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At least 307 records · Page 17

MatRIS: Addressing the Challenges for Portability and Heterogeneity Using Tasking for Matrix Decomposition (Cholesky)

The ubiquitous in-node heterogeneity of HPC and cloud computing platforms makes software portability and performance optimization extremely challenging. Described here, the MatRIS multilevel math library abstraction framework employs tasking to alleviate these difficulties. MatRIS includes the IRIS task-based runtime on the bottom level and exposes different layers of abstraction to render algorithms architecturally agnostic. MatRIS ensures the decomposition and creation of tasks that represent the necessary encapsulation of the optimized kernels from both vendor and open-source math libraries. Once built, MatRIS can select different combinations of accelerators at runtime, making it portable even on diverse heterogeneous architectures. By leveraging the IRIS runtime’s features for managing heterogeneity, MatRIS deploys algorithms that remove the need to specify orchestration and data transfer. This study describes how the serial task abstraction of a tiled Cholesky factorization is made portable and scalable in the case of multi-device and multi-vendor heterogeneity on a node with NVIDIA and AMD GPUs by using MatRIS. First, we demonstrate that Cholesky in MatRIS provides multi-GPU scalability that offers competitive performance versus cuSolverMG. Then, we present the challenges and opportunities for heterogeneous execution.

Monil, M. A. H.↗

Insights into the Structure–Activity Relationships in Metal–Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation

Solid supports play an indispensable role in heterogeneous catalysis, as they can directly affect the catalytic activity and selectivity of supported catalysts. However, the specific roles of such supports remain to be demystified owing to the difficulties in obtaining precise structural information on supported catalysts. To understand the effects of MOF topology, pore environment, and metal identity of node supports on the catalytic activity, a Ni catalyst was supported on eight Zr- or Hf-MOFs based on 8-connected nodes: namely M-NU-1200, M-NU-1000, M-NU-1008, and M-NU-1010 (M = Zr, Hf). Single-crystal X-ray diffraction (SCXRD), diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), and X-ray photoelectron spectroscopy (XPS) were employed to characterize the supported catalyst structures. To investigate the support effects on their activities, the supported Ni catalysts were evaluated by using ethylene hydrogenation as a model reaction. The results revealed that all Hf-based-MOF-supported Ni catalysts exhibited higher catalytic reactivity with TOF (turnover frequency) values at least double of those isostructural Zr counterparts. Additionally, MOFs with less congested metal anchoring sites, as a result of the topology and surrounding pore environment, yielded higher TOFs, suggesting the importance of supports in dictating both the catalyst accessibility and activity. Computational analysis complemented the experimental observations and provided insights into reaction barrier differences and their performance variation. Furthermore, this study demonstrates the essential role of the supports and provides a thought for selecting/designing suitable supports in heterogeneous catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Gas detector tube applications on Space Station Freedom

The Space Station Freedom (SSF) program requires measurements, by gas detector tubes, of trace contaminants (mainly CO and toluene didsocyanate) in the Node 2 (which is isolated from the trace contaminant control system for about 100 days during the SSF building missions) and Lab A atmosphere prior to the first entry of the crew. This paper discusses the results of an analysis of the levels of trace contaminants that can be expected in the Node 2 atmosphere at 100 days and the aspects of the detector tube design and technology which may need further developent for application in microgravity. Attention is also given to the factors governing the use of detector tubes for monitoring selected contaminants.

Shah, Burt H.↗

Space Station body mounted radiator design

Consideration has been given to utilizing the external area of the Space Station common modules or resource nodes to provide heat rejection. A program was undertaken to define the best body mounted radiator design, to define and build a full size test article and to conduct testing to verify performance. Trade studies were conducted and a preferred design selected. The selected design employed high performance grooved heat pipes of an off-the-shelf design. Twenty panels, each about 1.2 m wide by 5.6 m long are installed on each module rejecting a total of about 12 kW. The radiators are interfaced with the module thermal control loop by use of a refrigerant 21 loop with an on-orbit operable disconnect at each panel. A one-panel test article has been designed and is currently being fabricated. Testing is scheduled to be conducted in June of 1987.

Fleming, M. L.↗

Parallel Performance Characterization of Columbia

Using a collection of benchmark problems of increasing levels of realism and computational effort, we will characterize the strengths and limitations of the 10,240 processor Columbia system to deliver supercomputing value to application scientists. Scientists need to be able to determine if and how they can utilize Columbia to carry extreme workloads, either in terms of ultra-large applications that cannot be run otherwise (capability), or in terms of very large ensembles of medium-scale applications to populate response matrices (capacity). We select existing application benchmarks that scale from a small number of processors to the entire machine, and that highlight different issues in running supercomputing-calss applicaions, such as the various types of memory access, file I/O, inter- and intra-node communications and parallelization paradigms. http://www.nas.nasa.gov/Software/NPB/

Biswas, Rupak↗

Comparison of plug flow and multi-node stratified tank modeling approaches regarding computational efficiency and accuracy

Residential water heaters contain water stratified by temperature-driven density differences. This implies that a water tank can reach a state in which the top and bottom sections have different temperatures, unless mixing happens. A high degree of thermal stratification can improve the efficiency of some water heaters, by saving the amount of energy required for the heat-up process. Studies of stratification became popular in the 1970s and it remains an active research topic today. The research has led to the development of different models and techniques to better predict and define a stratified tanks behavior. By comparing these models and techniques used previously to describe thermal stratification, the phenomenon could be better understood, exploited, and used to increase efficiency and thermal energy capacity in modern water tanks. From the existing models, we found the one-dimensional standard plug-flow and a multi node model to be appropriate for analyzing the processes of the heat up and cool-down in a water tank. These two models are based on energy balances. This work involved comparing the accuracy and computational effort needed to implement these models. To assess accuracy, we compared both types of existing models to experimental data (also collected in this work) which included a heat up process using an external heat pump. This external process included a layering process that has an eddy diffusivity at five times the rate of thermal diffusion. For this project, we implemented the models in MATLAB, the multi-paradigm numerical computing environment. We quantified model accuracy using the root mean squared error between modeled data and experimental data for six measured tank temperatures. Comparing the accuracy and the computational time taken to run the simulation provides a method to contrast the performance of each model and a way to rate it. The multi node model was run using from 6 to 96 spatial nodes; the plug flow model was run using 1 to 0.001 º C temperature bin sizes. Additionally, timesteps were varied from 4 to 236 s. The results quantify the tradeoff between accuracy and computational time, providing guidance for simulations to intelligently select the best model type and simulation parameters. This research can be used to validate the pre-existing models and possibly improve the modern water tank.

Bulnes, Fernando Karg↗

Revenue Analysis of Stationary and Transportable Battery Storage for Power Systems: A Market Participant Perspective

The power system faces a growing need for increased transmission capacity and reliability with the rising integration of renewable energy resources. To tackle this challenge, Battery Energy Storage Systems (BESSs) prove effective in enhancing grid capacity and relieving transmission congestion. This paper focuses on the PJM market, conducting a thorough revenue analysis to identify and characterize highly profitable nodes for BESS market participants. A comparison between stationary and transportable BESSs reveals that the transportable BESSs can generate higher potential revenue in energy and regulation markets. Based on these findings, we propose an optimal placement algorithm to support market participants in selecting strategic sites for BESS installation, validated with real PJM market data. This paper provides valuable insights for navigating market-based power system participants and promoting the effective integration of BESSs.

25 ENERGY STORAGE↗

Community detection robustness of graph neural networks

Graph neural networks (GNNs) are increasingly widely used for community detection in attributed networks. They combine structural topology with node attributes through message passing and pooling. However, their robustness or lack thereof with respect to different perturbations and targeted attacks in conjunction with community detection tasks is not well understood. To shed light on latent mechanisms behind GNN sensitivity on community detection tasks, we conduct a systematic computational evaluation of six widely adopted GNN architectures graph convolutional network, graph attention network, graph sample and aggregate (GraphSAGE), differentiable pooling (DiffPool), minimum cut pooling (MinCUT), and deep modularity networks (DMoN). The analysis covers three perturbation categories: node attribute manipulations, edge topology distortions, and adversarial attacks. We use element-centric similarity as the evaluation metric on synthetic benchmarks and real-world citation networks. Our findings indicate that supervised GNNs tend to achieve higher baseline accuracy, while unsupervised methods, particularly DMoN, maintain stronger resilience under targeted and adversarial perturbations. Furthermore, robustness appears to be strongly influenced by community strength, with well-defined communities reducing performance loss. Across all models, node attribute perturbations associated with targeted edge deletions and shifts in attribute distributions tend to cause the largest degradation in community recovery. These findings highlight important trade-offs between accuracy and robustness in GNN-based community detection and offer insights into selecting architectures resilient to noise and adversarial attacks.

Goel, Jaidev [Virginia Polytechnic Inst. and State↗

Real-Time Wireless Data Acquisition System

Current and future aerospace requirements demand the creation of a new breed of sensing devices, with emphasis on reduced weight, power consumption, and physical size. This new generation of sensors must possess a high degree of intelligence to provide critical data efficiently and in real-time. Intelligence will include self-calibration, self-health assessment, and pre-processing of raw data at the sensor level. Most of these features are already incorporated in the Wireless Sensors Network (SensorNet(TradeMark)), developed by the Instrumentation Group at Kennedy Space Center (KSC). A system based on the SensorNet(TradeMark) architecture consists of data collection point(s) called Central Stations (CS) and intelligent sensors called Remote Stations (RS) where one or more CSs can be accommodated depending on the specific application. The CS's major function is to establish communications with the Remote Stations and to poll each RS for data and health information. The CS also collects, stores and distributes these data to the appropriate systems requiring the information. The system has the ability to perform point-to-point, multi-point and relay mode communications with an autonomous self-diagnosis of each communications link. Upon detection of a communication failure, the system automatically reconfigures to establish new communication paths. These communication paths are automatically and autonomously selected as the best paths by the system based on the existing operating environment. The data acquisition system currently under development at KSC consists of the SensorNet(TradeMark) wireless sensors as the remote stations and the central station called the Radio Frequency Health Node (RFHN). The RFF1N is the central station which remotely communicates with the SensorNet(TradeMark) sensors to control them and to receive data. The system's salient feature is the ability to provide deterministic sensor data with accurate time stamps for both time critical and non-time critical applications. Current wireless standards such as Zigbee(TradeMark) and Bluetooth(Registered TradeMark) do not have these capabilities and can not meet the needs that are provided by the SensorNet technology. Additionally, the system has the ability to automatically reconfigure the wireless communication link to a secondary frequency if interference is encountered and can autonomously search for a sensor that was perceived to be lost using the relay capabilities of the sensors and the secondary frequency. The RFHN and the SensorNet designs are based on modular architectures that allow for future increases in capability and the ability to expand or upgrade with relative ease. The RFHN and SensorNet sensors .can also perform data processing which forms a distributed processing architecture allowing the system to pass along information rather than just sending "raw data points" to the next higher level system. With a relatively small size, weight and power consumption, this system has the potential for both spacecraft and aircraft applications as well as ground applications that require time critical data.

Valencia, Emilio J.↗

Robust Chemiresistive Behavior in Conductive Polymer/MOF Composites

Metal-organic frameworks (MOFs) are promising materials for gas sensing but are often limited to single-use detection. A hybridization strategy is demonstrated synergistically deploying conductive MOFs (cMOFs) and conductive polymers (cPs) as two complementary mixed ionic-electronic conductors in high-performing stand-alone chemiresistors. This work presents significant improvement in i) sensor recovery kinetics, ii) cycling stability, and iii) dynamic range at room temperature. The effect of hybridization across well-studied cMOFs is demonstrated based on 2,3,6,7,10,11-hexahydroxytriphenylene (HHTP) and 2,3,6,7,10,11-hexaiminotriphenylene (HITP) ligands with varied metal nodes (Co, Cu, Ni). A comprehensive mechanistic study is conducted to relate energy band alignments at the heterojunctions between the MOFs and the polymer with sensing thermodynamics and binding kinetics. The findings reveal that hole enrichment of the cMOF component upon hybridization leads to selective enhancement in desorption kinetics, enabling significantly improved sensor recovery at room temperature, and thus long-term response retention. This mechanism is further supported by density functional theory calculations on sorbate–analyte interactions. It is also found that alloying cPs and cMOFs enables facile thin film co-processing and device integration, potentially unlocking the use of these hybrid conductors in diverse electronic applications.

36 MATERIALS SCIENCE↗

A gated graph transformer for protein complex structure quality assessment and its performance in CASP15

Abstract Motivation Proteins interact to form complexes to carry out essential biological functions. Computational methods such as AlphaFold-multimer have been developed to predict the quaternary structures of protein complexes. An important yet largely unsolved challenge in protein complex structure prediction is to accurately estimate the quality of predicted protein complex structures without any knowledge of the corresponding native structures. Such estimations can then be used to select high-quality predicted complex structures to facilitate biomedical research such as protein function analysis and drug discovery. Results In this work, we introduce a new gated neighborhood-modulating graph transformer to predict the quality of 3D protein complex structures. It incorporates node and edge gates within a graph transformer framework to control information flow during graph message passing. We trained, evaluated and tested the method (called DProQA) on newly-curated protein complex datasets before the 15th Critical Assessment of Techniques for Protein Structure Prediction (CASP15) and then blindly tested it in the 2022 CASP15 experiment. The method was ranked 3rd among the single-model quality assessment methods in CASP15 in terms of the ranking loss of TM-score on 36 complex targets. The rigorous internal and external experiments demonstrate that DProQA is effective in ranking protein complex structures. Availability and implementation The source code, data, and pre-trained models are available at https://github.com/jianlin-cheng/DProQA.

59 BASIC BIOLOGICAL SCIENCES↗

Final report of a scalable, automated, semipermanent seismic array (SASSA) method for detecting CO 2 extent during geologic CO 2 injection

The scalable, automated, semipermanent seismic array (SASSA) project led and managed by the Energy & Environmental Research Center (EERC) was designed as a 3-year proof-of-concept study to evaluate and demonstrate an innovative application of the seismic method. The concept was to use a sparse surface array of 96 nodal seismic sensors paired with a single, remotely operated active seismic source at a fixed location to monitor for CO 2 saturation changes in a subsurface reservoir by processing the data for time-lapse changes at individual, strategically chosen reservoir reflection points. The combination of autonomous equipment and modern processing algorithms was used to apply the seismic method in a manner different from the normal paradigm of collecting a spatially dense data set to produce an image. It was used instead to monitor individual, strategically chosen reservoir reflection points for detectable signal character changes that could be attributed to the passing of a CO 2 saturation front or, possibly, changes in reservoir pressure. Data collection occurred over the course of 1 year at an oil field undergoing CO 2 injection for enhanced oil recovery (EOR) and focused on four overlapping “five-spot” EOR injector–producer patterns. Selection, procurement, configuration, installation, and testing of project equipment and collection of five baseline data sets were completed in advance of CO 2 injection within the study area. Weekly remote data collection produced 41 incremental time-lapse records for each of the 96 nodes. Validation was provided by two methods: 1) a conventional 2-D seismic line acquired through the center of the study area before injection started and again after the project ended and processed in a time-lapse manner and 2) by CO 2 saturation maps created from reservoir simulations based on injection and production history matching. Interpreted results were encouraging but mixed, with indications of changes likely due to the presence of CO 2 on some node reflection points where and when effects would be expected and noneffects where no CO 2 was expected, while results at some locations where simulation outputs suggested CO 2 should be present were ambiguous. Acquisition noise impacted interpretation of data at several locations. Many lessons learned were generated by the study to inform and improve results on a follow-up study. The ultimate aim of the project was to evaluate whether deployment of a SASSA technology can provide a useful and cost-effective monitoring solution for future CO 2 injection projects. The answer appears to be affirmative, with the expectation that lessons learned applied to future iterations, together with technology advances, will likely result in significant improvements.

58 GEOSCIENCES↗

Multi-parametric analysis for mixed integer linear programming: An application to transmission upgrade and congestion management

Upgrading the capacity of existing transmission lines is essential for meeting the growing energy demands, facilitating the integration of renewable energy, and ensuring the security of the transmission system. This study focuses on the selection of lines whose capacities and by how much should be expanded from the perspective of the Independent System Operators (ISOs) to minimize the total system cost. We employ advanced multi-parametric programming and an enhanced branch-and-bound algorithm to address complex mixed-integer linear programming (MILP) problems, considering multi-period time constraints and physical limitations of generators and transmission lines. To characterize the various decisions in transmission expansion, we model the increased capacity of existing lines as parameters within a specified range. This study first relaxes the binary variables to continuous variables and applies the Lagrange method and Karush-Kuhn-Tucker (KKT) conditions to obtain optimal solutions and identify critical regions associated with active and inactive constraints. Moreover, we extend the traditional branch-and-bound (B&B) method by determining the problem’s upper and lower bounds at each node of the B&B decision tree, helping to manage computational challenges in large-scale MILP problems. Here, we compare the difference between the upper and lower bounds to obtain an approximate optimal solution within the decision-makers’ tolerable error range. In addition, the first derivative of the objective function on the parameters of each line is used to inform the selection of lines for easing congestion and maximizing social welfare. Finally, the capacity upgrades are selected by weighing the reductions in system costs against the expense of upgrading line capacities. The findings are supported by numerical simulations and provide transmission-line planners with decision-making guidance.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Elevated temperature crack growth

Alloy 718 crack growth experiments were conducted to assess the ability of the selected path-independent (P-I) integrals to describe the elevated temperature crack growth behavior. These tests were performed on single edge notch (SEN) specimens under displacement control with multiple extensometers to monitor the specimen and crack mouth opening displacement (CMOD). The displacements in these tests were sufficiently high to induce bulk cyclic inelastic deformation of the specimen. Under these conditions, the linear elastic fracture mechanics (LEFM) parameter K does not correlate the crack growth data. The experimentally measured displacement gradients at the end of specimen gage length were used as the boundary conditions in elastic-plastic finite element method (FEM) analyses. These analyses were performed with a node release approach using CYANIDE, a GEAE FEM code, which included a gap element which is capable of efficiently simulating crack closure. Excellent correlation was obtained between the experimentally measured and predicted variation of stress and CMOD with crack length and the stress-CMOD loops for Alloy 718 tests conducted at 538 C. This confirmed the accuracy of the FEM crack growth simulation approach. The experimentally measured crack growth rate data correlated well the selected P-I integrals. These investigations have produced significant progress in developing P-I integrals as non-linear fracture mechanics parameters. The results suggest that this methodology has the potential of accurately describing elevated temperature crack growth behavior under the combined influence of thermal cycling and bulk elastic-inelastic deformation states.

Kim, K. S.↗

matsim-agents v1.0

matsim-agents is a multi-agent AI framework for atomistic materials simulation and discovery. It orchestrates large language models (LLMs), machine-learned interatomic potentials (MLIPs), and DFT codes into a single agentic loop running on laptops and DOE leadership-class supercomputers. MULTI-AGENT ORCHESTRATION A LangGraph state machine with three nodes: a Planner that converts a natural-language research objective into structured tasks; an Executor that dispatches atomistic tools and loops until the queue is empty; and an Analyst that summarizes results into a human-readable report. State is checkpointed after every step and human-in-the-loop gates can be inserted at any edge. HYPOTHESIS-DRIVEN DISCOVERY CHAT An interactive REPL (matsim-agents chat) that couples LLM dialogue with atomistic simulation. Chemical formulas are automatically detected in conversation turns and trigger a full crystal-phase exploration: structure generation → relaxation → stability scoring → result injection back into the conversation, creating a closed hypothesis-refinement loop. CRYSTAL PHASE ENUMERATION Given a composition, the phase explorer enumerates prototypes by stoichiometry: elemental (fcc/bcc/hcp/sc/diamond), binary 1:1 (rocksalt/CsCl/zincblende/ wurtzite/fluorite/rutile), ternary 1:1:3 (cubic perovskite), ternary 1:2:4 (perovskite + spinel), quaternary 1:1:2:6 (Fm-3m double perovskite). 2-D prototypes (graphene, h-BN, MoS2 2H/1T) and multilayer stacking are also supported via --include-2d and --num-layers. SUPERCELL GENERATION AND SITE DECORATION Auto-tiling to a minimum atom count (--min-atoms), explicit NxNxN tiling (--supercell), symmetry-distinct site decorations (--n-orderings), and isotropic lattice-scale sweeps (--lattice-scales) for volume bracketing. MLFF RELAXATION AND STABILITY SCORING HydraGNN (multi-headed GNN) drives structure relaxation via ASE with FIRE, BFGS, or BFGSLineSearch. Stability output: delta-E/atom ranking across phases and a max-residual-force dynamical-stability proxy. Other MLIPs (MACE, NequIP, Orb) can be plugged in through the same interface. DFT BACKENDS Quantum ESPRESSO pw.x and VASP 6.6 are first-class labellers. Both have validated GPU builds and SLURM/PBS launchers for three DOE platforms: Frontier (AMD MI250X, ROCm), Aurora (Intel PVC, oneAPI), Perlmutter (NVIDIA A100, CUDA). QE produces ~100 binaries (pw.x, ph.x, epw.x, ...). VASP supports scf, relax, vc-relax, and vc-relax-shape run types. ACTIVE-LEARNING LOOP matsim-agents al run CONFIG.yaml drives an iterative HydraGNN-DFT loop: MD generates candidates → ensemble/MC-dropout uncertainty selects the most informative → DFT labels them in parallel inside one allocation → dataset grows → HydraGNN retrains → repeat. DFT backend is a single YAML toggle (dft.backend: vasp | qe). LLM-generated seed structures are supported (no curated POSCAR library needed). Config uses ${VAR}, ${VAR:-default}, ${VAR:?msg} shell-style substitution for cross-user/cross-site portability. LLM BACKENDS Ollama (local, default), vLLM (HPC multi-GPU serving), OpenAI, Anthropic, HuggingFace Transformers+Accelerate. Selected at runtime via flag or env var with no code changes. HPC PORTABILITY Same Python entry points run on Frontier (ROCm 7.2), Aurora (oneAPI), and Perlmutter (CUDA 12). DFT and ML stacks are never co-loaded in the same shell; they couple through the scheduler and filesystem. Advanced multi-node launchers (serve, discovery-chat, single-relaxation, active-learning, QE warm-start) are provided for all three platforms. CODABENCH COMPETITION BUNDLE A self-contained benchmark: 159 atomistic test structures across 11 material classes, 5 tasks (formation energy, forces, ML relaxation, AI-DFT relaxation, phase stability ranking), public/private leaderboard split (30/70), and four ready-to-run baselines: MACE-MP-0, HydraGNN, UMA, AllScAIP.

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗

A User’s Guide to the PLTEMP/ANL Code

PLTEMP/ANL V4.3 is a program that obtains a steady-state flow and temperature solution for a nuclear reactor core, or for a single fuel assembly. It is based on an evolutionary sequence of codes originally used for plate temperatures, hence “PLTEMP”, developed at Argonne National Laboratory over several decades. Fueled and non-fueled regions are modeled. Each fuel assembly consists of one or more plates or tubes separated by coolant channels. The fuel plates may have one to five layers of different materials, each with heat generation. The width of a fuel plate may be divided into multiple longitudinal stripes, each with its own axial power shape. Depending upon the heat transfer method selected, the temperature solution is effectively 2-dimensional or 3-dimensional (Appendix XV). It begins with a solution across all coolant channels and fuel plates or tubes within a given fuel assembly, at the entrance to the assembly. The temperature solution is repeated for each axial node along the length of the fuel assembly. The geometry may be either slab or radial, corresponding to fuel assemblies made of a series of flat (or slightly curved) plates, or of nested tubes. A variety of thermal-hydraulic correlations are available to determine safety margins such as onset-of-nucleate boiling ratio(ONBR), departure from nucleate boiling ratio (DNBR), and onset of flow instability ratio (OFIR). Coolant properties for either light or heavy water are obtained from FORTRAN functions rather than from tables. The code is intended for thermal-hydraulic analysis of research reactor performance in the sub-cooled boiling regime. Both turbulent and laminar flow regimes can be modeled. Options to calculate both forced flow and natural circulation are available. A general search capability is available (Appendix XII) to greatly reduce the reactor analyst’s time.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A User’s Guide to the PLTEMP/ANL Code

PLTEMP/ANL V4.3 is a program that obtains a steady-state flow and temperature solution for a nuclear reactor core, or for a single fuel assembly. It is based on an evolutionary sequence of codes originally used for plate temperatures, hence “PLTEMP”, developed at Argonne National Laboratory over several decades. Fueled and non-fueled regions are modeled. Each fuel assembly consists of one or more plates or tubes separated by coolant channels. The fuel plates may have one to five layers of different materials, each with heat generation. The width of a fuel plate may be divided into multiple longitudinal stripes, each with its own axial power shape. Depending upon the heat transfer method selected, the temperature solution is effectively 2-dimensional or 3-dimensional (Appendix XV). It begins with a solution across all coolant channels and fuel plates or tubes within a given fuel assembly, at the entrance to the assembly. The temperature solution is repeated for each axial node along the length of the fuel assembly. The geometry may be either slab or radial, corresponding to fuel assemblies made of a series of flat (or slightly curved) plates, or of nested tubes. A variety of thermal-hydraulic correlations are available to determine safety margins such as onset-of-nucleate boiling ratio(ONBR), departure from nucleate boiling ratio (DNBR), and onset of flow instability ratio (OFIR). Coolant properties for either light or heavy water are obtained from FORTRAN functions rather than from tables. The code is intended for thermal-hydraulic analysis of research reactor performance in the sub-cooled boiling regime. Both turbulent and laminar flow regimes can be modeled. Options to calculate both forced flow and natural circulation are available. A general search capability is available (Appendix XII) to greatly reduce the reactor analyst’s time.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Multistage classification of multispectral Earth observational data: The design approach

An algorithm is proposed which predicts the optimal features at every node in a binary tree procedure. The algorithm estimates the probability of error by approximating the area under the likelihood ratio function for two classes and taking into account the number of training samples used in estimating each of these two classes. Some results on feature selection techniques, particularly in the presence of a very limited set of training samples, are presented. Results comparing probabilities of error predicted by the proposed algorithm as a function of dimensionality as compared to experimental observations are shown for aircraft and LANDSAT data. Results are obtained for both real and simulated data. Finally, two binary tree examples which use the algorithm are presented to illustrate the usefulness of the procedure.

Bauer, M. E.↗