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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Performance Testing and Assessment of Protection Scheme Using Real-Time Hardware-in-the-Loop and IEC 61850 Standard

The main challenge of the microgrid is to design a suitable protection scheme due to the complexity of the architecture of the microgrid. The importance of the proposed protection technique is threefold. First, it presents a co-simulation platform to integrate between a simulated model on power system computer aided design (PSCAD)/real time digital simulator computer aided design (RSCAD) software’s and physical devices schweitzer engineering laboratories (SEL) 421-7 relays to protect the microgrid that includes different resources connected based on inverter interface. Second, it presents a comprehensive hardware/software setup to test the protective relays in a closed loop system and shows how to configure the protective relay’s International Electrotechnical Commission 61850 communications. Third, IEEE 1588 standard is used to provide sub nanoseconds latency between the simulated model that emulated on real time digital simulator (RTDS) and the external devices. Also, the measurement signals are synchronized between RTDS and the external devices using giga-transceiver synchronization card (GTSYNC) interface card and SEL-2488 satellite-synchronized network clock. The results showed that the co-simulation infrastructure introduces a highly dependable design, analysis, and testing environment for cyber and physical data flow in the system. Besides that, the voltages at ac/dc sides and frequency at fault condition were maintained due to the energy storage device contributions at different modes of operation.

42 ENGINEERING↗
DOE OSTI2013

Sharp Interface Tracking in Rotating Microflows of Solvent Extraction

The objective of this project is to develop a specialized sharp interface tracking simulation capability for predicting interaction of micron-sized drops and bubbles in rotating flows relevant to optimized design of contactor devices used in solvent extraction processes of spent nuclear fuel reprocessing. The primary outcomes of this project include the capability to resolve drops and bubbles micro-hydrodynamics in solvent extraction contactors, determining from first principles continuum fluid mechanics how micro-drops and bubbles interact with each other and the surrounding shearing fluid for realistic flows. In the near term, this effort will play a central role in providing parameters and insight into the flow dynamics of models that average over coarser scales, say at the millimeter unit length. In the longer term, it will prove to be the platform to conduct full-device, detailed simulations as parallel computing power reaches the exaflop level. The team will develop an accurate simulation tool for flows containing interacting droplets and bubbles with sharp interfaces under conditions that mimic those found in realistic contactor operations. The main objective is to create an off-line simulation capability to model drop and bubble interactions in a domain representative of the averaged length scale. The technical approach is to combine robust interface tracking software, subgrid modeling, validation quality experiments, powerful computational hardware, and a team with simulation modeling, physical modeling and technology integration experience. Simulations will then fully resolve the microflow of drops and bubbles at the microsecond time scale. This approach is computationally intensive but very accurate in treating important coupled physical phenomena in the vicinity of interfaces. The method makes it possible to resolve spatial scales smaller than the typical distance between bubbles and to model some non-equilibrium thermodynamic features such as finite critical tension in cavitating liquids

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

CIRFT Testing of Used Nuclear Fuel Rods from the Limerick Generating Station Boiling Water Reactor (FY15 Status Report)

The objective of this project is to perform a systematic study of spent nuclear fuel (SNF, also known as “used nuclear fuel” [UNF]) integrity under simulated transportation environments using the Cyclic Integrated Reversible-Bending Fatigue Tester (CIRFT) hot-cell testing technology developed at Oak Ridge National Laboratory (ORNL) in August 2013. Under Nuclear Regulatory Commission (NRC) sponsorship, ORNL completed four benchmark tests, four static tests, and twelve dynamic or cycle tests on H. B. Robinson (HBR) high burn-up (HBU) fuel. The clad of the HBR fuels was made of Zircaloy-4. Testing was continued in fiscal year (FY) 2014 using Department of Energy (DOE) funds. Additional CIRFT testing was conducted on three HBR rods; two specimens failed, and one specimen was tested to over 2.23 × 10 7 cycles without failing. The data analysis on all the HBR SNF rods demonstrated that it is necessary to characterize the fatigue life of the SNF rods in terms of (1) the curvature amplitude and (2) the maximum absolute of curvature extremes. The maximum extremes are significant because they signify the maximum tensile stress for the outer fiber of the bending rod. CIRFT testing has also addressed a large variation in hydrogen content on the HBR rods. While the load amplitude is the dominant factor that controls the fatigue life of bending rods, the hydrogen content also has an important effect on the lifetime attained at each load range tested. In FY 15, eleven SNF rod segments from the Limerick BWR were tested using the ORNL CIRFT equipment; one test under static conditions and ten tests under dynamic loading conditions. Under static unidirectional loading, a moment of 85 N·m was obtained at a maximum curvature of 4.0 m -1 . The specimen did not show any sign of failure during three repeated loading cycles to a similar maximum curvature. Ten cyclic tests were conducted with amplitudes varying from 15.2 to 7.1 N·m. Failure was observed in nine of the tested rod specimens. The cycles-to-failure ranged from 1.22 × 10 5 to 4.70 × 10 6 , and the amplitudes varied from 15.2 to 7.6 N·m. The measurements at the interrupts indicated a range of flexural rigidity from 30 to 50 N·m 2 . Online monitoring revealed that the flexural rigidity was slightly lower due to the higher loading, from 25 to 42 N·m 2 . Generally, no substantial change of rigidity was observed based on the online monitoring during the cyclic fatigue testing process. Overall, the decreasing trend of sample lifetime with increasing amplitude is well defined.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

BWR Spent Nuclear Fuel Interfacial Bonding Efficiency Study

The objective of this project is to perform a systematic study of spent nuclear fuel (SNF, also known as “used nuclear fuel” [UNF]) integrity under simulated transportation environments using the Cyclic Integrated Reversible-Bending Fatigue Tester (CIRFT) hot-cell testing technology developed at Oak Ridge National Laboratory (ORNL) in August 2013. Under Nuclear Regulatory Commission (NRC) sponsorship, ORNL completed four benchmark tests, four static tests, and twelve dynamic or cycle tests on H. B. Robinson (HBR) high burn-up (HBU) fuel. The clad of the HBR fuels was made of Zircaloy-4. Testing was continued in fiscal year (FY) 2014 using Department of Energy (DOE) funds. Additional CIRFT testing was conducted on three HBR rods; two specimens failed, and one specimen was tested to over 2.23 × 10 7 cycles without failing. The data analysis on all the HBR SNF rods demonstrated that it is necessary to characterize the fatigue life of the SNF rods in terms of (1) the curvature amplitude and (2) the maximum absolute of curvature extremes. The maximum extremes are significant because they signify the maximum tensile stress for the outer fiber of the bending rod. CIRFT testing has also addressed a large variation in hydrogen content on the HBR rods. While the load amplitude is the dominant factor that controls the fatigue life of bending rods, the hydrogen content also has an important effect on the lifetime attained at each load range tested. In FY 15, eleven SNF rod segments from the Limerick BWR were tested using the ORNL CIRFT equipment; one test under static conditions and ten tests under dynamic loading conditions. Under static unidirectional loading, a moment of 85 N·m was obtained at a maximum curvature of 4.0 m -1 . The specimen did not show any sign of failure during three repeated loading cycles to a similar maximum curvature. Ten cyclic tests were conducted with amplitudes varying from 15.2 to 7.1 N·m. Failure was observed in nine of the tested rod specimens. The cycles-to-failure ranged from 1.22 × 10 5 to 4.70 × 10 6 , and the amplitudes varied from 15.2 to 7.6 N·m. The measurements at the interrupts indicated a range of flexural rigidity from 30 to 50 N·m 2 . Online monitoring revealed that the flexural rigidity was slightly lower due to the higher loading, from 25 to 42 N·m 2 . Generally, no substantial change of rigidity was observed based on the online monitoring during the cyclic fatigue testing process. Overall, the decreasing trend of sample lifetime with increasing amplitude is well defined.

interface bonding efficiency↗
DOE OSTI2015

3D Simulation of External Flooding Events for the RISMC Pathway

Incorporating 3D simulations as part of the Risk-Informed Safety Margins Characterization (RISMIC) Toolkit allows analysts to obtain a more complete picture of complex system behavior for events including external plant hazards. External events such as flooding have become more important recently – however these can be analyzed with existing and validated simulated physics toolkits. In this report, we describe these approaches specific to flooding-based analysis using an approach called Smoothed Particle Hydrodynamics. The theory, validation, and example applications of the 3D flooding simulation are described. Integrating these 3D simulation methods into computational risk analysis provides a spatial/visual aspect to the design, improves the realism of results, and can prove visual understanding to validate the analysis of flooding.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Integration of Thermoelectric Generator and Wireless Sensor Node Simulators

This report focuses on integrating TEG and WSN simulators with DC-DC converter as an interface. Here DC stands for direct current. DC-DC converter is essential to balance a wide range of analog, digital, and radio loads acting on the energy source. Also, the voltage level generated by TEGs under varying temperature conditions could be low, irregular, and insufficient to operate WSN, therefore DC-DC is required to boost up the voltage to a desired level. Most of the main problems of DC-DC converters used in TEG system are related to impedance matching between the internal resistance of TEG and the input resistance of DC-DC converter. This report would address the issue associated with dynamic impedance matching under varying temperature conditions in the effort to integrate TEG and WSN. In this effort, dynamic impedance matching algorithms like perturb and observe (P&O) and extremum seeking control (ESC) algorithms will de implemented and compared to achieve maximum peak power tracking (MPPT). In addition, the report will summarize the experimental study performed at BSU on profiling behavior of WSN prototype.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2019

DynamicME: dynamic simulation and refinement of integrated models of metabolism and protein expression

Background Genome-scale models of metabolism and macromolecular expression (ME models) enable systems-level computation of proteome allocation coupled to metabolic phenotype. Results We develop DynamicME, an algorithm enabling time-course simulation of cell metabolism and protein expression. DynamicME correctly predicted the substrate utilization hierarchy on a mixed carbon substrate medium. We also found good agreement between predicted and measured time-course expression profiles. ME models involve considerably more parameters than metabolic models (M models). We thus generate an ensemble of models (each model having its rate constants perturbed), and then analyze the models by identifying archetypal time-course metabolite concentration profiles. Furthermore, we use a metaheuristic optimization method to calibrate ME model parameters using time-course measurements such as from a (fed-) batch culture. Finally, we show that constraints on protein concentration dynamics (“inertia”) alter the metabolic response to environmental fluctuations, including increased substrate-level phosphorylation and lowered oxidative phosphorylation. Conclusions Overall, DynamicME provides a novel method for understanding proteome allocation and metabolism under complex and transient environments, and to utilize time-course cell culture data for model-based interpretation or model refinement.

Mathematical & Computational Biology↗
DOE OSTI2016

Operational Excellence through Schedule Optimization and Production Simulation of Application Specific Integrated Circuits.

Upcoming weapon programs require an aggressive increase in Application Specific Integrated Circuit (ASIC) production at Sandia National Laboratories (SNL). SNL has developed unique modeling and optimization tools that have been instrumental in improving ASIC production productivity and efficiency, identifying optimal operational and tactical execution plans under resource constraints, and providing confidence in successful mission execution. With ten products and unprecedented levels of demand, a single set of shared resources, highly variable processes, and the need for external supplier task synchronization, scheduling is an integral part of successful manufacturing. The scheduler uses an iterative multi-objective genetic algorithm and a multi-dimensional performance evaluator. Schedule feasibility is assessed using a discrete event simulation (DES) that incorporates operational uncertainty, variability, and resource availability. The tools provide rapid scenario assessments and responses to variances in the operational environment, and have been used to inform major equipment investments and workforce planning decisions in multiple SNL facilities.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2012

Simulated Performance of the Integrated PNAR and SINRD Detector Designed for Spent Fuel Measurements at the Fugen Reactor in Japan

Objective is to investigate the use of Passive Neutron Albedo Reactivity (PNAR) and Self-Interrogation Neutron Resonance Densitometry (SINRD) to quantify fissile content in FUGEN spent fuel assemblies (FAs). Methodology used is: (1) Detector was designed using fission chambers (FCs); (2) Optimized design via MCNPX simulations; and (3) Plan to build and field test instrument in FY13. Significance was to improve safeguards verification of spent fuel assemblies in water and increase sensitivity to partial defects. MCNPX simulations were performed to optimize the design of the SINRD+PNAR detector. PNAR ratio was less sensitive to FA positioning than SINRD and SINRD ratio was more sensitive to Pu fissile mass than PNAR. Significance was that the integration of these techniques can be used to improve verification of spent fuel assemblies in water.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Investigation of Cycling Coal-Fired Power Plants Using High-Fidelity Models

The project delivers a well-integrated and validated simulation platform for cycling operation analysis in coal-fired power plant. Two critical mechanical components of the boiler island were analyzed through mechanical integrity assessment and economic benefit analysis. The current phase of the project focuses on the development of the integrated simulation infrastructure and prove its feasibility and effectiveness using two typical use cases. This integrated platform can help save a lot of engineering efforts for model development and simulation analysis. Through the real simulation scenarios in this document, it was demonstrated that using this platform, an analysis can be completed in approximately 2 days, while it could cost several weeks before using this platform. Going forward, the platform built in this project can be used for more boiler service applications, and it can be further enhanced with more functions/features to maximize its usage and benefits. 1) Extend component-level analysis with more use cases to cover all the major critical components of boiler island under cycling operations. A library of critical components can be developed and validated for typical pulverized coal-fired subcritical boiler units. 2) Develop predictive maintenance features based on the integrated models (Digital Twins) and engineering analysis procedures. Predictive maintenance enables each asset to be serviced based on forecast on life consumption and cost profile for replacing/welding the critical mechanical parts of the boiler. This minimizes the chance of unscheduled shutdowns and emergency services at much higher costs and prevent the fatal accidents in unit operations. 3) Develop and maintain a standard library for critical component analysis under flexible plant operations, which will include libraries of: process models, MI models for typical pressure parts, and economic models with typical plant operating data and ISO power trade data.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2013

SHARP Assembly-Scale Multiphysics Demonstration Simulations

The NEAMS Reactor Product Line effort aims to develop an integrated multiphysics simulation capability for the design and analysis of future generations of nuclear power plants. The Reactor Product Line code suite’s multi-resolution hierarchy is being designed to ultimately span the full range of length and time scales present in relevant reactor design and safety analyses, as well as scale from desktop to petaflop computing platforms. In this report, we describe our efforts to integrate thermal/hydraulics, neutronics, and structural mechanics modeling codes to perform coupled analysis of a representative fast sodium-cooled reactor fuel assembly. Over the past five years, the Reactor Product Line effort has developed high-fidelity single-physics codes for neutron transport modeling, in the PROTEUS code, and Large Eddy Simulation-based thermal/fluid modeling in the Nek5000 code. Both these codes have been exercised on over 100,000 processors of the IBM Blue Gene/P. The Diablo code has been used to perform structural mechanics and thermo-mechanical modeling. MOAB, the Reactor Geometry Generator (RGG), and MeshKit have been developed to generate and manipulate mesh and mesh-based data, in both serial and parallel environments. These tools together form a strong basis on which to build a multi-physics modeling capability. The goal of developing such a tool is to perform multi-physics neutronics, thermal/fluid, and structural mechanics modeling of the components inside a reactor core. While the focus of this report is on modeling a fast sodium-cooled reactor, it is also the goal that this simulation tool be useful for most reactor types. Here we report on the integration of PROTEUS and Nek5000 into the NEAMS framework. Both codes have been modified to read and write data from and to the MOAB library, in both serial and parallel environments. We focused on broad support for as many original physics code options as possible, rather than focusing only on near-term needs. Both codes were demonstrated through this interface on a relatively simple, seven-pin hexagonal fuel assembly. To support coupled analysis, the new multi-physics driver library COUPE was developed; this library provides flexible support for both loose and tight coupling, and can interface flexibly with codes in multiple programming languages. To couple results between the separate meshes used in each physics, the driver, PROTEUS, and Nek5000 all interface with the MBCoupler solution transfer tool provided with MOAB. Together, these tools form the basis of a new, coupled neutronics and thermal/fluid modeling code, that works in both serial and parallel. In a related effort, a driver in the Diablo code was used to access Nek5000-computed results written to a MOAB database, as well as the temperature data used to drive structural mechanics computations.

Tautges, Timothy J.↗
DOE OSTI2024

Celeritas: Accelerating Geant4 with GPUs

Celeritas [1] is a new Monte Carlo (MC) detector simulation code designed for computationally intensive applications (specifically, High Lumi- nosity Large Hadron Collider (HL-LHC) simulation) on high-performance heterogeneous architectures. In the past two years Celeritas has advanced from prototyping a GPU-based single physics model in infinite medium to implementing a full set of electromagnetic (EM) physics processes in complex geometries. The current release of Celeritas, version 0.3, has incorporated full device-based navigation, an event loop in the presence of magnetic fields, and detector hit scoring. New functionality incorporates a scheduler to offload electromagnetic physics to the GPU within a Geant4-driven simulation, enabling integration of Celeritas into high energy physics (HEP) experimental frameworks such as CMSSW. On the Summit supercomputer, Celeritas performs EM physics between 6 and 32 faster using the machine’s Nvidia GPUs compared to using only CPUs. When running a multithreaded Geant4 ATLAS test beam application with full hadronic physics, using Celeritas to accelerate the EM physics results in an overall simulation speedup of 1.8–2.3× on GPU and 1.2× on CPU.

Johnson, Seth R.↗
DOE OSTI2025

Cooperative On-Ramp Merging with Time-Varying Vehicle-to-Vehicle Communication Delay Compensation via a Model-Free Approach

Cooperative merging strategies enabled by vehicle-to-vehicle (V2V) communication have shown promise in addressing congestion, fuel inefficiency, and collision risks. However, their performance can be severely degraded by time-varying and uncertain communication delays-an issue often overlooked in existing research, which primarily focuses on merging sequence determination and trajectory planning. Furthermore, practical considerations such as heterogeneous vehicle dynamics, varying road conditions, and real-time implementation complexities are frequently neglected. This paper presents a model-free, online planning framework for cooperative on-ramp merging of connected and automated vehicles (CAVs), explicitly accounting for time-varying V2V communication delays. Without relying on detailed vehicle dynamics, the proposed method introduces a data-driven delay compensation scheme. A co-simulation platform integrating high-fidelity vehicle dynamics, traffic simulation (SUMO), and V2V communication within MATLAB/Simulink is developed to evaluate the proposed method. Simulation results demonstrate that unaddressed V2V communication delays significantly impair merging performance. In contrast, the proposed framework enhances intervehicle distance tracking and maintains low CO2 emissions and fuel consumption, under communication delay across different communication frequencies. In conclusion, its lightweight design also facilitates real-time implementation, making it well-suited for deployment in practical CAV systems.

Accounting↗
DOE OSTI2024

Impact Analysis of High-Altitude Electromagnetic Pulse Coupling Effects on Power Grid Protection Relays

Protection relays are important equipment used for protection, control, and metering functions in the power grid. These relays are used to protect critical and difficult-to-replace equipment, like generators, transformers, and capacitor banks. Once the protection devices are disturbed or damaged, a high risk of power generation interruption occurs. Therefore, it is important and necessary to study the relay’s immunity to electromagnetic pulse (EMP) events. As a preliminary step toward empirical experimentation on actual equipment, this manuscript outlines an economical and efficient methodology for evaluating the impact of an EMP. An impedance measurement strategy was employed to model the equipment, setting the stage for subsequent immunity analyses. These analyses included the pulse current injection (PCI) method, which utilized an injecting probe to introduce the transient, and frequency domain electromagnetic (FEKO) simulation, which integrated electromagnetic coupling effects into the transient simulation. The impedance measurement and simulation results in this paper provide a reliable basis for gauging equipment performance in the face of HEMP threats. The results obtained using the PCI and FEKO simulations demonstrated the performance of different port responses under a high-altitude EMP, indicating the requirement for some protection to ensure the reliable operation of relays.

42 ENGINEERING↗
DOE OSTI2011

A1.5 Fusion Performance

Analysis and radiation hydrodynamics simulations for expected high-gain fusion target performance on a demonstration 1-GWe Laser Inertial Fusion Energy (LIFE) power plant in the mid-2030s timeframe are presented. The required laser energy driver is 2.2 MJ at a 0.351-{micro}m wavelength, and a fusion target gain greater than 60 at a repetition rate of 16 Hz is the design goal for economic and commercial attractiveness. A scaling-law analysis is developed to benchmark the design parameter space for hohlraum-driven central hot-spot ignition. A suite of integrated hohlraum simulations is presented to test the modeling assumptions and provide a basis for a near-term experimental resolution of the key physics uncertainties on the National Ignition Facility (NIF). The NIF is poised to demonstrate ignition by 2012 based on the central hot spot (CHS) mode of ignition and propagating thermonuclear burn [1]. This immediate prospect underscores the imperative and timeliness of advancing inertial fusion as a carbon-free, virtually limitless source of energy by the mid-21st century to substantially offset fossil fuel technologies. To this end, an intensive effort is underway to leverage success at the NIF and to provide the foundations for a prototype 'LIFE.1' engineering test facility by {approx}2025, followed by a commercially viable 'LIFE.2' demonstration power plant operating at 1 GWe by {approx}2035. The current design goal for LIFE.2 is to accommodate {approx}2.2 MJ of laser energy (entering the high-Z radiation enclosure or 'hohlraum') at a 0.351-{micro}m wavelength operating at a repetition rate of 16 Hz and to provide a fusion target yield of 132 MJ. To achieve this design goal first requires a '0-d' analytic gain model that allows convenient exploration of parameter space and target optimization. This step is then followed by 2- and 3-dimensional radiation-hydrodynamics simulations that incorporate laser beam transport, x-ray radiation transport, atomic physics, and thermonuclear burn [2]. These simulations form the basis for assessing the susceptibility to hydrodynamic instability growth, target performance margins, laser backscatter induced by plasma density fluctuations within the hohlraum, and the threat spectrum emerging from the igniting capsule, e.g., spectra, fluences and anisotropy of the x rays and ions, for input into the chamber survivability calculations. The simulations follow the guidelines of a 'point design' methodology, which formally designates a well-defined milestone in concept development that meets established criteria for experimental testing. In Section 2, the 0-d analytic gain model to survey gain versus laser energy parameter space is discussed. Section 3 looks at the status of integrated hohlraum simulations and the needed improvements in laser-hohlraum coupling efficiency to meet the LIFE.2 threshold (net) target gain of {approx}60. Section 4 considers advanced hohlraum designs to well exceed the LIFE.2 design goal for satisfactory performance margins. We summarize in Sec. 5.

42 ENGINEERING↗
DOE OSTI2024

Center for Tokamak Transient Simulations (RPI Unstructured Mesh Developments for FES SciDAC4 Partnerships) (Final Report)

The goal of this project was the development of unstructured mesh technologies for fusion simulation codes” for FES SciDAC partnerships and to integrate those technologies into the simulation workflows of those partnerships. Specific developments were executed in support of the following FES SciDAC4 partnerships: Partnership Center for High‐fidelity Boundary Plasma Simulation (HBPS), Center for Integrated Simulation of Fusion Relevant RF (RF‐SciDAC), Center for Plasma Surface Interactions: Predicting the Performance and Impact of Dynamic PFC Surfaces (PSI2), and Center for Tokamak Transient Simulations (CTTS). The key unstructured mesh development areas addressed in this project include (i) methods to most effectively perform PIC calculations on unstructured meshes; (ii) creating meshes for fusion systems accounting for any desired level of geometric complexity and providing physics aware mesh configurations, (iii) adapting unstructured meshes to control the discretization errors, (iv) executing unstructured mesh calculations on GPU accelerated systems, (v) supporting physics/application‐specific PIC operations including surface/wall interactions of particles, (vi) providing infrastructure tools to support the interactions of solvers with unstructured meshes, and (vii) providing advanced methods for coupling plasma physics codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Identifying Nuclear Data Correlated Through Predicting Bias in Integral Experiments via Applying Principal Component Analysis to Random Forest

ABSTRACT Nuclear data (ND) are the input data for neutron‐transport simulations to answer questions related to nuclear technologies. Subsets of ND, here > 20,000 data points, are validated with respect to thousands of criticality experiments that represent various applications on a small scale. The aim of validation with these experiments is to find errors in ND or methods. The key challenge here is that several hundreds of ND are used to simulate one integral value. Hence, one cannot clearly identify what ND are leading to bias in criticality measurements. In fact, a mistake in one nuclear‐data observable can be compensated with an error in another, and the predicted criticality value would still be predicted in agreement with experimental data. Random forest (RF) was previously employed to predict bias in criticality measurements using sensitivities of simulated criticality experiments to ND. The SHapley Additive exPlanations (SHAP) metric was then applied to attribute the importance of each ND experiment and observable to bias prediction. This, however, did not highlight what ND were jointly related to predicting bias. This is important as it could inform us about where compensating errors in ND could hide. We tackle this shortcoming here by first decomposing the ND sensitivities to integral‐experiment simulations into principal components. Then we use principal component projections to predict bias via the RF and SHAP. The SHAP values and principal components are employed to reconstruct detailed SHAP values for each ND observable. We demonstrate that these extended SHAP bias predictions are more robust, less noisy, and more efficient. In addition, we show that this approach accounts for covariance in ND sensitivities and automates the identification of where compensating errors could hide in ND.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗