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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 OSTI2020

Comparative Analysis of In Vitro Responses and Regeneration between Diverse Bioenergy Sorghum Genotypes

Sorghum has been considered a recalcitrant plant in vitro and suffers from a lack of regeneration protocols that function broadly and efficiently across a range of genotypes. This study was initiated to identify differential genotype-in vitro protocol responses across a range of bioenergy sorghum parental lines and the common grain sorghum genotype Tx430 in order to characterize response profiles for use in future genetic studies. Two different in vitro protocols, LG and WU, were used for comparisons. Distinct genotype-protocol responses were observed, and the WU protocol performed significantly better for plantlet regeneration. Most bioenergy genotypes performed as well, if not better than Tx430, with Rio and PI329311 as the top regenerating lines. Genotypes displayed protocol-dependent, differential phenolic exudation responses, as indicated by medium browning. During the callus induction phase, genotypes prone to medium browning exhibited a response on WU medium which was either equal or greater than on LG medium. Genotype- and protocol-dependent albino plantlet regeneration was also noted, with three of the bioenergy genotypes showing albino plantlet regeneration. Grassl, Rio and Pink Kafir were susceptible to albino plantlet regeneration, with the response strongly associated with the WU protocol. These bioenergy parental genotypes, and their differential responses under two in vitro protocols, provide tools to further explore and assess the role of genetic loci, candidate genes, and allelic variants in the regulation of in vitro responsiveness in sorghum.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Selective Enrichment Coupled with Proteomics to Identify S-Acylated Plasma Membrane Proteins in Arabidopsis

Protein S-acylation, predominately in the form of palmitoylation, is a reversible lipid post-translational modification (PTM) on cysteines that plays important roles in protein localization, trafficking, activity, and complex assembly. The functions and regulatory mechanisms of Sacylation have been extensively studied in mammals, owing to remarkable development of the high-resolution proteomics and the discovery of the S-acylation-related enzymes. However, the advance of S-acylation studies in plants lags farther behind than that in mammals, mainly due to the lack of knowledge about proteins responsible for this process, such as protein acyltransferases (PATs) and their substrates. In this article, a systematic protocol to study global S-acylation in Arabidopsis seedlings is described. The procedures are presented in detail, including preparation of Arabidopsis seedlings, enrichment of plasma membrane (PM) proteins, followed by enrichment of S-acylated proteins/peptides based on the acyl-biotin exchange (ABE) method, and large-scale identification of S-acylated proteins/peptides via mass spectrometry. This approach enables researchers to study S-acylation of PM proteins in plants in a systematic and straightforward way. Basic protocol 1: Preparation of Arabidopsis seedling materials Basic protocol 2: Isolation and enrichment of plasma membrane proteins Support protocol 1: Determination of protein concentration using BCA assay Basic Protocol 3: Enrichment of S-acylated proteins by ABE method Support protocol 2: Protein precipitation by methanol/chloroform method Basic Protocol 4: Trypsin digestion and proteomic analysis Alternate protocol 1: Pre-resin digestion and peptide level enrichment.

S-acylation, palmitoylation, plasma membrane prote↗
DOE OSTI2022

Spin-squeezing-induced enhancement of the sensitivity of an atomic clock using coherent population trapping

The coherent population trapping (CPT) effect is used for making compact atomic clocks. There are two types of CPT clocks: the one in which the Raman beams are applied continuously and the one in which two CPT pulses separated by a dark period are applied (Ramsey scheme). It is obvious that the technique of spin squeezing can only be applied to the Ramsey CPT clock to enhance the sensitivity. However, it is not apparent how to adapt to the CPT clock the protocols for the microwave clock using one-axis-twist squeezing (OATS), since the Ramsey CPT clock is not trivially equivalent to the Ramsey microwave clock. In this paper, we show explicitly how to adapt two protocols using OATS, namely, the Schrödinger cat state protocol (SCSP) and the generalization thereof, and the echo squeezing protocol (ESP), to the CPT clock. The ESP magnifies the phase shift by a factor of N / e , while the SCSP magnifies the phase shift by a factor of N / 2 , making it able to achieve a higher sensitivity in the presence of excess noise.

Li, Jinyang↗
DOE OSTI2025

Impact of Cyber Threat Awareness on Driver Response to an Unexpected Vehicle Cyberattack

Here, the integration of advanced cyber-physical systems in heavy vehicles introduces new vulnerabilities by expanding the possibility of cyberattacks. The objective of this study is to evaluate (1) how threat awareness influences driver response to an unexpected cyberattack, (2) how the provision of a basic cyberattack response protocol influences driver performance, and (3) how professionally trained versus standard drivers compare in their responses to a cyberattack. An on-road driving study (N = 50) was conducted using a medium heavy-duty vehicle. Participants were divided into three groups: Control, which remained unaware of any potential cyberattack; Aware, which was informed about the potential cyberattack; and Aware + Protocol, which received the same warning as the Aware group with the addition of a basic cyberattack response protocol. An instrument cluster cyberattack was executed at the same location for all participants. The findings highlight the essential role of awareness and response protocol in enhancing driver response to an unexpected vehicle cyberattack. The Aware + Protocol group had the highest stop rate (100%) and the shortest stopping distances (224 m for standard drivers and 254 m for professionals), compared to the Control group (828 and 520 m, respectively). Aware + Protocol also had the fastest reaction time, averaging 7.53 s, versus 16.12 s (Aware) and 30.29 s (Control). These results emphasize that awareness alone is insufficient. Providing drivers with clear, actionable protocols significantly improves their ability to react quickly and safely to cyberattacks, enhancing overall road safety.

Cybersecurity↗
DOE OSTI2022

Classically verifiable quantum advantage from a computational Bell test

Existing experimental demonstrations of quantum computational advantage have had the limitation that verifying the correctness of the quantum device requires exponentially costly classical computations. Here we propose and analyse an interactive protocol for demonstrating quantum computational advantage, which is efficiently classically verifiable. Our protocol relies on a class of cryptographic tools called trapdoor claw-free functions. Although this type of function has been applied to quantum advantage protocols before, our protocol employs a surprising connection to Bell’s inequality to avoid the need for a demanding cryptographic property called the adaptive hardcore bit, while maintaining essentially no increase in the quantum circuit complexity and no extra assumptions. Leveraging the relaxed cryptographic requirements of the protocol, we present two trapdoor claw-free function constructions, based on Rabin’s function and the Diffie–Hellman problem, which have not been used in this context before. We also present two independent innovations that improve the efficiency of our implementation and can be applied to other quantum cryptographic protocols. First, we give a scheme to discard so-called garbage bits, removing the need for reversibility in the quantum circuits. Second, we show a natural way of performing postselection that reduces the fidelity needed to demonstrate quantum advantage. Combining these results, we describe a blueprint for implementing our protocol on Rydberg atom-based quantum devices, using hardware-native operations that have already been demonstrated experimentally.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Constant Overhead Entanglement Distillation via Scrambling

High-fidelity quantum entanglement enables key quantum networking capabilities such as secure communication and distributed quantum computing, but long-distance entanglement distribution is limited by noise and loss. Entanglement distillation protocols address this problem by extracting high-fidelity Bell pairs from multiple noisy ones. The primary objective is minimizing the resource overhead: the number of noisy input pairs needed to distill each high-fidelity output pair. While protocols achieving optimal overhead are known in theory, they often require complex decoding operations that make practical implementation challenging. We circumvent this challenge by introducing protocols that use quantum scrambling—the spreading of quantum information under chaotic dynamics—through random Clifford operations. Based on this scrambling mechanism, our protocol maintains asymptotically constant overhead, independent of the desired output error rate $\bar{𝜖}$ , and can be implemented with shallow quantum circuits of depth 𝑂⁡(poly log log⁡ $\bar{𝜖}$ −1 ) and memory 𝑂⁡(poly log⁡ $\bar{𝜖}$ −1 ). Our protocol remains effective even with noisy quantum gates. By incorporating error correction, our protocol achieves state-of-the-art performance: starting with pairs of 10% initial infidelity, we require only seven noisy inputs per output pair to distill a single Bell pair with infidelity $\bar{𝜖}$ =10 −12 , substantially outperforming existing schemes. We demonstrate the utility of our protocols for quantum repeater networks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Faster Randomized Dynamical Decoupling

We present a randomized dynamical decoupling (DD) protocol that can substantially improve the performance of any given deterministic DD scheme for suppressing coherent noise by using no more than two additional pulses. Our construction is implemented by probabilistically applying sequences of pulses, which, when combined, effectively eliminate the error terms that scale linearly with the system-environment coupling strength. As a result, we show that a randomized protocol using a few pulses can outperform deterministic DD protocols that require considerably more pulses. Furthermore, we prove that the randomized protocol provides an improvement compared to deterministic DD sequences that aim to reduce the error in the system’s Hilbert space, such as Uhrig DD, which had been previously regarded to be optimal. To rigorously evaluate the performance, we introduce new analytical methods suitable for analyzing higher-order DD protocols that might be of independent interest. Here, we also present numerical simulations confirming the significant advantage of using randomized protocols compared to widely used deterministic protocols.

Quantum algorithms & computation↗
DOE OSTI2022

Modular automated bottom-up proteomic sample preparation for high-throughput applications

Manual proteomic sample preparation methods limit sample throughput and often lead to poor data quality when thousands of samples must be analyzed. Automated liquid handler systems are increasingly used to overcome these issues for many of the sample preparation steps. Here, we detail a step-by-step protocol to prepare samples for bottom-up proteomic analysis for Gram-negative bacterial and fungal cells. The full modular protocol consists of three optimized protocols to: (A) lyse Gram-negative bacteria and fungal cells; (B) quantify the amount of protein extracted; and (C) normalize the amount of protein and set up tryptic digestion. These protocols have been developed to facilitate rapid, low variance sample preparation of hundreds of samples, be easily implemented on widely-available Beckman-Coulter Biomek automated liquid handlers, and allow flexibility for future protocol development. By using this workflow 50 micrograms of protein from 96 samples can be prepared for tryptic digestion in under an hour. We validate these protocols by analyzing 47 Pseudomonas putida and Rhodosporidium toruloides samples and show that this modular workflow provides robust, reproducible proteomic samples for high-throughput applications. The expected results from these protocols are 94 peptide samples from Gram-negative bacterial and fungal cells prepared for bottom-up quantitative proteomic analysis without the need for desalting column cleanup and with protein relative quantity variance (CV%) below 15%.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Alkaline-SDS cell lysis of microbes with acetone protein precipitation for proteomic sample preparation in 96-well plate format

Plate-based proteomic sample preparation offers a solution to the large sample throughput demands in the biotechnology field where hundreds or thousands of engineered microbes are constructed for testing is routine. Meanwhile, sample preparation methods that work efficiently on broader microbial groups are desirable for new applications of proteomics in other fields, such as microbial communities. Here, we detail a step-by-step protocol that consists of cell lysis in an alkaline chemical buffer (NaOH/SDS) followed by protein precipitation with high-ionic strength acetone in 96-well format. The protocol works for a broad range of microbes ( e . g ., Gram-negative bacteria, Gram-positive bacteria, non-filamentous fungi) and the resulting proteins are ready for tryptic digestion for bottom-up quantitative proteomic analysis without the need for desalting column cleanup. The yield of protein using this protocol increases linearly with respect to the amount of starting biomass from 0.5–2.0 OD*mL of cells. By using a bench-top automated liquid dispenser, a cost-effective and environmentally-friendly option to eliminating pipette tips and reducing reagent waste, the protocol takes approximately 30 minutes to extract protein from 96 samples. Tests on mock mixtures showed expected results that the biomass composition structure is in close agreement with the experimental design. Lastly, we applied the protocol for the composition analysis of a synthetic community of environmental isolates grown on two different media. This protocol has been developed to facilitate rapid, low-variance sample preparation of hundreds of samples and allow flexibility for future protocol development.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Building high throughput permissioned blockchain fabrics: challenges and opportunities

Since the introduction of Bitcoin---the first widespread application driven by blockchains---the interest in the design of blockchain-based applications has increased tremendously. At the core of these applications are consensus protocols that securely replicate client requests among all replicas, even if some replicas are Byzantine faulty. Unfortunately, these consensus protocols typically have low throughput, and this lack of performance is often cited as the reason for the slow wider adoption of blockchain technology. Consequently, many works focus on designing more efficient consensus protocols to increase throughput of consensus. We believe that this focus on consensus protocols only explains part of the story. To investigate this belief, we raise a simple question: Can a well-crafted system using a classical consensus protocol outperform systems using modern protocols? In this tutorial, we answer this question by diving deep into the design of blockchain systems. Further, we take an in-depth look at the theory behind consensus, which can help users select the protocol that best-fits their requirements. Finally, we share our vision of high-throughput blockchain systems that operate at large scales.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Oak Ridge National Laboratory Pilot Demonstration of an Attestation and Anomaly Detection Framework using Distributed Ledger Technology for Power Grid Infrastructure

This report summarizes the design and pilot demonstration of a framework called Grid Guard that was created to provide increased data and device trustworthiness to electric grid devices by leveraging distributed ledger technology (DLT), specifically blockchain. Grid Guard contains a combination of core cryptographic methods such as the secure hash algorithm (SHA), and asymmetric cryptography, private permissioned blockchain, baselining configuration data, consensus algorithm (Raft) and the Hyperledger Fabric (HLF) framework. The system implements a low energy, fast, and robust enhancement to system trustworthiness within and across electric grid systems such as substations, control centers and metering infrastructures. Blockchain is a distributed database structured that provides a practically unalterable (immutable) timeline of stored transactions. By relying on hashing and the Raft consensus algorithm, if an entity tries to illegitimately alter a record at one instance of the database the other ledger nodes are not altered. They work to cross-reference each other and easily locate any incorrectly added data and remove it. The bulk raw data is stored in an off-chain storage (outside of the blockchain ledger) and a hash of this baseline data is stored in the Blockchain ledger via hashing windows of time-series and configuration data, after aggregation and filtering. The bulk off-chain data repository is then considered to be trust-anchored using the hashes stored in the blockchain. To secure the electric grid testbed devices and data, device configuration baselines were compared to those baselines that had been previously stored in the ledger. Statistical baselines for device configurations, network communication patterns, and high-speed sensor data are calculated and then stored off-chain and hashes stored in the ledger. Measurements such as three-phase voltage and current, frequency, breaker status, protection scheme settings, network configuration settings (and other device configuration artifacts) and network traffic features (packet interarrival times) are compared every minute or other selected time windows. During phase 1 of the Grid Guard DLT project different DLT technologies were studies, and an assessment was performed on DLT technology vulnerabilities, uses, and key characteristics. DLT consensus protocols were studies (e.g., RAFT, named after Reliable, Replicated, Redundant, And Fault-Tolerant). Also, cryptography, public, private and permissioned or permissionless systems were assessed. Grid Guard implements a permissioned private DLT. Consensus algorithm selection and choice of DLT implementation depended heavily on the use-case. For this use-case, parameters were selected to measure performance and existing tools for assessment. Benchmarking was performed theoretically and practically. During phase 2 hashed transactions/blocks were inserted into the ledger every second. During phase 2 of the Grid Guard DLT project, a prototype framework was developed and demonstrated for attestation of critical substation devices and data using precision timing systems that use PTP and IRIG-B protocols) on a testbed of operational devices that emulated a distribution substation, control center, and power metering infrastructure using real Operational Technology (OT). The testbed includes OT devices such as protective relays, human machine interfaces (HMI), and power meters. To determine when to collect and compare system and network baselines, an initial examination of an anomaly detection capability to identify malicious manipulation of data streams was conducted. The resulting anomaly detection was demonstrated in a set of experiments and leveraged to trigger device artifact attestation checks. Attestation checks occur against device configuration baselines when compared with the immutable blockchain-stored baselines, which provided a cryptographically supported means by which to store baselines. The electrical substation-grid testbed was created to test the Grid Guard framework. The testbed emulates the operations of a portion of a power grid and SCADA systems as closely as possible. The testbed integrates real protocols, mainly IEC 61850 standard protocols, such as the Sampled Value (SV) and the GOOSE protocols. The testbed also supports DNP3 and other layer 2 and layer 3 protocols such as Telnet, SSH, SFTP/FTP and other proprietary protocols needed to connect to industrial control system equipment. The testbed emulates real power conditions using the OpalRT hardware-in-the-loop (HIL) device which can create fault situations that cannot be easily tested on real systems. The electrical substation-grid testbed was created using real measurement, communication, and protection devices that electrical utilities commonly use.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Electric Utility Industry Standards Landscape

The electric utility industry relies on robust communication protocols to manage complex electrical grid data. The inherent networked nature of electrical grids, coupled with the radial structure of the “last mile” portion delivering power to end-use customers, presents difficulties in describing electrical models using simple data constructs. The paper provides an overview of communication protocols that address electric utility data, including grid data, and classifies these protocols through identification key characteristics that make them suitable for different electric grid data domains. Because of their variety, grid edge devices and their associated dedicated protocols are assessed by groups: those primarily designed for energy production and storage, those related to flexible loads, and those related to electric vehicles. The intent of this report is to provide guidance for stakeholders to navigate the challenges posed by the numerous overlapping protocols available to address electric grid data. Although further industry review, refinement, and validation of the categorization of these protocols is recommended, the authors propose this categorization as a start to improve electric grid awareness and understanding. In addition, this report includes three recommended industry actions regarding protocols to improve communications on the electric grid.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Modbus RTU for Embedded Cyber Secure Inverter Controller

The Modbus communication protocol is a widely adopted communication standard in industrial control systems. This communication protocol is known for being reliable and straightforward to implement while being versatile in terms of its operating parameters while supporting multiple formats over various hardware infrastructures and architectures. Many intelligent devices such as Programmable Logic Controllers (PLCs), Human-Machine Interfaces (HMIs), Internet-of-Things (IoT), and various Operational Technologies (OT) utilize Modbus for their communication systems. These types of systems must communicate with each other through a standardized and central communication process. To support the integration of these modular systems, a Field-Programmable Gate Array (FPGA) can act as an embedded central routing fabric for this communication to take place. Embedded systems are versatile enough to interface with various devices and systems to accomplish various goals. Additionally, embedded systems require relatively small physical designs to minimize the required resources to facilitate the intended application by providing low-level system access. This minimization of system resources goes hand in hand with reducing the financial cost of a proposed solution or system. As remotely collaborating researchers often use FPGAs to prototype designs that are required to have a method for data transmission among systems, it is imperative to provide a baseline standard for communications among devices and systems. A typical method of implementing the Modbus RTU communication protocol in an embedded environment is using integrated logic architectures within the FPGA called “Intellectual Property (IP) cores.” IP cores can be designed using integrated logic or circuit designs to function as an embedded processor. These IP cores can then perform the required computational actions to support the Modbus RTU communication protocol by utilizing high-level programming languages such as the C programming language. The hardware description language of Very High-Speed Integrated Circuit Hardware Description Language (VHDL) allows for the control of real hardware at the logic gate and signal level. These logic gates and signals can be designed and controlled to perform desired actions based on the system design. Programming an FPGA using VHDL allows an individual to access the lowest abstraction level of the system during FPGA development. This level of abstraction is referred to as the register-transfer level (RTL), which gives access to manipulating values and variables at the register level. This register-level manipulation provides precision over creating the logical circuit within the FPGA, thus minimizing the required code to perform desired operations. The Modbus RTU communication protocol can be implemented within an FPGA using VHDL programming to establish a standardized and embedded serial communication pathway. This implementation provides a standardized communication protocol to streamline research efforts among researchers, thus increasing the efficiency of research efforts. Additionally, this Modbus RTU implementation requires fewer resources when compared to typical communication protocol implementations that utilize an IP core, reducing the hardware requirement for effective research efforts.

communication↗
DOE OSTI2025

Assessment of Heavy-Duty Fueling Methods and Components-Modeling and Analysis

The goal of the Assessment of Heavy-Duty Fueling Methods and Components project was to comprehensively assess heavy-duty (HD) fuel cell electric vehicle fueling protocols and their effects on techno-economic assessments (TEA) and total cost of ownership (TCO). The project leveraged and built upon ongoing international HD fueling protocols and fueling component development activities to deliver component performance assessments, modeling tools and methods evaluations, TEA of industry-selected protocol structures, and experimental validations of the strategies at the station scale. The effects of the protocols on the fueling times, station costs, and TCO were explored. Fueling time, which was influenced by temperature and protocol selection, had a large impact on the station cost due to component sizing and satisfying hourly demand. As the fleet size increased, the station cost was shown to exponentially decrease by achieving economies of scale. Technology year and fuel economy were the largest contributors to the TCO; however, the choice of fueling protocol had a minor impact on the TCO.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Distributed quantum sensing enhanced by continuous-variable error correction

Abstract A distributed sensing protocol uses a network of local sensing nodes to estimate a global feature of the network, such as a weighted average of locally detectable parameters. In the noiseless case, continuous-variable (CV) multipartite entanglement shared by the nodes can improve the precision of parameter estimation relative to the precision attainable by a network without shared entanglement; for an entangled protocol, the root mean square estimation error scales like 1/ M with the number M of sensing nodes, the so-called Heisenberg scaling, while for protocols without entanglement, the error scales like 1 / M . However, in the presence of loss and other noise sources, although multipartite entanglement still has some advantages for sensing displacements and phases, the scaling of the precision with M is less favorable. In this paper, we show that using CV error correction codes can enhance the robustness of sensing protocols against imperfections and reinstate Heisenberg scaling up to moderate values of M . Furthermore, while previous distributed sensing protocols could measure only a single quadrature, we construct a protocol in which both quadratures can be sensed simultaneously. Our work demonstrates the value of CV error correction codes in realistic sensing scenarios.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

An Intelligent Distributed Ledger Construction Algorithm for IoT

Blockchain is the next generation of secure data management that creates near-immutable decentralized storage. Secure cryptography created a niche for blockchain to provide alternatives to well-known security compromises. However, design bottlenecks with traditional blockchain data structures scale poorly with increased network usage and are extremely computation-intensive. This made the technology difficult to combine with limited devices, like those in Internet of Things networks. In protocols like IOTA, replacement of blockchain's linked-list queue processing with a lightweight dynamic ledger showed remarkable throughput performance increase. However, current stochastic algorithms for ledger construction suffer distinct trade-offs between efficiency and security. This work proposed a machine-learning approach with a multi-arm bandit that resolved these issues and was designed for auditing on limited devices. This algorithm was tested in a reinforcement-learning environment simulating the IOTA ledger's construction with a decision tree. This study showed through regret analysis and experimentation that this approach was secure against impulse manipulation attacks while remaining energy-efficient. Although the IOTA protocol was a pioneer for lightweight distributed ledgers, it is expected that future blockchain protocols will adopt techniques similar to those presented in this work.

multi-arm bandit↗
DOE OSTI2022

Mooring Load Monitoring of a Wave Energy Converter Using a Self-Synchronizing Underwater Acoustic Network

A self-synchronizing underwater acoustic network, designed for remote monitoring of mooring loads in Wave Energy Converters (WEC), has been developed and tested. This network uses Time Division Multiple Access and operates self-contained with the ability for users to remotely transmit commands to the network as needed. Each node is a self-contained unit, consisting of a protocol adaptor board, an underwater acoustic modem and a battery pack. A node can be connected to a load cell, to a topside user or to the WEC. Every node is swapable. The protocol adaptor board, named Protocol Adaptor for Digital LOad Cell (PADLOC) supports a variety of digital load cell message formats (CAN, MODBUS, custom ASCII) and underwater acoustic modem serial formats. PADLOC enables topside users to connect to separate load cells through a user-specific command.

acoustic↗
DOE OSTI2021

Predicting nepheline precipitation in waste glasses using ternary submixture model and machine learning

Nepheline precipitation in nuclear waste glasses during vitrification can be detrimental due to its negative effect on chemical durability. Developing models to accurately predict nepheline precipitation from compositions is important to increase waste loading since existing models can be overly conservative. In this study, an expanded dataset containing 955 glasses was compiled from literature data, where 355 glasses are for high-level waste (HLW). Previously developed submixture models were refitted using the new dataset, where a misclassification rate of 7.8% was achieved. Nine machine learning (ML) algorithms (e.g., k-nearest neighbor, Gaussian process regression, artificial neural network, support vector machine, decision tree, etc.) were applied to evaluate their ability of predicting nepheline precipitation from compositions. Model accuracy, precision, recall/sensitivity, and F1 score were systemically compared between different ML algorithms and modeling protocols. Good model prediction with an accuracy ~0.9 (misclassification rate of ~10%) was observed with different algorithms under certain protocol. This study evaluated various ML models to predict nepheline precipitations in waste glasses, highlighting the importance of data preparation, modeling protocol, and their effect on model stability and reproducibility. The results provide insights into applying ML to predict glass properties and suggest areas for future research on modeling nepheline precipitations.

Lu, Xiaonan↗