive abstraction by applying them to check properties of several abstracted multi-threaded Java programs. These new capabilities are not specific to JPF and can be easily adapted to other model checking frameworks; we describe how this was done for the Bandera toolset.

Pasareanu, Corina S.↗

Excavation Volume Growth Factors at Environmental Remediation Sites - 20318

The U.S. Army Corps of Engineers (USACE) manages numerous environmental remediation projects in accordance with the Comprehensive Environmental Response, Compensation, and Liability Act, otherwise known as CERCLA. These include projects for the Formerly Utilized Sites Remedial Action Program (FUSRAP). Utilizing the CERCLA framework to address these projects requires detailed cost estimates and a significant portion of costs are associated with the volume of material to be excavated and that material's final disposition. Accordingly, understanding the expected volumes and uncertainty associated with those volumes is vital to project cost estimating. These estimates are completed at various stages of the CERCLA process, thus the project team has varying degrees of information available from which to develop these estimates depending on how far along the project is. Understanding the factors contributing to volume growth (increase in volume of material from that originally estimated) is a crucial element to determining volume and cost uncertainty. This paper presents a case study of a FUSRAP site which involves excavation and offsite disposal of contaminated soils from complex commercial, industrial, and residential properties. Original volume estimates were compared to post excavation volumes on a property by property basis. Reasons for differences are determined along with magnitude of impacts to cost estimating. For both residential and commercial property types, volume estimating factors, uncertainty considerations, and methods to account for each are discussed with emphasis on volume growth considerations. Cost estimating model input considerations are discussed with specific emphasis on accounting for volume uncertainty at the Feasibility Study (FS) phase of CERCLA. Underestimating or overestimating costs at the FS phase has repercussions under CERCLA that may impact project close out or completion schedule. Discussions presented will be helpful to both reviewers and preparers of cost estimates involving excavations. Additionally, project planners may be able to use the information to plan for volume growth contingencies. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Economic viability of multiple algal biorefining pathways and the impact of public policies

This study presents an extensive systems-level multi-pathway sustainability assessment of algae biofuel production that demonstrates the necessity of high-value co-products, examines the impact of public policy scenarios, and identifies improvements and pathway directions required for economic viability. Engineering process models for several fuel and co-product pathways were leveraged to perform high fidelity techno-economic analysis. These pathways included: baseline hydrothermal liquefaction; protein extraction followed by hydro-thermal liquefaction; fractionation into high-value chemicals with fermentation followed by hydrothermal liquefaction for fuels; and a small-scale first-of-a-kind plant coupled with a wastewater treatment facility. From these models, it was shown that hydrothermal liquefaction as a fuel-only pathway is not economically viable. Likewise, the benefits of coupling with wastewater water treatment are insignificant compared to the impact ofreduced facility size resulting in increased capital costs. These models were also used to examine public policy scenarios, uniquely presenting their impact on the breakeven cost of fuel production and sensitivity to scenario assumptions. Specifically, depreciation type was shown to be irrelevant for write offs faster than 10 years. Due to discounting, short-term subsidies were found to capture 50% of the subsidy value in 6 years with an additional24 years required for full subsidy valuation. Integration of a carbon economy was shown to decrease biofuel production costs, particularly for the protein pathway due to the co-product accounting. Finally, a metric of normalized costs was used to compare algal biorefineries to corn and cellulosic ethanol production, showing that algal systems are uniquely different due to significantly higher capital costs, though operational costs are comparable. Overall, this work demonstrates that, to reach economic viability, algal biofuel production must either utilize higher value non-fuel co-products or achieve drastic reductions in capital costs.

09 BIOMASS FUELS↗

Cost effectiveness of conventional versus LANDSAT use data for hydrologic modeling

Six case studies were analyzed to investigate the cost effectiveness of using land use data obtained from LANDSAT as opposed to conventionally obtained data. A procedure was developed to determine the relative effectiveness of the two alternative means of acquiring data for hydrological modelling. The cost of conventionally acquired data ranged between $3,000 and $16,000 for the six test basins. Information based on LANDSAT imagery cost between $2,000 and $5,000. Results of the effectiveness analysis shows the differences between the two methods are insignificant. From the cost comparison and the act that each method, conventional and LANDSAT, is shown to be equally effective in developing land use data for hydrologic studies, the cost effectiveness of the conventional or LANDSAT method is found to be a function of basin size for the six test watersheds analyzed. The LANDSAT approach is cost effective for areas containing more than 10 square miles.

George, T. S.↗

Machine Learning for Daily Forecasts of Arctic Sea Ice Motion: An Attribution Assessment of Model Predictive Skill

Physics-based simulations of Arctic sea ice are highly complex, involving transport between different phases, length scales, and time scales. Resultantly, numerical simulations of sea ice dynamics have a high computational cost and model uncertainty. We employ data-driven machine learning (ML) to make predictions of sea ice motion. The ML models are built to predict present-day sea ice velocity given present-day wind velocity and previous-day sea ice concentration and velocity. Models are trained using reanalysis winds and satellite-derived sea ice properties. We compare the predictions of three different models: persistence (PS), linear regression (LR), and a convolutional neural network (CNN). We quantify the spatiotemporal variability of the correlation between observations and the statistical model predictions. Additionally, we analyze model performance in comparison to variability in properties related to ice motion (wind velocity, ice velocity, ice concentration, distance from coast, bathymetric depth) to understand the processes related to decreases in model performance. Results indicate that a CNN makes skillful predictions of daily sea ice velocity with a correlation up to 0.81 between predicted and observed sea ice velocity, while the LR and PS implementations exhibit correlations of 0.78 and 0.69, respectively. The correlation varies spatially and seasonally: lower values occur in shallow coastal regions and during times of minimum sea ice extent. LR parameter analysis indicates that wind velocity plays the largest role in predicting sea ice velocity on 1-day time scales, particularly in the central Arctic. Regions where wind velocity has the largest LR parameter are regions where the CNN has higher predictive skill than the LR.

54 ENVIRONMENTAL SCIENCES↗

Partitioning Models for Scaling Parallel Sparse Matrix-Matrix Multiplication

We investigate outer-product--parallel, inner-product--parallel, and row-by-row-product--parallel formulations of sparse matrix-matrix multiplication (SpGEMM) on distributed memory architectures. For each of these three formulations, we propose a hypergraph model and a bipartite graph model for distributing SpGEMM computations based on one-dimensional (1D) partitioning of input matrices. Here, we also propose a communication hypergraph model for each formulation for distributing communication operations. The computational graph and hypergraph models adopted in the first phase aim at minimizing the total message volume and balancing the computational loads of processors, whereas the communication hypergraph models adopted in the second phase aim at minimizing the total message count and balancing the message volume loads of processors. That is, the computational partitioning models reduce the bandwidth cost and the communication hypergraph models reduce the latency cost. Our extensive parallel experiments on up to 2048 processors for a wide range of realistic SpGEMM instances show that although the outer-product--parallel formulation scales better, the row-by-row-product--parallel formulation is more viable due to its significantly lower partitioning overhead and competitive scalability. For computational partitioning models, our experimental findings indicate that the proposed bipartite graph models are attractive alternatives to their hypergraph counterparts because of their lower partitioning overhead. Finally, we show that by reducing the latency cost besides the bandwidth cost through using the communication hypergraph models, the parallel SpGEMM time can be further improved up to 32%.

97 MATHEMATICS AND COMPUTING↗

Financial Comparisons across Different Business Models in the Canadian Airline Industry

This paper examines the accounting and stock price performance of two Canadian airlines, WestJet and Air Canada, over a five year period, taking into account the aftermath of the systemic shock to the airline industry produced by the September 11, 2001 (9-11), terrorist attacks and subsequent events such as the 2002 SARS outbreak, the wars in Afghanistan and Iraq, and the accompanying rise in jet fuel prices. Our study focuses on the viability of low-cost versus conventional-cost business models in Canada under the current business environment and the ability of airlines to withstand and effectively respond to catastrophic industry events. Furthermore, we link the effectiveness of the airlines responses to these events to specific elements of their respective business models. We test our hypothesis through a case study. We focus on WestJet as a typical low-cost airline and compare its accounting and stock performance to Air Canada, a legacy carrier and rival in several business sectors. We find WestJet to be much less affected by catastrophic industry events. By decomposing each airline s return volatility, we observe that WestJet s systematic and unsystematic risk increased only slightly during the industry's post-9-11 turmoil when compared to Air Canada. In addition, we find that both WestJet s accounting and stock performance have been highly superior to those of Air Canada. We argue that WestJet s business model provides the firm with significantly more financial and operational flexibility than its legacy rival, Air Canada. WestJet's lower operating costs, high consumer trust, product offering, corporate structure, workforce and work practices, as well as operational procedures are all factors that appear to contribute to its relative success.

Flouris, Triant↗

Performance Models for Split-execution Computing Systems

Split-execution computing leverages the capabilities of multiple computational models to solve problems, but splitting program execution across different computational models incurs costs associated with the translation between domains. We analyze the performance of a split-execution computing system developed from conventional and quantum processing units (QPUs) by using behavioral models that track resource usage. We focus on asymmetric processing models built using conventional CPUs and a family of special-purpose QPUs that employ quantum computing principles. Our performance models account for the translation of a classical optimization problem into the physical representation required by the quantum processor while also accounting for hardware limitations and conventional processor speed and memory. We conclude that the bottleneck in this split-execution computing system lies at the quantum-classical interface and that the primary time cost is independent of quantum processor behavior.

multiprocessor↗

Living in contained environments: Research implications from undersea habitats

A cost-reward model is used to frame a discussion of differences in observed behavior of individuals and groups in confined environments. It has been observed that the high cost of functioning in a stressful environment is likely to produce poor performance when anticipated rewards are low but that participants can manage the stress and achieve high performance if they anticipate high rewards. The high-reward environment is exemplified by early undersea habitats such as Sealab and Tektite and by early space missions. Other aspects of behavior occur in all confined environments and point to an important area for future research. Of particular interest are intergroup conflicts arising between the confined group and its external control. Also, individual differences in personality seem always to have an impact in confined environments. Recent research has focused on: (1) predicting performance and adjustment based on instrumental and expressive aspects of the self; (2) the differential predictive power of achievement striving and irritation/irritability in Type A personalities; and (3) the nature and role of leadership in small, isolated groups.

Helmreich, Robert L.↗

Modeling Progressive Failure of Bonded Joints Using a Single Joint Finite Element

Enhanced finite elements are elements with an embedded analytical solution which can capture detailed local fields, enabling more efficient, mesh-independent finite element analysis. In the present study, an enhanced finite element is applied to generate a general framework capable of modeling an array of joint types. The joint field equations are derived using the principle of minimum potential energy, and the resulting solutions for the displacement fields are used to generate shape functions and a stiffness matrix for a single joint finite element. This single finite element thus captures the detailed stress and strain fields within the bonded joint, but it can function within a broader structural finite element model. The costs associated with a fine mesh of the joint can thus be avoided while still obtaining a detailed solution for the joint. Additionally, the capability to model non-linear adhesive constitutive behavior has been included within the method, and progressive failure of the adhesive can be modeled by using a strain-based failure criteria and re-sizing the joint as the adhesive fails. Results of the model compare favorably with experimental and finite element results.

Stapleton, Scott E.↗

Subsonic Ultra Green Aircraft Research: Phase 2: Hybrid Electric Design Exploration - Volume 2

This report summarizes the hybrid electric concept design, analysis, and modeling work accomplished by the Boeing Subsonic Ultra Green Aircraft Research (SUGAR) team, consisting of Boeing Research and Technology, Boeing Commercial Airplanes, General Electric, and Georgia Tech.Performance and sizing tasks were conducted for hybrid electric versions of a conventional tube-and-wing aircraft and a hybrid wing body. The high wing Truss Braced Wing (TBW) SUGAR Volt was updated based on results from the TBW work (documented separately) and new engine performance models. Energy cost and acoustic analyses were conducted and technology roadmaps were updated for hybrid electric and battery technology. NOx emissions were calculated for landing and takeoff (LTO) and cruise. NPSS models were developed for hybrid electric components and tested using an integrated analysis of superconducting and non-superconducting hybrid electric engines. The hybrid electric SUGAR Volt was shown to produce significant emissions and fuel burn reductions beyond those achieved by the conventionally powered SUGAR High and was able to meet the NASA goals for fuel burn. Total energy utilization was not decreased but reduced energy cost can be achieved for some scenarios. The team was not able to identify a technology development path to meet NASA's noise goals

Bradley, Marty K.↗

Hybridization of IMC and PID control structures based on filtered GPC using genetic algorithm

Classical and advanced hybridization methods are employed in the control literature to calibrate the tuning parameters of internal model control (IMC) and proportional-integral-derivative (PID) controllers. This paper presents an alternative tuning design for the generalized predictive controller (GPC) that is based on both the positional process model and cost function. The proposed method involves the selection of an integral polynomial weighting filter for reference and output signals to deal with reference tracking, disturbance rejection, model-plant mismatch (MPM), minimum control energy and closed-loop robustness. The filter positional GPC (FP-GPC) obtained is transformed into a two-degree-of-freedom polynomial filtered RST structure and then into filtered internal model control (F-IMC) and PID controllers. Also, a multi-objective optimization based on genetic algorithm is applied to tune the filter parameters. Numerical and experimental essays show the effectiveness of the proposed control methodology.

97 MATHEMATICS AND COMPUTING↗

Recent advances and challenges in optimization models for expansion planning of power systems and reliability optimization

Optimization models for expansion planning of power systems aim to determine capacities, investment timing, and location of power systems to satisfy the power demands while minimizing the total cost. The models have become complex in recent years to reflect both regulations on conventional energy sources and the increasing penetration of renewable energy sources (RES). This paper reviews the basic concepts and optimization models for expansion planning of power systems. We first explain the definition and features of generation expansion planning (GEP), transmission expansion planning (TEP), and generation and transmission expansion planning (GTEP). To address the computational challenges of large-scale expansion planning problems, we review several simplifications including temporal and spatial aggregation, and decomposition methods. This paper also addresses power system reliability defined as the probability of satisfying the load demand while withstanding failures of components. Finally, the goal of this paper is to provide a research overview, discuss trends in expansion planning of power systems, and suggest directions for future research.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

U.S. Solar Photovoltaic System and Energy Storage Cost Benchmark: Q1 2020 [PowerPoint]

NREL has been modeling U.S. photovoltaic (PV) system costs since 2009. This report benchmarks costs of U.S. solar PV for residential, commercial, and utility-scale systems, with and without storage, built in the first quarter of 2020 (Q1 2020). Our methodology includes bottom-up accounting for all system and project-development costs incurred when installing residential, commercial, and utility-scale systems, and it models the capital costs for such systems.

14 SOLAR ENERGY↗

Facilitated transport membranes for H 2 purification from coal-derived syngas: A techno-economic analysis

A single-stage membrane process has been designed for using facilitated transport membranes (FTMs) to decarbonize the coal-derived syngas from an integrated gasification combined cycle (IGCC) power plant. The necessary process model and costing method have also been developed to assess the technical feasibility and process economics. In order to account for the carrier saturation phenomenon associated with FTMs, a homogeneous reactive diffusion model is integrated into the process model. The techno-economic study reveals that the mitigated carrier saturation upon bulk CO 2 removal can lead to appreciable increases in the CO 2 permeance and CO 2 /H 2 selectivity, which can be utilized to achieve 95% CO 2 purity and 95% H 2 recovery with a CO 2 /H 2 selectivity of 50 at the complete carrier saturation. FTMs with different facilitated transport characteristics can also be arranged in a hybrid membrane configuration to render a H 2 recovery of 99% and a cost of electricity of $\$118.5$ /MWh, which is 12.5% lower than that of the benchmark Selexol process.

42 ENGINEERING↗