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On Simulating the Formation of Structured, Crystalline Systems via Non-classical Pathways

Observations in crystal growth and assembly from recent in situ methods suggest alternative, non-classical crystallization pathways play an important role in the determination of the micro- and meso- structures in crystalline systems. These processes display parallels that cross-cut multiple disciplines investigating crystallization across four orders of magnitude in size scales and widely differing environments, hinting that alternative crystal growth pathways may be a fundamental scheme in natural crystal formation. Using a system of short-range attractive microbeads, we demonstrate that the addition of a small concentration of sub-species incommensurate with the lattice spacing of the dominant species results in a stark change in crystal size and morphology. These changes are attributed to the presence of fleeting, amorphous-like configurations of beads that ultimately change the melting and growth dynamics in preferred directions. From these real-time observations, we hypothesize the amorphous mineral precursors present in biological mineralized tissues undergo similar non-classical crystallization processes resulting in the complex structures found in biomineralization.

36 MATERIALS SCIENCE↗

Production of Medium-Scale Metal Additive Geometry With Hybrid Manufacturing Technology

Oak Ridge National Lab’s (ORNL) Metal Big Area Additive Manufacturing (mBAAM) and Hybrid Manufacturing teams in the Manufacturing Demonstration Facility (MDF) was tasked with developing a part that exceeded 24 inches in length and 100lbs in weight on a laser hotwire welding system. The Mazak VC-500A/5X AM HWD hybrid 5-axis CNC laser hotwire system was leveraged to complete the task. The proposed geometry was manufactured with 410 stainless steel on AISI1018 steel substrate in just over 36 hours of build time. The proposed geometry was sliced and additively manufactured in three segments; the base, and two extrusions measuring 10 inches in length and 14 inches in length. Production of this component demonstrated hybrid capabilities requiring fixed 5-axis rotations to complete geometry that exceeded the defined build volume of the machine. Multiple repairs of the part were conducted in-situ leveraging the additive and subtractive capabilities of the Mazak hybrid system. Significant overbuilding challenges were encountered and manually addressed by leveraging subtractive capabilities of the hybrid system. Future processes are presented for development to reduce overheating of top layers. Final part measurements exceeded 107 lbs. in weight and 24.5 inches in length along the principal axis; the largest and heaviest part created by a hybrid system at the MDF.

Saleeby, Kyle↗

Development of Real-Time Quantitative Safety Evaluation Method for Nuclear Power Plants

Human operators involved with large process control systems such as nuclear power plants (NPPs) perform significant roles in the operation of systems. In this reason, deficiencies in human factors such as poor HSI (Human System Interface) design, procedure, and training, are significant contributing factors to NPPs incidents and accidents. In this regard, many kinds of studies including human reliability analysis (HRA), operation support system, automation, have been conducted in order to reduce human errors. Among these fields of studies, automation has its own specialty since it mainly focuses on eliminating the human error-inducing tasks to reduce human error, while other topics are primarily focusing on reducing human error by aiding human operators during operation. It is commonly believed that replacing human operators to the automated system would guarantee greater efficiency, lower workloads, and fewer human errors. However, these beliefs are not always true in large and complex systems such as NPP, since excessive automation can generate new roles for human operators, change human operators' activities in unexpected ways, and inducing 'out-of-the-loop' (OOTL) problem. Especially, although human error probability drastically increases during abnormal situations in NPP due to overload of information, high workload, and short time available for diagnosis, automation is not actively adopted since conventional machine learning techniques are neither capable nor reliable to handle overwhelmingly complex abnormal situations in NPP. Recently, newly developed 'deep learning' techniques have been actively applied to many fields, and some of these studies proved that the artificial intelligences (AI) based on deep learning techniques show better performance than that of human being. In 2015, deep Q-network (DQN) which is one of the deep learning techniques was developed and applied to train AI that automatically plays various Atari 2800 games, and this AI surpassed the human-level playing in many kind of games. Also in 2016, 'AlphaGo', which was developed by 'Google Deepmind' based on deep learning technique to play the game of Go, was defeated Se-dol Lee who is the World Go champion with score of 4:1. In the point of view that the game of Go is considered as one of the challenging area in machine learning field, it is verified that these new machine learning techniques can perform well, even better than the human being in high-complexity tasks. Previously, most of AI applications in nuclear field were focusing on supporting human operators' tasks such as diagnosis and decision making by rapid classification and prediction, based on fixed training data sets. However, it is expected that AI can be applied to solve more complicated problems (i.e. automation during abnormal states in NPP) by adopting advanced machine learning methodologies. In order to apply the automation system in NPP, firstly it is needed to evaluate the status of the plant quantitatively in real-time, since the information about which state is better (i.e. safe) or worse (i.e. unsafe) is essential for training properly working automation AI. Currently, there are several methodologies for NPP safety evaluation such as probabilistic safety assessment (PSA), safety performance indicator (SPI). However, existing methodologies are not feasible for development of automated system since they are not capable for the cases which are not included in the underlying model, not able to consider delicate changes in the NPP, and hard to evaluate in real-time. Therefore, development of new NPP safety evaluation methodology which can cover previously mentioned requirements is needed to conduct the study on NPP automation further. In this study, the concept of early warning score (EWS) in medical field was adopted to develop the methodology which can evaluate the safety level of the NPP quantitatively and in real-time. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Electric Distribution System Planning with DERs - High-level Assessment of Tools and Methods

This document addresses analytical tools and methods to support electric distribution system planning with distributed energy resources (DERs) and grid modernization, drawing on leading-edge research and examples from around the United States. In this report, tools include computer models and software, as well as other analytical aids and practices that support distribution system planning. At its core, distribution system planning is about supporting investment decisions. Enhanced and integrated distribution system planning allows utilities to move from a passive reactive role to smart proactive planning with respect to DERs. Distribution system planning can increase transparency around utility distribution system investments before they are brought to the regulatory body for cost recovery, can support deferring traditional infrastructure investments, and can provide information and incentives to customers and third parties about where DERs can help the grid. A growing number of states are beginning to consider a comprehensive distribution system planning process that addresses the costs and benefits of DERs, reflects more choices coming from the customer/third-party domains, is integrated with resource and transmission planning, and incorporates planning scenarios that reflect the dynamic and changing nature of the electricity system

24 POWER TRANSMISSION AND DISTRIBUTION↗

Peering into cloud physics using ultra-fine resolution radar and lidar systems

Cloud microphysical processes, such as droplet activation, condensational growth, and collisional growth, play a central role in the evolution of clouds and precipitation. Accurate representations of these processes in numerical models are challenging partially due to incomplete understanding of them at the process-level arising from limited systematic observations. Most surface-based active remote sensors, including today’s operational cloud radars and lidars, have a resolution on the order of tens of meters. This resolution is insufficient to resolve cloud microphysical processes that manifest at finer (meter and sub-meter) scales. A new set of ultra-high-resolution ground-based radar and lidar systems have been developed to address this observational gap. The newly developed 94-GHz cloud radar has a range resolution down to 2.8 m, or a factor of 10 finer than typical radars, using a large bandwidth and quadratic phase coding techniques. The lidar has a range resolution down to 10 cm, or a factor of 100 finer than typical lidars, using a time-gated time-correlated single photon counting technique. Such high-resolution observations were previously only achievable through in situ aircraft measurements. Even then, aircraft measurements do not permit continuous long-term cloud observation as is possible with ground-based remote sensing instruments. In this study, the first-light cloud observations from the new radar and lidar systems are shown to reveal detailed cloud structures that conventional sensors could only perceive in a bulk sense, thus providing new avenues to investigate cloud microphysical processes and their impact on weather and climate.

54 ENVIRONMENTAL SCIENCES↗

Using NJOY to Create MCNP ACE Files and Visualize Nuclear Data

We provide lecture materials that describe the input requirements to create various MCNP ACE files (Fast, Thermal, Dosimetry, Photo-nuclear and Photo-atomic) with the NJOY Nuclear Data Processing code system. Input instructions to visualize nuclear data with NJOY are also provided.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Two-Year Operational Evaluation Of A Consumer Electronics-Based Data Acquisition System For Equipment Monitoring

Oak Ridge National Laboratory (ORNL) has performed a two-year evaluation of the performance of an in-house developed consumer electronics-based data acquisition system (DAS). The main advantage of this approach compared to conventional instrumentation grade systems is cost; instrument grade data acquisition systems average costs range from $800 to $2,000 per channel compared to a range of $200 - $400 per channel for a consumer electronics-based system. The DAS is operated as a full-time in-situ vibration monitor. The resulting data stream is streamed over the ORNL network, at an aggregate rate of approximately 2 megabytes/s, to a Linux server. The server includes the capability to implement event-triggered data stores, as well as real-time files for the implementation of continuous display monitoring of the spectra. Detailed spectral analysis is performed post event. The DAS is installed on a large industrial chiller and cooling water pump associated with ORNL’s Titan supercomputer. These mechanical systems include rotating components that operate at fundamental frequencies within the range of 30 Hz to over 3 KHz. Evaluation of the DAS data over a two-year operating period leads to the conclusion that for many industrial processes this system could form the basis for a cost effective means of obtaining operating health data in real time from rotating machinery. The deployment has also shown that the DAS technology is reliable. Furthermore, because the cost of the DAS is low, the other significant advantage of this approach is that the DAS can be deployed in a dedicated manner and operated on a full-time basis.

Wetherington Jr, G↗

Machine Learning Tools Set for Natural Gas Fuel Cell System Design

This study is focusing on leveraging the system design tools set for the next-generation solid oxide fuel cell (SOFC) based natural gas fuel cell (NGFC) system. Conventionally, system design and optimization of NGFC systems rely heavily on traditional reduced order model (ROM) techniques and designers’ experience level. For overcoming the technical barriers of system design, multiple multi-physics models and machine learning (ML) tools have been utilized to automate the conceptual design process and enhance the reliability of solutions for the NGFC system. The proposed tools set includes a physics-informed ML tool for automated ROM construction that leverages advances in deep neural networks to significantly reduce ROM prediction error for the NGFC power island compared to traditional approaches. The constructed physics-informed ML ROM can be used in system design, and optimization tools set Institute for the Design of Advanced Energy Systems (IDAES) Process Systems Engineering (PSE) framework. The tools set also provides a user-friendly graphic user interface built within Jupyter Notebooks, and the complete tools set is open-source public available.

Wang, Dewei↗

Atomic force microscopy: Emerging illuminated and operando techniques for solar fuel research

Integrated photoelectrochemical devices rely on the synergy between components to efficiently generate sustainable fuels from sunlight. The micro- and/or nanoscale characteristics of the components and their interfaces often control critical processes of the device, such as charge-carrier generation, electron and ion transport, surface potentials, and electrocatalysis. Understanding the spatial properties and structure–property relationships of these components can provide insight into designing scalable and efficient solar fuel components and systems. These processes can be probed ex situ or in situ with nanometer-scale spatial resolution using emerging scanning-probe techniques based on atomic force microscopy (AFM). In this Perspective, we summarize recent developments of AFM-based techniques relevant to solar fuel research. We review recent progress in AFM for (1) steady-state and dynamic light-induced surface photovoltage measurements; (2) nanoelectrical conductive measurements to resolve charge-carrier heterogeneity and junction energetics; (3) operando investigations of morphological changes, as well as surface electrochemical potentials, currents, and photovoltages in liquids. Opportunities for research covered here include: (1) control of ambient conditions for performing AFM measurements; (2) in situ visualization of corrosion and morphological evolution of electrodes; (3) operando AFM techniques to allow nanoscale mapping of local catalytic activities and photo-induced currents and potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Detecting Sensors and Inferring their Relations at Level-0 in Industrial Cyber-Physical Systems

While there exist tools and techniques to discover, identify, map, and analyze cyber physical components at higher levels of the cyber space, there is a lack of capabilities to reach down to the sensors at the bottom-most levels, such as levels 0 and 1 of the Purdue Enterprise Reference Model for cyber-physical systems (CPS). Conventional information technology (IT)-based tools reach as far as the network-side of programmable logic controllers, but are inadequate to access and analyze the physical side of the CPS infrastructure that directly interfaces with the actual physical processes and systems. In this paper, we present our research and development efforts aimed at addressing this gap, by building a system called Deep-cyberia (Deep Cyber-Physical System Interrogation and Analysis) that incorporates algorithms and interfaces aimed at uncovering sensors and computing estimates of correlations among them.

Perumalla, Kalyan↗

Specification of EBR-II Laser Profilometry Data

All laser profilometry data stored in FIPD were originally measured using the element laser profilometer system in HFEF/N. The irradiated fuel elements or pins were scanned by a laser beam to measure the outer diameter with position mapping of the spacer wire. The normal operation and data collection were performed automatically with HFEF/N Data Acquisition and Process Control System (DAPCS). With the digital control system, measured laser profilometry data were recorded in digital form on magnetic tapes, different from the analog contact profilometry data recorded by strip-chart record sheets. Two documents contained most of the important details about laser profilometry measurements. The first one is the operational manual of the laser profilometer (title: Element laser profilometer (ELP) operation and maintenance manual, HFEF/N OMM 4329, DOC. NO. W0171-0149-ES-01). This manual provides: (1) description of laser profilometer including the functions of each component (transceiver, retroreflector, clamping guide, shielding enclosure, electronic controller, etc.); (2) step-by-step guidance for calibrations, operations and measurements; and (3) maintenance procedures and other details of the element laser profilometer. Since first issued on 12/1/1986, several revisions/changes of the manual were developed to update the measurement accuracies and other factors for the laser profilometer system. The second document is a publicly accessible conference article titled “the element laser profilometer system in HFEF/N.” This article summarizes important functions and parameters of the laser profilometer. The range of measurements and the uncertainties reported in the article were consistent with the values reported in the operational manual.

42 ENGINEERING↗

The R-Process Alliance: Abundance Universality among Some Elements at and between the First and Second R-Process Peaks*

Abstract We present new observational benchmarks of rapid neutron-capture process ( r -process) nucleosynthesis for elements at and between the first ( A ∼ 80) and second ( A ∼ 130) peaks. Our analysis is based on archival ultraviolet and optical spectroscopy of eight metal-poor stars with Se ( Z = 34) or Te ( Z = 52) detections, whose r -process enhancement varies by more than a factor of 30 (−0.22 ≤ [Eu/Fe] ≤ +1.32). We calculate ratios among the abundances of Se, Sr through Mo (38 ≤ Z ≤ 42), and Te. These benchmarks may offer a new empirical alternative to the predicted solar system r -process residual pattern. The Te abundances in these stars correlate more closely with the lighter r -process elements than the heavier ones, contradicting and superseding previous findings. The small star-to-star dispersion among the abundances of Se, Sr, Y, Zr, Nb, Mo, and Te (≤0.13 dex, or 26%) matches that observed among the abundances of the lanthanides and third r -process-peak elements. The concept of r -process universality that is recognized among the lanthanide and third-peak elements in r -process-enhanced stars may also apply to Se, Sr, Y, Zr, Nb, Mo, and Te, provided the overall abundances of the lighter r -process elements are scaled independently of the heavier ones. The abundance behavior of the elements Ru through Sn (44 ≤ Z ≤ 50) requires further study. Our results suggest that at least one relatively common source in the early Universe produced a consistent abundance pattern among some elements spanning the first and second r -process peaks.

74 ATOMIC AND MOLECULAR PHYSICS↗

Solar Thermal Energy Planner (STEP 1): A New Decision Support Tool for Solar Industrial Process Heat Applications

Solar thermal technologies are a promising technology to supply low-cost thermal energy to industrial processes, but there are often significant barriers to entry to industrial owners considering these technologies for their energy demands. To overcome this barrier and convey economic value to customers, NREL and Sandia National Laboratories developed Solar Thermal Energy Planner (STEP 1), a new web-based decision support tool for solar industrial process heat systems. At SolarPACES 2024, the STEP 1 tool was still under development; progress, methodologies, and a preliminary case study was presented. With the STEP 1 tool launch in May 2025, in this work, the initial version of the full public tool will be presented with demonstrations of its capabilities using a few case studies. First, the user's process heat needs such as location, process media (e.g., steam, air), process temperature, land availability, electricity and fuel costs, among other parameters. STEP 1 features a mapping interface that allows users to draw land and roof boundaries. The process media and temperature inform technology selection criteria modules that determine the appropriate solar thermal collection technologies, as well as congruent heat transfer media (e.g., hot water, oil, salt). Once the solar thermal technology selected, its nominal thermal production for the given site is characterized using NREL's System Advisor Model (SAM). Then, a modified version of NREL's REopt optimal sizing and dispatch optimization tool determines cost-optimal sizing. Within minutes, the user receives the results of the technoeconomics analysis, including the size and performance of the cost-optimal solar-plus-storage system. The cost of the system is compared to business-as-usual (e.g., an existing, standalone natural gas boiler). Users can download key results to store for sensitivity analyses. Examples of flat plate collector, parabolic trough, and molten salt tower applications with and without PV hybridization for different industrial facility types are presented in this work. The STEP 1 tool aims to reduce barriers to the adoption of solar heating solutions stemming from a lack of familiarity and technical background with solar system design options and costs among industry stakeholders.

14 SOLAR ENERGY↗

BioSecure Digital Twin: Manufacturing Innovation and Cybersecurity Resilience

U.S. national security, prosperity, economy, and well-being require secure, flexible, and resilient Biopharmaceutical Manufacturing. The COVID-19 pandemic reaffirmed that the biomedical production value-chain is vulnerable to disruption and has been under attack from sophisticated nation-state adversaries. Current cyber defenses are inadequate, and the integrity of critical production systems and processes are inherently vulnerable to cyber-attacks, human error, and supply chain disruptions. The following chapter explores how a BioSecure Digital Twin will improve U.S. manufacturing resilience and preparedness to respond to these hazards by significantly improving monitoring, integrity, security, and agility of our manufacturing infrastructure and systems. The BioSecure Digital Twin combines a scalable manufacturing framework with a robust platform for monitoring and control to increase U.S. biopharma manufacturing resilience. Then, the chapter discusses some of the inherent vulnerabilities and challenges at the nexus of health and advanced manufacturing. Next, the chapter highlights that as the Pandemic evolves, we need agility and resilience to overcome significant obstacles. This section highlights an innovative application of Cyber Informed Engineering to developing and deploying a BioSecure Digital Twin to improve the resilience and security of the biopharma industrial supply chain and production processes. Finally, the chapter concludes with a process framework to complement the Digital Twin platform, called the Biopharma (Observe, Orient, Decide, Act) OODA Loop Framework (BOLF), a four-step approach to decision-making outputs from the Digital Twin. The BOLF will help end users leverage twin technology by distilling the available information, focusing the data on context, and rapidly making the best decision while remaining cognizant of changes that can be made as more data becomes available.

99 GENERAL AND MISCELLANEOUS↗

What do we know about soil carbon destabilization?

Abstract Most empirical and modeling research on soil carbon (C) dynamics has focused on those processes that control and promote C stabilization. However, we lack a strong, generalizable understanding of the mechanisms through which soil organic carbon (SOC) is destabilized in soils. Yet a clear understanding of C destabilization processes in soil is needed to quantify the feedbacks of the soil C cycle to the Earth system. Destabilization includes processes that occur along a spectrum through which SOC shifts from a ‘protected’ state to an ‘available’ state to microbial cells where it can be mineralized to gaseous forms or to soluble forms that are then lost from the soil system. These processes fall into three general categories: (1) release from physical occlusion through processes such as tillage, bioturbation, or freeze-thaw and wetting-drying cycles; (2) C desorption from soil solids and colloids; and (3) increased C metabolism. Many processes that stabilize soil C can also destabilize C, and C gain or loss depends on the balance between competing reactions. For example, earthworms may both destabilize C through aggregate destruction, but may also create new aggregates and redistribute C into mineral horizon. Similarly, mycorrhizae and roots form new soil C but may also destabilize old soil C through priming and promoting microbial mining; labile C inputs cause C stabilization through increased carbon use efficiency or may fuel priming. Changes to the soil environment that affect the solubility of minerals or change the relative surfaces charges of minerals can destabilize SOC, including increased pH or in the reductive dissolution of Fe-bearing minerals. By considering these different physical, chemical, and biological controls as processes that contribute to soil C destabilization, we can develop thoughtful new hypotheses about the persistence and vulnerability of C in soils and make more accurate and robust predictions of soil C cycling in a changing environment.

54 ENVIRONMENTAL SCIENCES↗

From Plastic Waste to Fuel: Pyrolysis and Gasification of Polyethylene for Hydrogen Production

Thermochemical conversion processes offer promising solutions to address the plastic pollution crisis by transforming plastic waste into valuable products, notably hydrogen. In this study, thermal pyrolysis and steam gasification of polyethylene (PE), the most abundantly produced plastic waste, are investigated in a drop tube reactor system. Various process parameters, namely temperature, residence time, and feedstock composition, are evaluated to establish their correlations with reaction performance. Coal refuse, obtained from discarded thickener underflow in coal processing, is introduced as a co-feedstock for gasification to enhance PE handling and examine synergistic effects on product distribution, particularly H2 yield and syngas quality. Furthermore, the potential of low-cost, environmentally friendly catalysts (i.e., iron oxides, coal ash) for tar reforming is explored.

Natesakhawat, Sittichai↗

Pool boiling on metal-foam enhanced tube bundle: heat transfer characteristics and flow visualization

A flooded evaporator configuration is common in large central air conditioning or process cooling systems. It is basically a shell and tube heat exchanger, in which a secondary fluid (brine or water) circulates inside the tube bundle and is cooled by the vaporization of the refrigerant on the outside surface of the tubes. The enhanced pool boiling process enables the compact design of flooded evaporators, which substantially reduces the refrigerant charge. High-porosity metal foam, with a large surface-area-to-volume ratio, could provide an extended heat transfer area and a high-density of nucleation sites. This study experimentally investigated the pool boiling heat transfer and flow characteristics on metal-foam enhanced tube bundles. The enhanced bundle consists of four aluminum tubes with aluminum foam brazed around the outer surface, which are horizontally mounted in a staggered arrangement. The results showed that the metal-foam enhanced tube bundles improved the heat transfer coefficient by 100-160% with a lower wall temperature difference of 1-10°C, compared to the baseline. In addition, the tube pitch played a significant role in determining the pool boiling behavior of the tube bundles.

Yang, Cheng-Min↗

Integrated emergency control board including design extended conditions for Krsko NPP - 297

In the aim of implementing post-Fukushima safety measures, Krsko Nuclear Power Plant is developing a Safety Upgrade Program. Krsko NPP is upgrading the remote shutdown capabilities and implementing ways to prevent and mitigate the consequences of potential Severe Accidents. This modification enhances remote shutdown capabilities of the plant to prevent potential severe accidents and improve the ways to mitigate their consequences. Within the set of plant design modifications, addressed the design, construction, and commissioning, of a new Emergency Control Room (EMCB. Tecnatom is the responsible of the design modification of the plant together with Idom, that participates with Tecnatom in the project as a joint venture, who provides a new set of field instrumentation, including its design and the corresponding wiring. EMCB integrates Human- System Interface throughout centralizing capabilities to safety shutdown and cooldown the plant as well as to control the new Design Extension Systems. The process relies on a Human Factors Engineering (HFE) analysis applying a specific methodology based on NUREG-0711 . Tecnatom has developed a specific HFE Program Management Plan to proceed with the analysis in a documented, traceable and reliable way. HFE activities ends with an Integrated System Validation in the actual full scope simulator involving MCR crews. This paper describes different phases of the project, the integrated schedule between HFE and I and C activities, benefits of upgrading main and emergency control rooms beyond design bases and addresses Tecnatom lessons learned obtained during the project execution. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗