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At least 199 records · Page 11

Generative AI for design of nanoporous materials: review and future prospects

Generative artificial intelligence (AI) is emerging as a powerful tool for advancing the design of nanoporous materials such as metal–organic frameworks, covalent–organic frameworks, and zeolites. These materials have potential application in important areas such as carbon capture, catalysis, gas storage, chemical separation, and drug delivery due to their modular, tunable structures, and their performance in these areas depends on precise control over their structure, chemical functionalities, and properties. Herein, we provide a review of generative AI algorithms that are emerging as powerful tools for the design of nanoporous materials, namely generative adversarial networks, variational autoencoders, diffusion models, genetic algorithms, reinforcement learning, and large language models. Some models are particularly good at generating diverse and high-quality designs, while others excel at exploring large design spaces or optimizing materials with desired properties. Certain algorithms also allow for efficient transitions between different designs, and some offer versatility in generating materials based on textual input. We discuss the advantages, limitations, and applications of these algorithms in porous material design and emphasize the future potential of integrating AI with experimental workflows to accelerate the development and validation of AI-generated materials.

36 MATERIALS SCIENCE↗

Extension of Alvis compiler front-end

Alvis is a formal modelling language that enables possibility of verification of distributed concurrent systems. An Alvis model semantics finds expression in an LTS graph (labelled transition system). Execution of any language statement is expressed as a transition between formally defined states of such a model. An LTS graph is generated using a middle-stage Haskell representation of an Alvis model. Moreover, Haskell is used as a part of the Alvis language and is used to define parameters’ types and operations on them. Thanks to the compiler’s modular construction many aspects of compilation of an Alvis model may be modified. Providing new plugins for Alvis Compiler that support languages like Java or C makes possible using these languages as a part of Alvis instead of Haskell. The paper presents the compiler internal model and describes how the default specification language can be altered by new plugins.

97 MATHEMATICS AND COMPUTING↗

Cosmic-ray propagation with DRAGON2: I. numerical solver and astrophysical ingredients

We present version 2 of the DRAGON code designed for computing realistic predictions of the CR densities in the Galaxy. The code numerically solves the interstellar CR transport equation (including inhomogeneous and anisotropic diffusion, either in space and momentum, advective transport and energy losses), under realistic conditions. The new version includes an updated numerical solver and several models for the astrophysical ingredients involved in the transport equation. Improvements in the accuracy of the numerical solution are proved against analytical solutions and in reference diffusion scenarios. The novel features implemented in the code allow to simulate the diverse scenarios proposed to reproduce the most recent measurements of local and diffuse CR fluxes, going beyond the limitations of the homogeneous galactic transport paradigm. To this end, several applications using DRAGON2 are presented as well. This new version facilitates the users to include their own physical models by means of a modular C++ structure.

79 ASTRONOMY AND ASTROPHYSICS↗

Abiotic Stress Reorganizes Rhizosphere and Endosphere Network Structure of Sorghum bicolor

Sorghum bicolor is a promising bioenergy feedstock with high biomass production and unusual tolerance for stresses, such as water and nutrient limitation. Although the membership of the sorghum microbiome in response to stress has been explored, relatively little is known about how microbe–microbe networks change under water- or nutrient-limited conditions. This is important because network changes can indicate impacts on the functionality and stability of microbial communities. We performed network-based analysis on the core bacterial and archaeal community of an agronomically promising high biomass bioenergy genotype, Grassl, grown under nitrogen and water stress. Stress caused relatively minor changes in bacterial abundances within soil, rhizosphere, and endosphere communities but led to significant changes in bacterial network structure and modularity. We found a complete reorganization of network roles in all plant compartments, as well as an increase in the modularity and proportion of positive associations, which potentially could represent coexistence and cooperation in the sorghum bacterial/archaeal community under stress. Although stressors are often believed to be destabilizing, we found stressed networks were as or more stable than non-stressed networks, likely due to their redundancy and compartmentalization. Together, these findings support the idea that both sorghum and its bacterial/archaeal community can be resilient to future environmental stressors.

09 BIOMASS FUELS↗

3D Modeling Engine Representation Summary Report

Computers have been used for 3D modeling and simulation, but only recently have computational resources been able to give realistic results in a reasonable time frame for large complex models. This summary report addressed the methods, techniques, and resources used to develop a 3D modeling engine to represent risk analysis simulation for advanced small modular reactor structures and components. The simulations done for this evaluation were focused on external events, specifically tsunami floods, for a hypothetical nuclear power facility on a coastline.

3D Modeling↗

Local-Level Prognostics Health Management Systems Framework for Passive AdvSMR Components. Interim Report

This report describes research results to date in support of the integration and demonstration of diagnostics technologies for prototypical AdvSMR passive components (to establish condition indices for monitoring) with model-based prognostics methods. The focus of the PHM methodology and algorithm development in this study is at the localized scale. Multiple localized measurements of material condition (using advanced nondestructive measurement methods), along with available measurements of the stressor environment, enhance the performance of localized diagnostics and prognostics of passive AdvSMR components and systems.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Thermal-Hydraulic Analysis of an Experimental Reactor Cavity Cooling System with Air. Part I: Experiments; Part II: Separate Effects Tests and Modeling

This experimental study investigates the thermal hydraulic behavior and the heat removal performance for a scaled Reactor Cavity Cooling System (RCCS) with air. A quarter-scale RCCS facility was designed and built based on a full-scale General Atomics (GA) RCCS design concept for the Modular High Temperature Gas Reactor (MHTGR). The GA RCCS is a passive cooling system that draws in air to use as the cooling fluid to remove heat radiated from the reactor pressure vessel to the air-cooled riser tubes and discharged the heated air into the atmosphere. Scaling laws were used to preserve key aspects and to maintain similarity. The scaled air RCCS facility at UW-Madison is a quarter-scale reduced length experiment housing six riser ducts that represent a 9.5° sector slice of the full-scale GA air RCCS concept. Radiant heaters were used to simulate the heat radiation from the reactor pressure vessel. The maximum power that can be achieved with the radiant heaters is 40 kW with a peak heat flux of 25 kW per meter squared. The quarter-scale RCCS was run under different heat loading cases and operated successfully. Instabilities were observed in some experiments in which one of the two exhaust ducts experienced a flow reversal for a period of time. The data and analysis presented show that the RCCS has promising potential to be a decay heat removal system during an accident scenario.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

In-situ Condition Monitoring of Components in Small Modular Reactors Using Process and Electrical Signature Analysis. Final report, volume 1. Development of experimental flow control loop, data analysis and plant monitoring

The research and development under this project was focused on the following three major objectives: Objective 1: Identification of critical in-vessel SMR components for remote monitoring and development of their low-order dynamic models, along with a simulation model of an integral pressurized water reactor (iPWR). Objective 2: Development of an experimental flow control loop with motor-driven valves and pumps, incorporating data acquisition and on-line monitoring interface. Objective 3: Development of stationary and transient signal processing methods for electrical signatures, machinery vibration, and for characterizing process variables for equipment monitoring. This objective includes the development of a data analysis toolbox. The following is a summary of the technical accomplishments under this project: - A detailed literature review of various SMR types and electrical signature analysis of motor-driven systems was completed. A bibliography of literature is provided at the end of this report. Assistance was provided by ORNL in identifying some key references. - A review of literature on pump-motor modeling and digital signal processing methods was performed. - An existing flow control loop was upgraded with new instrumentation, data acquisition hardware and software. The upgrading of the experimental loop included the installation of a new submersible pump driven by a three-phase induction motor. All the sensors were calibrated before full-scale experimental runs were performed. - MATLAB-Simulink model of a three-phase induction motor and pump system was completed. The model was used to simulate normal operation and fault conditions in the motor-pump system, and to identify changes in the electrical signatures. - A simulation model of an integral PWR (iPWR) was updated and the MATLAB-Simulink model was validated for known transients. The pump-motor model was interfaced with the iPWR model for testing the impact of primary flow perturbations (upsets) on plant parameters and the pump electrical signatures. Additionally, the reactor simulation is being used to generate normal operation data and data with instrumentation faults and process anomalies. A frequency controller was interfaced with the motor power supply in order to vary the electrical supply frequency. The experimental flow control loop was used to generate operational data under varying motor performance characteristics. Coolant leakage events were simulated by varying the bypass loop flow rate. The accuracy of motor power calculation was improved by incorporating the power factor, computed from motor current and voltage in each phase of the induction motor.- A variety of experimental runs were made for steady-state and transient pump operating conditions. Process, vibration, and electrical signatures were measured using a submersible pump with variable supply frequency. High correlation was seen between motor current and pump discharge pressure signal; similar high correlation was exhibited between pump motor power and flow rate. Wide-band analysis indicated high coherence (in the frequency domain) between motor current and vibration signals. - Wide-band operational data from a PWR were acquired from AMS Corporation and used to develop time-series models, and to estimate signal spectrum and sensor time constant. All the data were from different pressure transmitters in the system, including primary and secondary loops. These signals were pre-processed using the wavelet transform for filtering both low-frequency and high-frequency bands. This technique of signal pre-processing provides minimum distortion of the data, and results in a more optimal estimation of time constants of plant sensors using time-series modeling techniques.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Status Update of the Majorana Demonstrator Neutrinoless Double Beta Decay Experiment

Neutrinoless double beta decay searches play a major role in determining neutrino properties, in particular the Majorana or Dirac nature of the neutrino and the absolute scale of the neutrino mass. The consequences of these searches go beyond neutrino physics, with implications for Grand Unification and leptogenesis. The Majorana Collaboration is assembling a low-background array of high purity Germanium (HPGe) detectors to search for neutrinoless double-beta decay in 76 Ge. The Majorana Demonstrator, which is currently being constructed and commissioned at the Sanford Underground Research Facility in Lead, South Dakota, will contain 44 kg (30 kg enriched in 76 Ge) of HPGe detectors. Its primary goal is to demonstrate the scalability and background required for a tonne-scale Ge experiment. This is accomplished via a modular design and projected background of less than 3 cnts/tonne-yr in the region of interest. The experiment is currently taking data with the first of its enriched detectors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Advanced Reactor Technology -- Regulatory Technology Development Plan (RTDP)

This DOE-NE Advanced Small Modular Reactor (AdvSMR) regulatory technology development plan (RTDP) will link critical DOE nuclear reactor technology development programs to important regulatory and policy-related issues likely to impact a “critical path” for establishing a viable commercial AdvSMR presence in the domestic energy market. Accordingly, the regulatory considerations that are set forth in the AdvSMR RTDP will not be limited to any one particular type or subset of advanced reactor technology(s) but rather broadly consider potential regulatory approaches and the licensing implications that accompany all DOE-sponsored research and technology development activity that deal with commercial non-light water reactors. However, it is also important to remember that certain “minimum” levels of design and safety approach knowledge concerning these technology(s) must be defined and available to an extent that supports appropriate pre-licensing regulatory analysis within the RTDP. Final resolution to advanced reactor licensing issues is most often predicated on the detailed design information and specific safety approach as documented in a facility license application and submitted for licensing review. Because the AdvSMR RTDP is focused on identifying and assessing the potential regulatory implications of DOE-sponsored reactor technology research very early in the pre-license application development phase, the information necessary to support a comprehensive regulatory analysis of a new reactor technology, and the resolution of resulting issues, will generally not be available. As such, the regulatory considerations documented in the RTDP should be considered an initial “first step” in the licensing process which will continue until a license is issued to build and operate the said nuclear facility. Because a facility license application relies heavily on the data and information generated by technology development studies, the anticipated regulatory importance of key DOE reactor research initiatives should be assessed early in the technology development process. Quality assurance requirements supportive of later licensing activities must also be attached to important research activities to ensure resulting data is usable in that context. Early regulatory analysis and licensing approach planning thus provides a significant benefit to the formulation of research plans and also enables the planning and development of a compatible AdvSMR licensing framework, should significant modification be required.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

The Development of an INL Capability for High Temperature Flow, Heat Transfer, and Thermal Energy Storage with Applications in Advanced Small Modular Reactors, High Temperature Heat Exchangers, Hybrid Energy Systems, and Dynamic Grid Energy Storage C

The overall goal of this project is to support Idaho National Laboratory in developing a new advanced high temperature multi fluid multi loop test facility that is aimed at investigating fluid flow and heat transfer, material corrosion, heat exchanger characteristics and instrumentation performance, among others, for nuclear applications. Specifically, preliminary research has been performed at The Ohio State University in the following areas: 1. A review of fluoride molten salts’ characteristics in thermal, corrosive, and compatibility performances. A recommendation for a salt selection is provided. Material candidates for both molten salt and helium flow loop have been identified. 2. A conceptual facility design that satisfies the multi loop (two coolant loops [i.e., fluoride molten salts and helium]) multi purpose (two operation modes [i.e., forced and natural circulation]) requirements. Schematic models are presented. The thermal hydraulic performances in a preliminary printed circuit heat exchanger (PCHE) design have been estimated. 3. An introduction of computational methods and models for pipe heat loss analysis and cases studies. Recommendations on insulation material selection have been provided. 4. An analysis of pipe pressure rating and sizing. Preliminary recommendations on pipe size selection have been provided. 5. A review of molten fluoride salt preparation and chemistry control. An introduction to the experience from the Molten Salt Reactor Experiment at Oak Ridge National Laboratory has been provided. 6. A review of some instruments and components to be used in the facility. Flowmeters and Grayloc connectors have been included. This report primarily presents the conclusions drawn from the extensive review of literatures in material selections and the facility design progress at the current stage. It provides some useful guidelines in insulation material and pipe size selection, as well as an introductory review of facility process and components.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Initiating Events for Multi-Reactor Plant Sites

Inherent in the design of modular reactors is the increased likelihood of events that initiate at a single reactor affecting another reactor. Because of the increased level of interactions between reactors, it is apparent that the Probabilistic Risk Assessments (PRAs) for modular reactor designs need to specifically address the increased interactions and dependencies.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Update on Small Modular Reactors Dynamic System Modeling Tool: Web Application

Previous reports focused on the development of component and system models as well as end-to-end system models using Modelica and Dymola for two advanced reactor architectures: (1) Advanced Liquid Metal Reactor and (2) fluoride high-temperature reactor (FHR). The focus of this report is the release of the first beta version of the web-based application for model use and collaboration, as well as an update on the FHR model. The web-based application allows novice users to configure end-to-end system models from preconfigured choices to investigate the instrumentation and controls implications of these designs and allows for the collaborative development of individual component models that can be benchmarked against test systems for potential inclusion in the model library. A description of this application is provided along with examples of its use and a listing and discussion of all the models that currently exist in the library.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Enabling Technologies for Ultra-Safe and Secure Modular Nuclear Energy

Sandia National Laboratories and General Atomics are pleased to respond to the Advanced Research Projects Agency-Energy (ARPA-e)’s request for information on innovative developments that may overcome various current reactor-technology limitations. The RFI is particularly interested in innovations that enable ultra-safe and secure modular nuclear energy systems. Our response addresses the specific features for reactor designs called out in the RFI, including a brief assessment of the current state of the technologies that would enable each feature and the methods by which they could be best incorporated into a reactor design.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

ManiPIO - Manipulate Process I/O for Industrial Control Systems

The Manipulate Process Input/Output (IO) (ManiPIO) program allows users to develop custom scripts to execute Industrial Control System (ICS) manipulations. The driving development principles of ManiPIO are modularity and ease of use. Currently the program can utilize the Modbus TCP communication protocol, but its modular programming structure allows other protocols to be quickly and easily implemented. Additional functionality can be added to fit specific user needs, due to the usage of Python classes. The input configuration instructions are human readable and allow the user to create a complex series of control system manipulations.

97 MATHEMATICS AND COMPUTING↗

Development of Scalable Coastal and Offshore Macroalgal Farming

The US DOE/ARPA-E MARINER program funded a four-year project to determine an optimal way to grow kelps in large, nearshore and offshore arrays for the eventual purpose of biofuel production with the goal of keeping the cost below $\$$80 USD per dry metric ton of kelp. This project specifically looked at how Saccharina latissima can be grown in the Gulf of Alaska to reach that goal. There were three major aspects of the research: 1) optimizing nursery production and seeding lines for outplanting, 2) designing an economical, modular outplanting structure and 3) developing methods to efficiently harvest the product. Farm designs were based on catenary structures and the use of spreader bars with variable spacing of grow lines and line types. The spacing of the grow lines makes a difference in the yield. Grow line spacing of ≥1.5m showed about a 50% increase in kg/m. There was no statistical difference in the growth of Saccharina latissima whether in the middle or the outside of the array, but the line type and perhaps line thickness can make a difference in yield. Sagging caused by the weight of the mature fronds resulted in lower growth at depth. Various harvesting approaches for mature kelps were tested by collaborating farmers. One promising innovation is the use of large bags for holding the freshly harvested fronds. Although the weight of the fronds on the growlines causes the lines to sink, the bags packed with the harvested fronds float, allowing for easy loading to the transfer vessel. Another advance in harvesting is a specially built harvest vessel, the Harvest Buddy, allowing a more mechanized and faster way to harvest. A significant aspect of this project was the TTO/T2M. Several different outreach activities were performed by the Alaska Fisheries Development Foundation and GreenWave. A techno-economic assessment (TEA) using our data has pointed to solutions to reach the $\$$80 goal. A second phase of this project involved the co-culture of two different species of kelps. Interest in farming kelps has grown beyond using kelp for food, feed or biofuels. There is considerable interest in generating biomass from seaweed for use in bioplastics and other products that would substitute for petroleum-derived products. For these uses to be viable, large amounts of biomass are needed. Very large kelp farms can be expensive to build and maintain, leading to the need to optimize the biomass per unit area. Although close spacing of growlines can lead to poor growth, a viable approach may be to grow two species of kelps together: one that hangs down and one that is buoyant, growing up. This system would increase the spacing in three dimensions. In Alaska, Saccharina latissima is commonly grown hanging down from longlines. One of the buoyant Alaskan kelps is Nereocystis luetkeana. Because there are commercial uses for wild-harvested Nereocystis in Alaska, we undertook a preliminary trial in Kodiak, Alaska that grew both Saccharina and Nereocystis in the same longline array. Closely spaced lines were seeded the first week of February 2023 and set at 3m below the surface. The arrays were harvested in late June 2023. Despite having 45% fewer grow-lines, the total yield of the Nereocystis on the combined arrays was statistically similar to the Nereocystis only arrays. Total yields were greatest on the combined arrays, followed by the Nereocystis only and Saccharina only arrays. These results may have significance for large scale macroalgal production.

09 BIOMASS FUELS↗