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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

Fracture mechanics approach to TRISO fuel particle failure analysis

Weibull stress-based methods for failure probability assessment have been developed and analyzed to assess the integrity of tristructural isotropic (TRISO) fuel particles during fuel life cycles and accident operating conditions. While simple, these methods entail a number of drawbacks when stress concentrates near crack tips, including finite element mesh size dependency when the Weibull stress is averaged over the finite element domain. Fracture mechanics approaches involving the use of interaction integrals eliminate this lack of mesh convergence and produce consistent fracture predictions. In this work, we use an interaction integral approach to computing stress intensity factors for a crack in the inner pyrolytic carbon layer perpendicular to the silicon carbide layer, which is simplified representation of a failure mode in TRISO particles. Further, the interface between these two TRISO layers has been shown to become porous, which we simulate by considering a transition of mechanical properties over such porous length, i.e. the layers are modeled as a functionally graded material. Aspects such as porosity and thermal and irradiation eigenstrains are considered in computing the stress intensity factor from a fracture mechanics approach and compared with the known Weibull stress failure approach. The methodology introduced in this paper enables a more general fracture probability assessment in TRISO particles and eliminates the need to identify best suited parameters when using local or averaged stress-based failure criterion. Finally, the numerical sensitivity studies show how parameters such as the porous transition zone length, the material stiffness, and creep affect the probability of TRISO fuel particle failure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Assessment of Grizzly Capabilities for Reactor Pressure Vessels and Reinforced Concrete Structures

Over the last several years, capabilities to simulate the progression and effects of degradation in critical structures in light water reactor (LWR) nuclear power plants have been under development in the Grizzly code. Age-related material degradation is important for a number of systems in LWRs, but the main focus for Grizzly development has been on reactor pressure vessels (RPVs) and concrete structures because of their central role and the difficulty of replacement of these structures if they are found to be degraded to an unacceptable degree. The capabilities for analyzing both RPVs and concrete structures in Grizzly have reached a point where the feature sets are sufficiently complete to perform credible analyses of those types of structures. Because of this, the emphasis has shifted from foundational development to assessing the accuracy of these modeling capabilities on representative problems of interest and on improving the physical basis of those models to improve their ability to predict the actual response of those structural systems. This report documents a first set of test cases that have been developed to assess the Grizzly code on real-world problems for these two types of structures. For RPVs, these test cases consist of a set of benchmark problems where Grizzly is compared to another code. For concrete structures, a set of models of experimental specimens designed to characterize the multidimensional swelling response of reinforced concrete members due to alkali-silica reaction (ASR) has been developed and compared with experimental results. Both the RPV and concrete test cases developed here are much more computationally intensive than the small regression tests that are used in the testing that Grizzly undergoes every time a proposed set of changes is made to ensure that those changes do not adversely affect previously established behavior. A system for regularly running these large problems to monitor the behavior of the code as it is developed has been instituted. While these test cases generally indicate good comparison with the benchmark results, they also indicate areas where further development is warranted.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Opportunities and data requirements for data-driven prognostics and health management in liquid hydrogen storage systems

During the past decade, Prognostics and Health Management (PHM) has become an important set of tools in various areas of industry and academic reliability engineering. PHM consists of a variety of mathematical and computational methods used to support data-driven decision-making to increase the safety, availability, and reliability of complex engineering systems. In particular, PHM can provide crucial insight into reliability and safety design improvements for developing technologies where historical performance and failure data are limited. This is the case of hydrogen fueling and storage technologies. This work presents a high-level approach for designing data-driven PHM applications for bulk liquid hydrogen (LH 2 ) storage systems for hydrogen fueling stations. This paper addresses core aspects of the design, development, and implementation of data-driven PHM applications that can improve the reliability assessment of hydrogen components. The analysis focuses on the relationship between data availability and diagnostic/prognostic capabilities; potential challenges; and integration schemes for current risk mitigation measures. We identify potential condition-monitoring data sources for key components in an LH 2 storage system, including storage tanks, piping, and pumps. Further, we determine that the short-term goals for the implementation of data-driven models in PHM frameworks in hydrogen systems should focus on developing adequate data collection and analysis strategies, as well as exploring the effect on reliability, safety, and regulations for hydrogen systems.

08 HYDROGEN↗

Encrypted Control Using Modified Learning With Errors-based Schemes

Cyber-physical systems (CPSs) require reliable, safe, and secure control of critical infrastructure, combining computational and networking capabilities, which heighten the risk of cyber attacks. These attacks can disrupt the physical process, causing unforeseen consequences. One solution is the use of fully homomorphic encryption (FHE) to protect the control loop, allowing for secure computations and communications without compromising signal and control system privacy. The challenge with FHE, however, is its requirement for inputs to be integers. This paper introduces a modified Learning With Errors (LWE) FHE approach that encodes control system dynamics and signals into integers. Our proposed scheme leverages a generalized LWE encoding function and modifies the Gentry-Sahai-Waters (GSW) gadget decomposition tool to encrypt the control system. Using the modified LWE scheme, we formalize a fully encrypted control system, supported by simulated results.

42 - ENGINEERING↗

Cybersecurity for Distance Relay Protection

This project is a DOE follow-up effort on the CREDC workshop held on September 13, 2018 in Cambridge, MA to discuss cybersecurity of distance relays, which considered the benefits, vulnerabilities and risk mitigations for the use of communication systems in power system protection. The objectives of this project are to define the taxonomy of relay protection and associated communications; define use cases describing approaches to reduce the cyber-attack surface on those protective relays; and evaluate the loss of operational functional capability from changes to communication coverage. Mitigating controls will also be evaluated to understand if there are other approaches to reduce attack surfaces while maintaining communications or partial communications. Distance relays are used to protect transmission lines of approximately 10 to 300 miles in length, by detecting short circuits (i.e., faults) on the lines and then tripping circuit breakers in the substation. Such protection systems are a subset of the power system and they incorporate sensing, logic and communication functions. Protection system exposure to cyberattack could be drastically limited by disconnecting relays from all vulnerable communication systems, but this may adversely impact overall power system performance in the absence of cyberattack. This project began with a use case analysis of protection systems with communications, as summarized in this report. It continued with modeling, testing and evaluation in a miniature power system (MPS), located in the Western Area Power Administration (WAPA) Electric Power Training Center (EPTC). The project also incorporated feedback from two industry meetings held in February and September 2019. The suggested next steps account for and complement the work already underway with DOE/CESER funding: 1. Study the performance of LCD and PC vs. PUTT, which is less reliant on communication system performance and GPS timing references. The PUTT scheme could prove to be more resilient to cyberattack or communications-related disruption. It could also be more tolerant of message re-routing with SDN/SDR communication systems. On the other hand, it will be more vulnerable to false tripping during dynamic events or to loss of the voltage signal. The optimum choice of scheme may depend on the specific power system and risk assessment. This study could provide a new template for evaluation based on business functions. 2. Research and develop new methods to detect and monitor distributed physical attacks, possibly using drones, video sensors, thermal sensors, machine learning and other advanced techniques. This will help mitigate the impact of cyberattack on the protection system, and will also help mitigate the impact of wild fires. 3. Implement a scalable PKI for use in electric utility protection systems. This will encourage widespread adoption of secure authentication methods that are already available, but not widely used at present. This will help secure engineering access to the relays. 4. Investigate the use of SDN in combination with SDR to achieve better cybersecurity and electromagnetic security of the network, incorporating path variability. This would help secure both engineering access and peer-to-peer GOOSE messaging. 5. Perform additional testing, with operator evaluation of “red button” scenarios, PUTT vs. LCD, relay mis-operations, and other cyberattacks in the EPTC. This is an important advantage of testing in the EPTC rather than by computer simulation or even hardware-in-the-loop simulation; the EPTC is already dedicated to managing the situational awareness, operator response times and other human impacts. One of the project objectives was to settle on a common nomenclature for this problem space. We have concluded that the OSI layer model, supplemented by ANSI device numbers and other IEEE standards, is already well-accepted by the industry. The IEEE PSRC knowledge base provides a great deal of public information

24 POWER TRANSMISSION AND DISTRIBUTION↗

Assessing and Enabling Trustworthy Predictions for High-Consequence Decisions

Predictions from physics-based computational models provide critical information to inform high consequence decisions, e.g., engineering design decisions. The ability to assess the reliability of such predictions is therefore critical. However, to date, reliability assessment rely heavily on expert judgment and qualitative arguments. This report details the efforts of LDRD 233072 to develop quantitative methods to assess reliability of model predictions, especially in the context of simplifying assumptions that can impact their reliability.

42 ENGINEERING↗

COMPUTATION FLUID DYNAMICS ANALYSIS FOR GENERIC SMALL MODULAR REACTOR CONTAINMENT SEPARATE EFFECTS TEST

It is desirable for fourth-generation Small Modular Reactors to be passively cooled in standard and accident operations. Passive Containment Cooling Systems can reject heat from the containment structure, without using pumps or blowers. The targeted design containment structure is a large, domed, stainless steel, cylindrical vessel. In a postulated Design Basis Accident, steam will flash inside containment. Steam condensation occurs on the inner containment wall and transfers heat through the steel containment into a large body of water known as the annular reservoir (AR) surrounding the vessel serving as the ultimate heat sink. Natural circulation drives the flow in the AR and heat will be released to the environment by evaporation of water. Unique containment geometry requires a separate effects test (SET) facility for the verification and validation of the computer code and evaluation model development and assessment for reactor licensing efforts. In this study, STAR-CCM+, a computational fluid dynamics (CFD) code was used to inform the decision-making process on the design of the SET. The CFD simulation modeled, a two-phase turbulent flow with fluid film development and heat transfer for different containment geometries. The Reactor Excursion and Leak Analysis Program will also be used in a code-to-code verification against the CFD results.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

Scalable Control Co-design for Resilient-by-Design Cyber Physical Systems

Critical infrastructure networks, such as power and transportation networks, are often modelled as cyber-physical systems. With ever increasing complexity of these systems, there is a need for newer and more relevant metrics and design tools that will co-optimize the physical system components and control policies to guarantee resilience against cyber and natural threats. To this end, a simulation-based control co-design computational framework that will concurrently determine the system and control parameters of a cyber-physical system to meet pre-specified resilience, operational and economic objectives has been developed. The capabilities of the developed co-design engine are demonstrated by designing the physical components and control parameters of a microgrid system that will meet its resiliency objectives when subjected to various cyber and physical threats.

42 ENGINEERING↗

Provisioning cooling elements for chillerless data centers

Systems and methods for cooling include one or more computing structures, a heat rejection system configured to cool coolant, and one or more heat exchangers configured to selectively transfer heat from coolant in the intra-structure cooling system to coolant in the heat rejection system. Each computing structure includes one or more cooled servers and an intra-structure cooling system configured to selectively provide coolant to the one or more cooled servers. A controller is configured to adjust cooling of the coolant in accordance with ambient temperature information, to decrease cooling of the coolant if the coolant temperature falls below a first coolant threshold temperature by disengaging one or more heat exchangers, and to turn on additional servers if the coolant temperature is below the first cool and threshold and all heat exchangers have been disengaged.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A quantum algorithm for evolving open quantum dynamics on quantum computing devices

Abstract Designing quantum algorithms for simulating quantum systems has seen enormous progress, yet few studies have been done to develop quantum algorithms for open quantum dynamics despite its importance in modeling the system-environment interaction found in most realistic physical models. In this work we propose and demonstrate a general quantum algorithm to evolve open quantum dynamics on quantum computing devices. The Kraus operators governing the time evolution can be converted into unitary matrices with minimal dilation guaranteed by the Sz.-Nagy theorem. This allows the evolution of the initial state through unitary quantum gates, while using significantly less resource than required by the conventional Stinespring dilation. We demonstrate the algorithm on an amplitude damping channel using the IBM Qiskit quantum simulator and the IBM Q 5 Tenerife quantum device. The proposed algorithm does not require particular models of dynamics or decomposition of the quantum channel, and thus can be easily generalized to other open quantum dynamical models.

42 ENGINEERING↗

Whitepaper: Optimal Control from a Fluid Dynamics Perspective

An optimal control problem described by the Hamilton-Jacobi-Bellman equation can be developed into a problem that can be solved by general computational fluid dynamics packages. We describe how this formulation would allow a classical problem in optimal control, Zermelo’s problem, to be treated as a multi-fluid problem. This approach has the advantage of allowing optimal navigation problems to be conducted over large areas, as well as to include moderately larger numbers of ships. We draw comparisons between this approach and the field of fluid control for fluid animations in movies.

42 ENGINEERING↗

A numerical-homogenization based phase-field fracture modeling of linear elastic heterogeneous porous media

Most porous media, such as geomaterials and biomaterials are highly heterogeneous in nature, and they contain large variations of microscopic pore structures, such as pore sizes, pore distribution, and pore shapes. The oscillation of microscopic structures is a substantial challenge in theoretical characterization and is usually ignored in continuous modeling. However, mechanical behavior of porous media such as deformation and failure, are essentially impacted by the microscopic heterogeneity which needs to be considered in modeling a porous media. Here, this research proposes a numerical modeling framework with a capability to investigate the effect of microscopic heterogeneity on the macroscopic fracture behavior in porous media by using a numerical homogenization technique, combined with the phase-field fracture modeling method. This numerical modeling strategy computes a homogenized elasticity tensor based on microscopic heterogeneous pore structures heterogenous porous domain by solving boundary value problems at microscopic domain. The strain energy and subsequent propagation of macroscopic fractures will be updated using homogenized stiffness information. Using this numerical scheme, the microscopic pore structure’s impact on the fracture behavior through the homogenized elastic tensor will be taken into account. This multiscale technique is benchmarked against classical problems. Finally, the results highlight the importance of the underlying pore structure and reveal that both fracture strength and propagation path can be influenced by the microscopic heterogeneity.

36 MATERIALS SCIENCE↗

Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models

The solvation properties of molecules, often estimated using quantum chemical simulations, are important in the synthesis of energy storage materials, drugs, and industrial chemicals. Here, we develop machine learning models of solvation energies to replace expensive quantum chemistry calculations with inexpensive-to-compute message-passing neural network models that require only the molecular graph as inputs. Our models are trained on a new database of solvation energies for 130,258 molecules taken from the QM9 dataset computed in five solvents (acetone, ethanol, acetonitrile, dimethyl sulfoxide, and water) via an implicit solvent model. Our best model achieves a mean absolute error of 0.5 kcal/mol for molecules with nine or fewer non-hydrogen atoms and 1 kcal/mol for molecules with between 10 and 14 non-hydrogen atoms. We make the entire dataset of 651,290 computed entries openly available and provide simple web and programmatic interfaces to enable others to run our solvation energy model on new molecules. This model calculates the solvation energies for molecules using only the SMILES string and also provides an estimate of whether each molecule is within the domain of applicability of our model. We envision that the dataset and models will provide the functionality needed for the rapid screening of large chemical spaces to discover improved molecules for many applications.

25 ENERGY STORAGE↗

A Blockchain-Enabled Sustainable Safety Management Framework for Connected Vehicles

The notion of an intelligent transportation system (ITS) aims to boost the performance of transportation networks, which has gained more and more traction in both academic and commercial circles. ITS is a constantly evolving vision that combines cutting-edge transportation approaches with new information, communication, computers, and other technology. ITS should discover consequence routes to enhance the sustainability, safety, and trustworthiness of the entire transportation system utilizing emerging technologies. In this paper, a sustainable safety management framework for connected vehicles is proposed by integrating blockchain. It introduces smart transportation equipment called an AI-enabled vehicle smart device (AVSD) for vehicular communications. AVSD can reduce energy consumption by decreasing the computational costs in vehicular communications. Smart contracts are used to identify vehicles automatically and establish secure communication among vehicles and emergency service stations (ESSs) like hospitals, police stations, and fire stations. The experiment results show that the proposed framework provides a communication environment for sustainable safety and security using the introduced smart transportation device. In conclusion, the proposed blockchain-enabled sustainable safety management framework has the potential to improve safety and sustainability in the transportation industry by creating a secure, decentralized, and transparent platform for managing safety data and promoting safe and sustainable driving behaviors.

42 ENGINEERING↗

Validating Thermal Compensated Deposition using Computed Aided Manufacturing Software

DP Technology Corporation’s flagship product, ESPRIT, is a highly adaptable computer-aided manufacturing system that’s used across industries and continents to create nearly anything. ESPRIT is used to generate toolpath trajectories for traditional subtractive and additive manufacturing (AM) cycles. DP Technology and Oak Ridge National Laboratory have partnered together to improve the generated additive toolpath by means of API simulation. The potential impact of this research is the enhancement of toolpath planning for additive and hybrid manufacturing. Being able to simulate and compensate for various effects such as overheating, and distortion are critical components for the industrial adoption of hybrid manufacturing processes. Industrial applications include the mold & die, automotive, and aerospace industries.

42 ENGINEERING↗

Modeling Time-Dependent Surrogates of Additive-Manufactured Nuclear Fuels Processes

Additive manufacturing (AM) technology is being increasingly adopted in a wide variety of application areas for its ability to rapidly produce, prototype, and customize designs. Recently, a hybrid AM technique was successfully developed at Idaho National Laboratory (INL) to manufacture nuclear fuels [1]. Despite the advantages, this AM technique needs optimization due to defects from a highly complex melting and sintering process. The complex metallurgical phenomena during AM processes are strongly related to parameters such as applied laser power, traveling speed, and scan style, which could lead to differences in density, residual stress, crystallographic texture, and mechanical properties. In addition, stochastic variations in laser energy interaction and associated multiscale/multiphysics phenomena cause variations in microstructure evolution and mechanical properties. Currently, researchers at INL are focusing on developing a comprehensive modeling framework, leveraging INL’s simulation tools MOOSE/MARMOT/BISON/RAVEN [2-4] to describe all steps of this AM process across multiple length scales. Although this advanced framework plays a critical role in enabling enhancements to traditional trial and error approaches for design and optimization of nuclear fuel materials, it remains computationally intense, limiting its use in sensitivity and optimization analysis. In this case, an accurate and inexpensive surrogate becomes an effective tool for providing a tractable approximation of the underlying underline physics. Surrogate models generally not based on the physics of a system are purely mathematical models used to capture the relationships between specific system inputs and outputs. Popular approaches, including neural networks [5], response surfaces [6], and subspace-based reduced order models [7], have been applied to a wide range of disciplines, such as nuclear reactor design, aerospace design and automotive design. In this summary, we employ advanced time-dependent surrogate models such as high-dimensional model representation (HDMR) [8] and physics-informed deep neural network (PINNs) [9] to accelerate the design and optimization of AM process.

42 ENGINEERING↗

Giving Research Software Engineers a Larger Stage Through the Better Scientific Software Fellowship

The Better Scientific Software Fellowship (BSSwF) was launched in 2018 to foster and promote practices, processes, and tools to improve developer productivity and software sustainability of scientific codes. The BSSwF’s vision is to grow the community with practitioners, leaders, mentors, and consultants to increase the visibility of scientific software. Over the last five years, many fellowship recipients and honorable mentions have identified as research software engineers (RSEs). Furthermore, case studies from several of the program’s participants illustrate the diverse ways the BSSwF has benefited both the RSE and scientific communities. In an environment where the contributions of RSEs are too often undervalued, we believe that programs such as the BSSwF can help recognize and encourage community members to step outside of their regular commitments and expand on their work, collaborations, and ideas for a larger audience.

97 MATHEMATICS AND COMPUTING↗

Distributed Stochastic Optimization of a Neural Representation Network for Time-Space Tomography Reconstruction

4D time-space reconstruction of dynamic events or deforming objects using X-ray computed tomography (CT) is an important inverse problem in non-destructive evaluation. Conventional back-projection based reconstruction methods assume that the object remains static for the duration of several tens or hundreds of X-ray projection measurement images (reconstruction of consecutive limited-angle CT scans). However, this is an unrealistic assumption for many in-situ experiments that causes spurious artifacts and inaccurate morphological reconstructions of the object. To solve this problem, we propose to perform a 4D time-space reconstruction using a distributed implicit neural representation (DINR) network that is trained using a novel distributed stochastic training algorithm. Our DINR network learns to reconstruct the object at its output by iterative optimization of its network parameters such that the measured projection images best match the output of the CT forward measurement model. Here, we use a forward measurement model that is a function of the DINR outputs at a sparsely sampled set of continuous valued 4D object coordinates. Unlike previous neural representation architectures that forward and back propagate through dense voxel grids that sample the object's entire time-space coordinates, we only propagate through the DINR at a small subset of object coordinates in each iteration resulting in an order-of-magnitude reduction in memory and compute for training. DINR leverages distributed computation across several compute nodes and GPUs to produce high-fidelity 4D time-space reconstructions. We use both simulated parallel-beam and experimental cone-beam X-ray CT datasets to demonstrate the superior performance of our approach.

36 MATERIALS SCIENCE↗