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At least 1,063 records · Page 59

NetMOD Version 2.0 Mathematical Framework

NetMOD ( Net work M onitoring for O ptimal D etection) is a Java-based software package for conducting simulation of seismic, hydroacoustic and infrasonic networks. Network simulations have long been used to study network resilience to station outages and to determine where additional stations are needed to reduce monitoring thresholds. NetMOD makes use of geophysical models to determine the source characteristics, signal attenuation along the path between the source and station, and the performance and noise properties of the station. These geophysical models are combined to simulate the relative amplitudes of signal and noise that are observed at each of the stations. From these signal-to-noise ratios (SNR), the probabilities of signal detection at each station and event detection across the network of stations can be computed given a detection threshold. The purpose of this document is to clearly and comprehensively present the mathematical framework used by NetMOD, the software package developed by Sandia National Laboratories to assess the monitoring capability of ground-based sensor networks. Many of the NetMOD equations used for simulations are inherited from the NetSim network capability assessment package developed in the late 1980s by SAIC (Sereno et al., 1990).

58 GEOSCIENCES↗

Web-Based Computational Model Builder for Nuclear Energy Advanced Modeling & Simulation (Phase I Final Report)

Today, the importance of nuclear power in the US is a geopolitical matter as much as it is an economic one. This is due to the notion that increasing the use of nuclear power reduces the US's reliance on imported oil and gas. In order to design future systems and continue operational improvements at existing US plants, advanced modeling and simulation of nuclear power reactors is crucial. A variety of challenges exist to using advanced modeling and simulation in practice, especially for the nuclear energy community and other organizations with fewer computational resources and limited expertise. There is an increasing need of access to highly capable compute, data, and software resources from network systems, which are becoming more administratively restricted from access through installation of traditional client-server applications. The nuclear energy community is not capable of maintaining exponential growth of computing capability and data storage coupled with the necessary end-to-end network bandwidth improvements. Applications that provide higher fidelity with increased physics and decreased assumptions, by their very nature, require more and more computational resources. We believe Web-based, Cloud-enabled, end-to-end simulation software for nuclear energy advanced modeling and simulation to be the solution to these challenges.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Modeling Single and Two-Phase Transport in Thin Porous Layers Using a Composite Continuum-Pore Network Formulation

In this work, a composite continuum-pore network formulation is presented to model single and two-phase transport thin porous layers, such as gas diffusion layers in polymer electrolyte fuel cells (PEFCs) and active electrodes in redox flow batteries (RFBs). The formulation can be integrated into CFD codes, thus combining the ease of implementation of continuum-based modeling and the computational power of pore-network modeling. The composite model includes a control volume (CV) mesh at the layer scale, which embeds a cubic pore network [1,2]. The pore-network model is used to determine analytically local anisotropic effective transport properties (local effective diffusivity and permeability), which are mapped onto the CV mesh to simulate transport in the porous transport layer [3,4]. Good agreement is found between the predicted global effective transport properties (global effective diffusivity and permeability) under dry and wet conditions and previous experimental data reported in the literature for Toray TGP-H series carbon paper. Water saturation distributions are also compared with results obtained using X-ray computed tomography [4]. [1] P.A. García-Salaberri, I.V. Zenyuk, J.T. Gostick, A.Z. Weber, Modeling Gas Diffusion Layer in Polymer Electrolyte Fuel Cells Using a Continuum-Based Pore-Network Formulation, ECS Trans. 97 (2020) 615. [2] P.A. García-Salaberri, Modeling diffusion and convection in thin porous transport layers using a composite continuum-network model: Application to gas diffusion layers in polymer electrolyte fuel cells, Int J. Heat Mass Transf. (2020), submitted. [3] P.A. García-Salaberri, J.T. Gostick, G. Hwang, A.Z. Weber, M. Vera, Effective diffusivity in partially-saturated carbon-fiber gas diffusion layers: Effect of local saturation and application to macroscopic continuum models, J. Power Sources 296 (2015) 440–453. [4] P.A. García-Salaberri, G. Hwang, M. Vera, A.Z. Weber, J.T. Gostick, Effective diffusivity in partially-saturated carbon-fiber gas diffusion layers: Effect of through-plane saturation distribution, Int. J. Heat Mass Transf. 86 (2015) 319–333.

Garcia-Salaberri, Pablo↗

Modeling and Simulation of Power-Electronic Inverters in Analog Electronic Circuit Simulators

This paper demonstrates how equivalent-circuit representations of grid-following power-electronic inverters can be realized within a SPICE-based development environment using common circuit components and VerilogA code. This facilitates computationally lean simulations of inverter networks leveraging the strengths of SPICE in large-scale simulations. We validate the approach with time-domain simulations for a modified version of the IEEE standard 118-bus system modeled in Virtuoso (a SPICE-based solver). Simulation results are compared-focusing on accuracy and computation speed-with results from a commonly used power-electronics simulation package. We note a significant decrease in simulation time with comparable signal resolution when simulating the network in SPICE.

Billmeyer, Ryan↗

Modeling and Simulation of High Dimensional Stochastic Multiscale PDE Systems at the Exascale

The thrust of the proposal was to exploit modern data-mining tools in a way that will create a systematic, computer-assisted approach to the representation of random media -- and also to the representation of the solutions of an array of important physicochemical processes that take place in/on such media. A parsimonious representation/parametrization of the random media links directly (via uncertainty quantification tools) to good sampling of the distribution of random media realizations. It also links directly to modern multiscale computational algorithms (like the equation-free approach that has been developed in our group) and plays a crucial role in accelerating the scientific computation of solutions of nonlinear PDE models (deterministic or stochastic) in such media – both solutions in particular realizations of the random media, and estimation of the statistics of the solutions over multiple realizations (e.g. expectations).

97 MATHEMATICS AND COMPUTING↗

Towards replacing physical testing of granular materials with a Topology-based Model

In the study of packed granular materials, the performance of a sample (e.g., the detonation of a high-energy explosive) often correlates to measurements of a fluid flowing through it. The “effective surface area,” the surface area accessible to the airflow, is typically measured using a permeametry apparatus that relates the flow conductance to the permeable surface area via the Carman-Kozeny equation. This equation allows calculating the flow rate of a fluid flowing through the granules packed in the sample for a given pressure drop. However, Carman-Kozeny makes inherent assumptions about tunnel shapes and flow paths that may not accurately hold in situations where the particles possess a wide distribution in shapes, sizes, and aspect ratios, as is true with many powdered systems of technological and commercial interest. To address this challenge, we replicate these measurements virtually on micro-CT images of the powdered material, introducing a new Pore Network Model based on the skeleton of the Morse-Smale complex. Pores are identified as basins of the complex, their incidence encodes adjacency, and the conductivity of the capillary between them is computed from the cross-section at their interface. We build and solve a resistive network to compute an approximate laminar fluid flow through the pore structure. Here, we provide two means of estimating flow-permeable surface area: (i) by direct computation of conductivity, and (ii) by identifying dead-ends in the flow coupled with isosurface extraction and the application of the Carman-Kozeny equation, with the aim of establishing consistency over a range of particle shapes, sizes, porosity levels, and void distribution patterns.

36 MATERIALS SCIENCE↗

Anomaly Detection in Gamma Spectra Using Hopfield Neural Network with B-SAT and Grover’s Algorithm on a Quantum Computing Simulator

Environmental screening of gamma radiation consists of detecting weak nuisance and anomaly signal in the presence of strong and highly varying background. In a typical scenario, a mobile detector-spectrometer continuously measures gamma radiation spectra in short, e.g., one-second, signal acquisition intervals. In principle, gamma radiation sources can be detected and identified by their unique spectral lines. However, detecting sources from data measured in a search scenario is difficult due to the highly varying background because of naturally occurring radioactive material (NORM), and low signal-to-noise ratio (S/N) of spectral signal measured during one-second acquisition intervals. In recent prior work, we have developed a Hopfield Neural Network (HNN) in conjunction with an image processing algorithm to detect a weak signal anomaly hidden among the highly fluctuating background spectra. The objective of this work is to explore quantum computing methods to increase the speed of HNN. The approach is based on the Grover’s search algorithm in conjunction with a 3-SAT problem formalism. The Grover’s algorithm is implemented on a quantum computing simulator using Qiskit software. Performance of HNN algorithm is benchmarked using search data from an environmental screening campaign, where the anomaly is a subset of measurements containing a 137 Cs source. Results indicate that using Grover’s algorithm on a quantum simulator reduces runtime of HNN by two orders of magnitude.

61 RADIATION PROTECTION AND DOSIMETRY↗

Multi-variance replica exchange SGMCMC for inverse and forward problems via Bayesian PINN

Physics-informed neural network (PINN) has been successfully applied in solving a variety of nonlinear non-convex forward and inverse problems. However, the training is challenging because of the non-convex loss functions and the multiple optima in the Bayesian inverse problem. In this work, we propose a multi-variance replica exchange stochastic gradient Langevin dynamics method to tackle the challenge of the multiple local optima in the optimization and the challenge of the multiple modal posterior distribution in the inverse problem. Replica exchange methods are capable of escaping from the local traps and accelerating the convergence; two chains with different temperatures are designed where the low temperature chain aims for the local convergence, and the target of the high temperature chain is to travel globally and explore the whole loss function entropy landscape. However, it may not be efficient to solve mathematical inversion problems by using the vanilla replica method directly since the method doubles the computational cost in evaluating the forward solvers (likelihood functions) in the two chains. To address this issue, we propose to make different assumptions on the energy function estimation and this facilities one to use solvers of different fidelities in the likelihood function evaluation. More precisely, one can use a solver with low fidelity in the high temperature chain while using a solver with high fidelity in the low temperature chain. Our proposed method significantly lowers the computational cost in the high temperature chain, meanwhile preserving the accuracy and converging very fast. Here we give an unbiased estimate of the swapping rate and give an estimation of the discretization error of the scheme. To verify our idea, we design and solve four inverse problems which have multiple modes. The proposed method is also employed to train the Bayesian PINN to solve the forward and inverse problems; faster and more accurate convergence has been observed when compared to the stochastic gradient Langevin dynamics (SGLD) method and vanilla replica exchange methods.

97 MATHEMATICS AND COMPUTING↗

Three-Dimensional Pore Networks in Miocene Stevens Sandstone of California: Implications for CO 2 Geologic Storage

The Miocene Stevens Sandstone in the San Joaquin Basin of California is increasingly recognized as a promising candidate for CO 2 geological storage due to the enormous storage capacity, proven sealing, and existing infrastructure. In this study, computed microtomography imaging and pore network modeling were employed to investigate the influence of pore geometry and wettability on the CO 2 injectivity and residual trapping. Image analysis revealed that a significant fraction of the cement and matrix consists of microporous regions. The microporosity can substantially increase the overall pore space, yet its contribution to permeability remains modest, particularly in samples with low permeability. The intrinsic heterogeneity of turbidite reservoirs further complicates the reservoir properties among different layers. Two-phase flow simulations under varying wettability conditions (water-wet, weak water-wet, and neutral-wet) demonstrated that the CO 2 injection is predominantly controlled by macropores. CO 2 invades microporous regions only after these larger pores are filled. The presence of microporosity leads to a decrease in both initial and residual CO 2 saturations, with the magnitude of the reduction being influenced by wettability. Neutral-wet scenarios exhibit higher CO 2 mobility and thus lower residual trapping than water-wet scenarios. The results imply that heterogeneity in pore geometry and cement distribution across different layers can result in stratified CO 2 flow pathways, complicating efforts to predict injection performance. Overall, the Stevens Sandstone shows considerable promise for CO 2 geologic storage, but effective implementation will require detailed characterization of the pore structure as well as the integration of reactive fluid flow to account for potential mineral dissolution and fines migration.

fluids↗

Algorithms and data structures to accelerate network analysis

As the sheer amount of computer generated data continues to grow exponentially, new bottlenecks are unveiled that require rethinking our traditional software and hardware architectures. Here in this paper we present five algorithms and data structures (long queue emulation, lockless bimodal queues, tail early dropping, LFN tables, and multiresolution priority queues) designed to optimize the process of analyzing network traffic. We integrated these optimizations on R-Scope, a high performance network appliance that runs the Bro network analyzer, and present benchmarks showcasing performance speed ups of 5X at traffic rates of 10 Gbps.

97 MATHEMATICS AND COMPUTING↗

The Medical Science DMZ

Objective We describe use cases and an institutional reference architecture for maintaining high-capacity, data-intensive network flows (e.g., 10, 40, 100 Gbpsþ) in a scientific, medical context while still adhering to security and privacy laws and regulations. Materials and Methods High-end networking, packet filter firewalls, network intrusion detection systems. Results We describe a “Medical Science DMZ” concept as an option for secure, high-volume transport of large, sensitive data sets between research institutions over national research networks. Discussion The exponentially increasing amounts of “omics” data, the rapid increase of high-quality imaging, and other rapidly growing clinical data sets have resulted in the rise of biomedical research “big data.” The storage, analysis, and network resources required to process these data and integrate them into patient diagnoses and treatments have grown to scales that strain the capabilities of academic health centers. Some data are not generated locally and cannot be sustained locally, and shared data repositories such as those provided by the National Library of Medicine, the National Cancer Institute, and international partners such as the European Bioinformatics Institute are rapidly growing. The ability to store and compute using these data must therefore be addressed by a combination of local, national, and industry resources that exchange large data sets. Maintaining data-intensive flows that comply with HIPAA and other regulations presents a new challenge for biomedical research. Recognizing this, we describe a strategy that marries performance and security by borrowing from and redefining the concept of a “Science DMZ”—a framework that is used in physical sciences and engineering research to manage high-capacity data flows. Conclusion By implementing a Medical Science DMZ architecture, biomedical researchers can leverage the scale provided by high-performance computer and cloud storage facilities and national high-speed research networks while preserving privacy and meeting regulatory requirements.

97 MATHEMATICS AND COMPUTING↗

Intelligent Software Agents: Sensor Integration and Response

Abstract In a post Macondo world the buzzwords are Integrity Management and Incident Response Management. The twin processes are not new but the opportunity to link the two is novel. Intelligent software agents can be used with sensor networks in distributed and centralized computing systems to enhance real-time monitoring of system integrity as well as manage the follow-on incident response to changing, and potentially hazardous, environmental conditions. The software components are embedded at the sensor network nodes in surveillance systems used for monitoring unusual events. When an event occurs, the software agents establish a new concept of operation at the sensing node, post the event status to a blackboard for software agents at other nodes to see , and then react quickly and efficiently to monitor the scale of the event. The technology addresses a current challenge in sensor networks that prevents a rapid and efficient response when a sensor measurement indicates that an event has occurred. By using intelligent software agents - which can be stationary or mobile, interact socially, and adapt to changing situations - the technology offers features that are particularly important when systems need to adapt to active circumstances. For example, when a release is detected, the local software agent collaborates with other agents at the node to exercise the appropriate operation, such as: targeted detection, increased detection frequency, decreased detection frequency for other non-alarming sensors, and determination of environmental conditions so that adjacent nodes can be informed that an event is occurring and when it will arrive. The software agents at the nodes can also post the data in a targeted manner, so that agents at other nodes and the command center can exercise appropriate operations to recalibrate the overall sensor network and associated intelligence systems. The paper describes the concepts and provides examples of real-world implementations including the Threat Detection and Analysis System (TDAS) at the International Port of Memphis and the Biological Warning and Incident Characterization System (BWIC) Environmental Monitoring (EM) Component. Technologies developed for these 24/7 operational systems have applications for improved real-time system integrity awareness as well as provide incident response (as needed) for production and field applications.

emergency response↗

Space-based quantum networks are an essential component of future architecture for distributed quantum computers and quantum-enhanced secure communication

Space-based quantum links show great promise for connecting and communicating between quantum computers over ultra-long distances without the high loss incurred through fiber. A successful US quantum satellite would require large investment, national priority, and a diverse set of expertise. But, it would deliver US-owned quantum links that would allow for quantum-enhanced secure communications and the ability to connect quantum computers over long distances.

97 MATHEMATICS AND COMPUTING↗

Social Network Analysis in R: A Software Review

In education research, social network analysis is being widely used to study different interactions and their overall implications. Recently, there has also been a surge in the development of software tools to implement social network analysis. In this article, we review two popular R packages, igraph and statnet suite, in the context of network summarization and modeling. We discuss different aspects of these packages and demonstrate some of their functionalities by analyzing a friendship network of lawyers. Finally, we end with recommendations for using these packages along with pointers to additional resources for network analysis in R.

97 MATHEMATICS AND COMPUTING↗