Constrained complex optimization and its application to distributed-lumped-active network design
Constrained complex optimization method for synthesizing distributed-lumped-active networks
Huelsman, L. P.↗
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Acoustic loading in planar networks
The acoustic loading in a complex planar network of ducts is determined by a method in which Green function surface elements are used. The network consists of straight ducts, elbows and branched ducts. A transfer matrix technique is developed in which each duct is treated separately and the matrix of the influence coefficients is transformed to tri-diagonal form allowing efficient inversion.
El-Raheb, M.↗
Uncertainty quantification and propagation in lithium-ion battery electrodes using bayesian convolutional neural networks
The complex nature of manufacturing processes stipulates electrodes to possess high variability with increased heterogeneity during production. X-ray computed tomography imaging has proved to be critical in visualizing the complicated stochastic particle distribution of as-manufactured electrodes in lithium-ion batteries. However, accurate prediction of their electrochemical performance necessitates precise evaluation of kinetic and transport properties from real electrodes. Image segmentation that characterizes voxels to particle/pore phase is often meticulous and fraught with subjectivity owing to a myriad of unconstrained choices and filter algorithms. Here we utilize a Bayesian convolutional neural network to tackle segmentation subjectivity and quantify its pertinent uncertainties. Otsu inter-variance and Blind/Referenceless Imaging Spatial Quality Evaluator are used to assess the relative image quality of grayscale tomograms, thus evaluating the uncertainty in the derived microstructural attributes. We analyze how image uncertainty is correlated with the uncertainties and magnitude of kinetic and transport properties of an electrode, further identifying pathways of uncertainty propagation within microstructural attributes. The coupled effect of spatial heterogeneity and microstructural anisotropy on the uncertainty quantification of transport parameters is also understood. This work demonstrates a novel methodology to extract microstructural descriptors from real electrode images through quantification of associated uncertainties and discerning the relative strength of their propagation, thus facilitating feedback to manufacturing processes from accurate image based electrochemical simulations.
25 ENERGY STORAGE↗
Autonomous Information Unit for Fine-Grain Data Access Control and Information Protection in a Net-Centric System
As communication and networking technologies advance, networks will become highly complex and heterogeneous, interconnecting different network domains. There is a need to provide user authentication and data protection in order to further facilitate critical mission operations, especially in the tactical and mission-critical net-centric networking environment. The Autonomous Information Unit (AIU) technology was designed to provide the fine-grain data access and user control in a net-centric system-testing environment to meet these objectives. The AIU is a fundamental capability designed to enable fine-grain data access and user control in the cross-domain networking environments, where an AIU is composed of the mission data, metadata, and policy. An AIU provides a mechanism to establish trust among deployed AIUs based on recombining shared secrets, authentication and verify users with a username, X.509 certificate, enclave information, and classification level. AIU achieves data protection through (1) splitting data into multiple information pieces using the Shamir's secret sharing algorithm, (2) encrypting each individual information piece using military-grade AES-256 encryption, and (3) randomizing the position of the encrypted data based on the unbiased and memory efficient in-place Fisher-Yates shuffle method. Therefore, it becomes virtually impossible for attackers to compromise data since attackers need to obtain all distributed information as well as the encryption key and the random seeds to properly arrange the data. In addition, since policy can be associated with data in the AIU, different user access and data control strategies can be included. The AIU technology can greatly enhance information assurance and security management in the bandwidth-limited and ad hoc net-centric environments. In addition, AIU technology can be applicable to general complex network domains and applications where distributed user authentication and data protection are necessary. AIU achieves fine-grain data access and user control, reducing the security risk significantly, simplifying the complexity of various security operations, and providing the high information assurance across different network domains.
Chow, Edward T.↗
Time dissemination in the Hydro Quebec network
The ever increasing complexity of electrical networks combined with the increasing cost of power losses during a network failure has led public utilities to become equipped with more powerful and precise tools for pinpointing the causes of such a fault. Hydro Quebec has developed and is now using a time dissemination system which uses a modified IRIG B code transmitted on its own telecommunication network. The reasons for using such a system and the way it was carried out are discrete.
Missout, G.↗
Neural Networks for Prediction of Complex Chemistry in Water Treatment Process Optimization
Water chemistry plays a critical role in the design and operation of water treatment processes. Detailed chemistry modeling tools use a combination of advanced thermodynamic models and extensive databases to predict phase equilibria and reaction phenomena. The complexity and formulation of these models preclude their direct integration in equation-oriented modeling platforms, making it difficult to use their capabilities for rigorous water treatment process optimization. Neural networks (NN) can provide a pathway for integrating the predictive capability of chemistry software into equation-oriented models and enable optimization of complex water treatment processes across a broad range of conditions and process designs. Herein, we assess how NN architecture and training data impact their accuracy and use in equation-oriented water treatment models. We generate training data using PhreeqC software and determine how data generation and sample size impact the accuracy of trained NNs. The effect of NN architecture on optimization is evaluated by optimizing hypothetical black-box desalination processes using a range of feed compositions from USGS brackish water data set, tracking the number of successful optimizations, and testing the impact of initial guess on the final solution. Our results clearly demonstrate that data generation and architecture impact NN accuracy and viability for use in equation-oriented optimization problems.
Dudchenko, Alexander V↗
FlbB forms a distinctive ring essential for periplasmic flagellar assembly and motility in Borrelia burgdorferi
Spirochetes are a widespread group of bacteria with a distinct morphology. Some spirochetes are important human pathogens that utilize periplasmic flagella to achieve motility and host infection. The motors that drive the rotation of periplasmic flagella have a unique spirochete-specific feature, termed the collar, crucial for the flat-wave morphology and motility of the Lyme disease spirochete Borrelia burgdorferi. Here, we deploy cryo-electron tomography and subtomogram averaging to determine high-resolution in-situ structures of the B. burgdorferi flagellar motor. Comparative analysis and molecular modeling of in-situ flagellar motor structures from B. burgdorferi mutants lacking each of the known collar proteins (FlcA, FlcB, FlcC, FlbB, and Bb0236/FlcD) uncover a complex protein network at the base of the collar. Importantly, our data suggest that FlbB forms a novel periplasmic ring around the rotor but also acts as a scaffold supporting collar assembly and subsequent recruitment of stator complexes. The complex protein network based on the FlbB ring effectively bridges the rotor and 16 torque-generating stator complexes in each flagellar motor, thus contributing to the specialized motility and lifestyle of spirochetes in complex environments.
59 BASIC BIOLOGICAL SCIENCES↗
rNets: a standalone package to visualize reaction networks
In the study of chemical processes, visualizing reaction networks is pivotal for identifying crucial compounds and transformations. Traditional methods, such as network schematics and reaction path linear plots, often struggle to effectively represent complex reaction networks due to their size and intricate connectivity. Alternatives capable of leading with complexity include graph methods, but they are not user-friendly, lacking simplicity and modularity, which hinders their integration with widely-used research software. This work introduces rNets an innovative tool designed for the efficient visualization of reaction networks with a user-friendly interface, modularity, and seamless integration with existing software packages. The effectiveness of rNets is demonstrated through its application in analyzing three catalytic reactions, showcasing its potential to significantly enhance research both in homogeneous and heterogeneous catalysis fields. This tool not only simplifies the visualization process but also opens new avenues for exploring complex reaction networks in diverse research contexts.
Pablo-García, Sergio↗
Applying Model Based Systems Engineering to NASA's Space Communications Networks
System engineering practices for complex systems and networks now require that requirement, architecture, and concept of operations product development teams, simultaneously harmonize their activities to provide timely, useful and cost-effective products. When dealing with complex systems of systems, traditional systems engineering methodology quickly falls short of achieving project objectives. This approach is encumbered by the use of a number of disparate hardware and software tools, spreadsheets and documents to grasp the concept of the network design and operation. In case of NASA's space communication networks, since the networks are geographically distributed, and so are its subject matter experts, the team is challenged to create a common language and tools to produce its products. Using Model Based Systems Engineering methods and tools allows for a unified representation of the system in a model that enables a highly related level of detail. To date, Program System Engineering (PSE) team has been able to model each network from their top-level operational activities and system functions down to the atomic level through relational modeling decomposition. These models allow for a better understanding of the relationships between NASA's stakeholders, internal organizations, and impacts to all related entities due to integration and sustainment of existing systems. Understanding the existing systems is essential to accurate and detailed study of integration options being considered. In this paper, we identify the challenges the PSE team faced in its quest to unify complex legacy space communications networks and their operational processes. We describe the initial approaches undertaken and the evolution toward model based system engineering applied to produce Space Communication and Navigation (SCaN) PSE products. We will demonstrate the practice of Model Based System Engineering applied to integrating space communication networks and the summary of its results and impact. We will highlight the insights gained by applying the Model Based System Engineering and provide recommendations for its applications and improvements.
Bhasin, Kul↗
Stochastic fracture generation and thermo-hydro-mechanical modeling in an equivalent continuum framework for enhanced geothermal systems
Enhanced geothermal systems (EGS) involve fracturing low permeability material to establish well connectivity and then injecting and circulating fluid into the fractured subsurface for geothermal power production. Changes in fracture aperture from contraction of the cooling matrix rock may alter network connectivity and risk thermal short-circuiting. Thermo-hydro-mechanical (THM) models are a useful tool to study these processes. However, as fracture networks are complex, and data may be limited, fracture networks in THM models are often stochastically generated. Given reliance on stochastic fracture networks and THM modeling to represent the subsurface and assess productivity of EGS, increased understanding of the influence of such statistically derived fracture networks on flow and heat transport in THM models is needed. Here, a new fracture process model is developed in the reactive transport code PFLOTRAN to stochastically generate fracture families and simulate changes in fracture aperture over time due to temperature changes of the rock matrix. Sixty-four different fracture networks ranging from well to poorly-connected, are modeled in PFLOTRAN with and without mechanical processes (THM vs TH). Results indicate that for well-connected fracture networks, thermal short-circuiting is less of a concern due to the abundance of available alternative flowpaths. For poorly-connected fracture networks, inclusion of mechanical processes showed steep thermal drawdown coincident with increase in fracture aperture along developing colder flowpaths, demonstrating the risk of thermal short-circuiting. Simulations with additional, larger fractures engineered to establish connectivity in a poorly-fractured subsurface, indicate that while stochastic variation of fracture orientation of the background network had limited influence, such variation in the engineered fractures significantly affected flow and heat transport.
Discrete fracture networks (DFN)↗
A Novel Approach for Modeling Chemical Reaction in Generalized Fluid System Simulation Program
The Generalized Fluid System Simulation Program (GFSSP) is a computer code developed at NASA Marshall Space Flight Center for analyzing steady state and transient flow rates, pressures, temperatures, and concentrations in a complex flow network. The code, which performs system level simulation, can handle compressible and incompressible flows as well as phase change and mixture thermodynamics. Thermodynamic and thermophysical property programs, GASP, WASP and GASPAK provide the necessary data for fluids such as helium, methane, neon, nitrogen, carbon monoxide, oxygen, argon, carbon dioxide, fluorine, hydrogen, water, a hydrogen, isobutane, butane, deuterium, ethane, ethylene, hydrogen sulfide, krypton, propane, xenon, several refrigerants, nitrogen trifluoride and ammonia. The program which was developed out of need for an easy to use system level simulation tool for complex flow networks, has been used for the following purposes to name a few: Space Shuttle Main Engine (SSME) High Pressure Oxidizer Turbopump Secondary Flow Circuits, Axial Thrust Balance of the Fastrac Engine Turbopump, Pressurized Propellant Feed System for the Propulsion Test Article at Stennis Space Center, X-34 Main Propulsion System, X-33 Reaction Control System and Thermal Protection System, and International Space Station Environmental Control and Life Support System design. There has been an increasing demand for implementing a combustion simulation capability into GFSSP in order to increase its system level simulation capability of a liquid rocket propulsion system starting from the propellant tanks up to the thruster nozzle for spacecraft as well as launch vehicles. The present work was undertaken for addressing this need. The chemical equilibrium equations derived from the second law of thermodynamics and the energy conservation equation derived from the first law of thermodynamics are solved simultaneously by a Newton-Raphson method. The numerical scheme was implemented as a User Subroutine in GFSSP.
Sozen, Mehmet↗
Transient cycling of nitrogen, organic carbon and oxygen within the free-flowing Columbia River corridor: Linking exposure time dependent biogeochemical reactions to river stage fluctuations (Final project report)
The objective of this project was to develop next-generation techniques for representing the transformations of complex reaction networks like those impacting transient river-corridors, then apply them to develop upscaling tools. The project contributed significantly to the development of Lagrangian “mass transfer particle tracking” (MTPT) tools that are the first numerical framework that explicitly separates mixing and spreading processes; a crucial distinction for accurate representations of reaction rates across scales. The MTPT approach uses an operator splitting scheme where physical transport processes are simulated using classical random walk methods and each particle is treated as a “container” that carries with it any number of chemical species. Mixing between particles is simulated using a colocation-probability based mass transfer kernel and reactions are evaluated on each particle after mixing. The method is stable, accurate, and also allows the explicit modeling of residence time distributions of the individual containers of mass. The MTPT scheme allowed us to explore several research questions related to reactive transport in river corridors and complex reaction networks. We found that it is possible to quantify the exposure time distributions (ETDs) of reactants and that this does suggest some pathways to upscaling. However, comparable approximations can be obtained using simplified (reduced dimensionality) MTPT simulations in less time with similar uncertainty, so development of extensive ETD-based methods was not productive. The major findings are that i) the MTPT schemes are robust and highly accurate across a range of arbitrarily complex reactions, ii) the methods can be efficiently parallelized and the parallel performance characteristics of MTPT are predictable, and iii) the MTPT tools allow simultaneous tracking of residence time. The development of these research tools into efficient software packages continues. The methods are already available to the community because open-source, working examples have been included with all publications.
54 ENVIRONMENTAL SCIENCES↗
Complex Dynamics of Air Traffic Flow
Air traffic in the United States has continued to grow at a steady pace since 1980, except for a dip immediately after the tragic events of September 11, 2001. There are different growth scenarios associated both with the magnitude and the composition of the future air traffic. The Terminal Area Forecast (TAF), prepared every year by the FAA, projects the growth of traffic in the United States. Both Boeing and Airbus publish market outlooks for air travel annually. Although predicting the future growth of traffic is difficult, there are two significant trends: heavily congested major airports continue to see an increase in traffic, and the emergence of regional jets and other smaller aircraft with fewer passengers operating directly between non-major airports. The interaction between air traffic demand and the ability of the system to provide the necessary airport and airspace resources can be modeled as a network. The size of the resulting network varies depending on the choice of its nodes. It would be useful to understand the properties of this network to guide future design and development. Many questions, such as the growth of delay with increasing traffic demand and impact of the en route weather on future air traffic, require a systematic understanding of the properties of the air traffic network. There has been a major advance in the understanding of the behavior of networks with a large number of components. Several theories have been advanced about the evolution of large biological and engineering networks by authors in diversified disciplines like physics, mathematics, biology and computer science. Several networks exhibit a scale-free property in the sense that the probabilistic distribution of their nodes as a function of connections decreases slower than an exponential. These networks are characterized by the fact that a small number of components have a disproportionate influence on the performance of the network. Scale-free networks are tolerant to random failure of components, but are vulnerable to selective attack on components. This paper examines two network representations for the baseline air traffic system. A network defined with the 40 major airports as nodes and with standard flight routes as links has a characteristic scale: all nodes have 60 or more links and no node has more than 460 links. Another network is defined with baseline aircraft routing structure exhibits an exponentially truncated scale-free behavior. Its degree ranges from 2 connections to 2900 connections, and 225 nodes have more than 250 connections. Furthermore, those high-degree nodes are homogeneously distributed in the airspace. A consequence of this scale-free behavior is that the random loss of a single node has little impact, but the loss of multiple high-degree nodes (such as occurs during major storms in busy airspace) can adversely impact the system. Two future scenarios of air traffic growth are used to predict the growth of air traffic in the United States. It is shown that a three-times growth in the overall traffic may result in a ten-times impact on the density of traffic in certain parts of the United States.
Scale-free Networks↗
Powers of magnetic graph matrix: Fourier spectrum, walk compression, and applications
Magnetic graphs, originally developed to model quantum systems under magnetic fields, have recently emerged as a powerful framework for analyzing complex directed networks. Existing research has primarily used the spectral properties of the magnetic graph matrix to study global and stationary network features. However, their capacity to model local, nonequilibrium behaviors, often described by matrix powers, remains largely unexplored. We present a combinatorial interpretation of the magnetic graph matrix powers through directed walk profiles—counts of graph walks indexed by the number of edge reversals. Crucially, we establish that walk profiles correspond to a Fourier transform of magnetic matrix powers. The connection allows exact reconstruction of walk profiles from magnetic matrix powers at multiple discrete potentials, and more importantly, an even smaller number of potentials often suffices for accurate approximate reconstruction in real networks. This shows the empirical compressibility of the information captured by the magnetic matrix. This fresh perspective suggests further applications; for example, we illustrate how powers of the magnetic matrix can identify frustrated directed cycles (e.g., feedforward loops) and can be effectively employed for link prediction by encoding local structural details in directed graphs.
complex networks↗
Analysis of General Structural Networks by Matrix Methods
Transfer matrix method applied in analysis of complex structural networks
COMPOSITE STRUCTURE↗
Deep neural network surrogate for surface complexation model of metal oxide/electrolyte interface
Not Available
Li, Chunhui (ORCID:0000000280931600)↗
Polyelectrolyte Complex-Covalent Interpenetrating Polymer Network Hydrogels
Explore the source record for details and available documents.
Li, Defu↗
Simulation Evaluation of a Large-Scale Implementation of Virtual-Phase Link-Based Model Predictive Control
Traffic congestion is a serious problem in the US, and traffic signal control is one of the effective solutions to congestion. Previous research on model predictive control (MPC)-based traffic signal control showed substantial benefits over conventional methods. This study focused on implementing MPC over a large-scale network with complex intersections and the impact of cycle length, network size, and imperfect state estimation on performances. This study implemented a virtual phase link (VPL)-based model predictive control method which used the number of vehicles in each VPL as input state variables and was suitable for National Electrical Manufacturing Association (NEMA) ring-barrier control. To test the impact of network size, the performance of distributed MPC (36 intersections in the network are divided into five subnetworks) was compared with that of MPC over the full network for a set of cycle lengths. To test the impact of imperfect state estimation, we synthetically infused estimation error and developed two scenarios, MPC-error and MPC-error narrow, which had higher and lower estimation errors, respectively. The performance of these MPC methods was compared with that of the existing time-of-day (TOD) method and an offline method that used Webster's method for split and MULTIBAND for cycle length and offset optimization. Trajectory and linkwise signal performance measures were collected from the simulation to evaluate performance. The distributed MPC method with perfect state estimation had the lowest delay and highest energy efficiency of all the methods. The performance of MPC decreased as the prediction inaccuracy increased. MPC-error had 7% and 11% more delay than MPC-error narrow in the morning and evening peaks, respectively. Overall, simulation results suggest that even with imperfect state estimation, MPC methods will outperform offline methods significantly.
large-scale simulation↗