Exploring order parameters and dynamic processes in disordered systems via variational autoencoders
The local order parameter in a disordered system is explored with convolutional neural networks and variational autoencoder.
36 MATERIALS SCIENCE↗
SEARCH · Engineering Papers
Results for “network dynamics”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Lithospheric Dynamics of Mars: Water, Flow, and Failure
Some of the largest Martian erosive features were influenced by groundwater, and include valley networks, outflow channels, and possibly landslides. We argue that hydrothermal systems attending crustal formation processes were able to drive sufficient groundwater to the surface to form the Noachian southern highlands valley networks, which show a spatial correlation to crustal magnetic anomalies, also results of crustal formation. Hydrothermal activity is quantified through numerical simulations of convection in a porous medium due to the presence of a hot intruded magma chamber. The parameter space includes magma chamber depth, volume, aspect ratio, and host rock permeability and porosity. For permeabilities as low as l0(exp -17) sq m and intrusion volumes as low as 50 km , the total discharge due to intrusions building that part of the southern highlands crust associated with magnetic anomalies spans a comparable range as the inferred discharge from the overlying valley networks. The Hesperian circum-Chryse outflow channels are further manifestations of groundwater discharge and Clifford and Parker (2001) suggest that the large volumes of water required for their formation flows beneath a confining cryosphere from the South Pole where meltwater beneath an ice cap recharges a global aquifer. We argue that recharge occurs instead over the nearby Tharsis aquifer at high obliquity, assisted by cryosphere melting due to volcanic activity. Numerical simulations quantify the strength and duration of outflow discharge given either South Polar or Tharsis recharge. The contribution of South Pole recharge given Clifford and Parker aquifer properties is negligible compared to that of the initial Tharsis inventory. Tharsis recharge, despite the restrictions of improved aquifer properties, makes a significant contribution and, unlike South Pole recharge under the same conditions, fulfills discharge requirements. Groundwater may have influenced long run-out landslide formation in the Valles Marineris. We present simulations of Martian, terrestrial, and lunar landslides that gauge the role of pore fluid pressure in reproducing accurate geometries and run-out with frictional, Bingham, and fluidization rheologies. The results indicate that pore fluid is a necessary component of Martian landslide formation and we suggest scenarios that might explain its presence.
Grimm, Robert E.↗
Field Demonstration of Photonic Antenna Remoting at X-Band in the NASA Deep Space Network
We report on the successful demonstration of antenna remoting at X-band using a low phase noise and high dynamic range fiber optic link in an operating antenna receiving system, while tracking Magellan spacecraft. The insertion of the fiber link into the existing system adds no observable degradation in noise temperature to the system. We compare the experimental results with our theoretical predictions of degradations in noise temperature and dynamic range of the system caused by the insertion of the fiber link.
antenna remoting at X-band high dynamic range fibe↗
Evaluating Scalograms for Seismic Event Denoising
Denoising contaminated seismic signals for later processing is a fundamental problem in seismic signals analysis. The most straightforward denoising approach, using spectral filtering, is not effective when noise and seismic signal occupy the same frequency range. Neural network approaches have shown success denoising local signal when trained on short-time Fourier transform spectrograms (Zhu et al 2018; Tibi et al 2021). Scalograms, a wavelet-based transform, achieved ~15% better reconstruction as measured by dynamic time warping on a seismic waveform test set than spectrograms, suggesting their use as an alternative for denoising. We train a deep neural network on a scalogram dataset derived from waveforms recorded by the University of Utah Seismograph Stations network. We find that initial results are no better than a spectrogram approach, with additional overhead imposed by the significantly larger size of scalograms. A robust exploration of neural network hyperparameters and network architecture was not performed, which could be done in follow on work.
58 GEOSCIENCES↗
Networked HIL Simulation System for Modeling Large-scale Power Systems
This paper presents a network hardware-in-the-loop (HIL) simulation system for modeling large-scale power systems. Researchers have developed many HIL test systems for power systems in recent years. Those test systems can model both microsecond-level dynamic responses of power electronic systems and millisecond-level transients of transmission and distribution grids. By integrating individual HIL test systems into a network of HIL test systems, we can create large-scale power grid digital twins with flexible structures at required modeling resolution that fits for a wide range of system operating conditions. This will not only significantly reduce the need for field tests when developing new technologies but also greatly shorten the model development cycle. In this paper, we present a networked OPAL-RT based HIL test system for developing transmission-distribution coordinative Volt-VAR regulation technologies as an example to illustrate system setups, communication requirements among different HIL test systems, and connection mechanisms. Impacts of communication delays, information exchange cycles, and computing delays are illustrated. Simulation results show that the performance of a networked HIL test system is satisfactory.
digital twin, distribution system, co-simulation, ↗
Formation and dissociation of shear-induced high-energy dislocations: insight from molecular dynamics simulations
Solid-phase processing (SPP) allows one to create complex microstructures, not achievable via thermal processing alone. The resulting structures exhibit a rich palette of defects, both thermal and non-thermal, including defect substructures, such as dislocation networks. It is essential to understand the mechanisms of deformation and defect structure formation to guide SPP towards achieving desired microstructures and material properties. In this study, large-scale molecular dynamics simulations are used to investigate the effects of inhomogeneous strain distribution, that mimics deformation conditions of tribological tests, on the evolution of defects under severe shear deformation in polycrystalline Al. Analysis of defect nucleation and reaction pathways reveals that strong geometric constraints suppress the nucleation and slide of low energy dislocation 1/2$\langle110\rangle${111} but promote the nucleation and slide of high energy dislocations, such as [$1\bar1$0] (001) and 1/2 [$1\bar1$$\bar2$]($1\bar1$1). Further, a rough contact surface, characteristic to tribological tests, imposes an inhomogeneous stress field leading to inhomogeneous defect substructures due to location-dependent activation of slip systems. The results suggest that high-energy dislocations can dominate the evolution of grain structures in highly constrained environments, which should be considered in modeling plastic deformation and grain refinement during SPP.
42 ENGINEERING↗
MODIS and AERONET Characterization of the Global Aerosol
Recently produced daily MODIS aerosol data for the whole year of 2001 are used to show the concentration and dynamics of aerosol over ocean and large parts of the continents. The data were validated against the Aerosol Robotic Network (AERONET) measurements over land and ocean. Monthly averages and a movie based on the daily data are produced and used to demonstrate the spatial and temporal evolution of aerosol. The MODIS wide spectral range is used to distinguish fine smoke and pollution aerosol from coarse dust and salt. The movie produced from the MODIS data provides a new dimension to aerosol observations by showing the dynamics of the system. For example in February smoke and dust emitted from the Sahel and West Africa is shown to travel to the North-East Atlantic. In April heavy dust and pollution from East Asia is shown to travel to North America. In May-June pollution and dust play a dynamical dance in the Arabian Sea and Bay of Bengal. In Aug-September smoke from South Africa and South America is shown to pulsate in tandem and to periodically to be transported to the otherwise pristine Southern part of the Southern Hemisphere.
Kaufman, Yoram↗
Mean Field Theory of Self‐Organizing Memristive Connectomes
Abstract Biological neuronal networks are characterized by nonlinear interactions and complex connectivity. Given the growing impetus to build neuromorphic computers, understanding physical devices that exhibit structures and functionalities similar to biological neural networks is an important step toward this goal. Self‐organizing circuits of nanodevices are at the forefront of the research in neuromorphic computing, as their behavior mimics synaptic plasticity features of biological neuronal circuits. However, an effective theory to describe their behavior is lacking. This study provides for the first time an effective mean field theory for the emergent voltage‐induced polymorphism of circuits of a nanowire connectome, showing that the behavior of these circuits can be explained by a low‐dimensional dynamical equation. The equation can be derived from the microscopic dynamics of a single memristive junction in analytical form. The effective model is tested on experiments of nanowire networks and show that it fits both the potentiation and depression of these synapse‐mimicking circuits. It is shown that this theory applies beyond the case of nanowire networks by formulating a general mean‐field theory of conductance transitions in self‐organizing memristive connectomes.
Caravelli, Francesco↗
Solving differential‐algebraic equations in power system dynamic analysis with quantum computing
Abstract Power system dynamics are generally modeled by high dimensional non‐linear differential‐algebraic equations (DAEs) given a large number of components forming the network. These DAEs' complexity can grow exponentially due to the increasing penetration of distributed energy resources, whereas their computation time becomes sensitive due to the increasing interconnection of the power grid with other energy systems. This paper demonstrates the use of quantum computing algorithms to solve DAEs for power system dynamic analysis. We leverage a symbolic programming framework to equivalently convert the power system's DAEs into ordinary differential equations (ODEs) using index reduction methods and then encode their data into qubits using amplitude encoding. The system non‐linearity is captured by Hamiltonian simulation with truncated Taylor expansion so that state variables can be updated by a quantum linear equation solver. Our results show that quantum computing can solve the power system's DAEs accurately with a computational complexity polynomial in the logarithm of the system dimension. We also illustrate the use of recent advanced tools in scientific machine learning for implementing complex computing concepts, that is, Taylor expansion, DAEs/ODEs transformation, and quantum computing solver with abstract representation for power engineering applications.
computational complexity↗
Minimization of Disorder as a Key Design Principle for Natural Sizes of Light Harvesting 2 Complexes
The light harvesting 2 (LH2) complex of purple bacteria has excellent energy conversion efficiency. Clarifying the design principle behind such efficiency at the atomistic level is crucial for understanding its structure–function relationship and can be utilized for the design of artificial light harvesting systems. To this end, we conducted comprehensive computational investigation of the dynamical and statistical nature of electronic excited states of pigment molecules in a natural LH2 complex with 9-fold symmetry and its two non-natural in silico analogues with 6- and 12-fold symmetries. To ensure reliable and efficient all-atomistic molecular dynamics simulations, we combined a well established interpolation approach for the construction of the potential energy surface with a neural network machine learning approach. Outcomes of these calculations clarify that non-natural forms of LH2-type complexes have significantly larger quasistatic disorder than those for the natural one. In addition, non-natural systems have more disruptions of the hydrogen bonding, underscoring its crucial role for reducing the disorder. On the other hand, local environmental dynamics are relatively insensitive to the structural changes although there is moderate enhancement in the anharmonic or interatomic components for the synthetic ones. These findings based on all-atomistic simulations provide direct computational evidence that the structure and sizes of natural LH2 complexes are designed to minimize the energetic disorder. We analyze quantitative implications of these for the energy transferring capability of the LH2 complex.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Decentralized Filtering Adaptive Neural Network Control for Uncertain Switched Interconnected Nonlinear Systems
This article presents a novel decentralized filtering adaptive neural network control framework for uncertain switched interconnected nonlinear systems. Each subsystem has its own decentralized controller based on the established decentralized state predictor. For each subsystem, the nonlinear uncertainties are approximated by a Gaussian radial basis function (GRBF) neural network incorporated with a piecewise constant adaptive law, where the adaptive law will update adaptive parameters from the error dynamics between the host system and the decentralized state predictor by discarding the unknowns, whereas a decentralized filtering control law is derived to cancel both local and mismatched uncertainties from other subsystems, as well as achieve the local objective tracking of the host system. The achievement of global objective depends on the achievement of local objective for each subsystem. The matched uncertainties are canceled directly by adopting their opposite in the control signal, whereas a dynamic inversion of the system is required to eliminate the effect of the mismatched uncertainties on the output. By exploiting the average dwell time principle, the error bounds between the real system and the virtual reference system, which defines the best performance that can be achieved by the closed-loop system, are derived. A numerical example is given to illustrate the effectiveness of the decentralized filtering adaptive neural network control architecture by comparing against the model reference adaptive control (MRAC).
Average dwell time, decentralized, filtering adapt↗
NeMO-Net: The Neural Multi-Modal Observation and Training Network for Global Coral Reef Assessment
In the past decade, coral reefs worldwide have experienced unprecedented stresses due to climate change, ocean acidification, and anthropomorphic pressures, instigating massive bleaching and die-off of these fragile and diverse ecosystems. Furthermore, remote sensing of these shallow marine habitats is hindered by ocean wave distortion, refraction and optical attenuation, leading invariably to data products that are often of low resolution and signal-to-noise (SNR) ratio. However, recent advances in UAV and Fluid Lensing technology have allowed us to capture multispectral 3D imagery of these systems at sub-cm scales from above the water surface, giving us an unprecedented view of their growth and decay. Exploiting the fine-scaled features of these datasets, machine learning methods such as MAP, PCA, and SVM can not only accurately classify the living cover and morphology of these reef systems (below 8 percent error), but are also able to map the spectral space between airborne and satellite imagery, augmenting and improving the classification accuracy of previously low-resolution datasets. We are currently implementing NeMO-Net, the first open-source deep convolutional neural network (CNN) and interactive active learning and training software to accurately assess the present and past dynamics of coral reef ecosystems through determination of percent living cover and morphology. NeMO-Net will be built upon the QGIS platform to ingest UAV, airborne and satellite datasets from various sources and sensor capabilities, and through data-fusion determine the coral reef ecosystem makeup globally at unprecedented spatial and temporal scales. To achieve this, we will exploit virtual data augmentation, the use of semi-supervised learning, and active learning through a tablet platform allowing for users to manually train uncertain or difficult to classify datasets. The project will make use of Pythons extensive libraries for machine learning, as well as extending integration to GPU and High-End Computing Capability (HECC) on the Pleiades supercomputing cluster, located at NASA Ames. The project is being supported by NASAs Earth Science Technology Office (ESTO) Advanced Information Systems Technology (AIST-16) Program.
NeMO-Net↗
Entropy is an important design principle in the photosystem II supercomplex
Photosystem II (PSII) can achieve near-unity quantum efficiency of light harvesting in ideal conditions and can dissipate excess light energy as heat to prevent the formation of reactive oxygen species (ROS) under light stress. Understanding how this pigment–protein complex accomplishes these opposing goals is a topic of great interest that has so far been explored primarily through the lens of the system energetics. Despite PSII’s known flat energy landscape, a thorough consideration of the entropic effects on energy transfer in PSII is lacking. In this work, we aim to discern the free energetic design principles underlying the PSII energy transfer network. To accomplish this goal, we employ a structure-based rate matrix and compute the free energy terms in time following a specific initial excitation to discern how entropy and enthalpy drive ensemble system dynamics. We find that the interplay between the entropy and enthalpy components differ among each protein subunit, which allows each subunit to fulfill a unique role in the energy transfer network. This individuality ensures that PSII can accomplish efficient energy trapping in the reaction center (RC), effective nonphotochemical quenching (NPQ) in the periphery, and robust energy trapping in the other-monomer RC if the same-monomer RC is closed. We also show that entropy, in particular, is a dynamically tunable feature of the PSII free energy landscape accomplished through regulation of LHCII binding. These findings help rationalize natural photosynthesis and provide design principles for more efficient solar energy harvesting technologies.
59 BASIC BIOLOGICAL SCIENCES↗
Reevaluating Suitability Estimates Based on Dynamics of Cropland Expansion in the Brazilian Amazon
Agricultural suitability maps are a key input for land use zoning and projections of cropland expansion. Suitability assessments typically consider edaphic conditions, climate, crop characteristics, and sometimes incorporate accessibility to transportation and market infrastructure. However, correct weighting among these disparate factors is challenging, given rapid development of new crop varieties, irrigation, and road networks, as well as changing global demand for agricultural commodities. Here, we compared three independent assessments of cropland suitability to spatial and temporal dynamics of agricultural expansion in the Brazilian state of Mato Grosso during 2001 2012. We found that areas of recent cropland expansion identified using satellite data were generally designated as low to moderate suitability for rainfed crop production. Our analysis highlighted the abrupt nature of suitability boundaries, rather than smooth gradients of agricultural potential, with little additional cropland expansion beyond the extent of the flattest areas (0-2% slope). Satellite-based estimates of the interannual variability in the use of existing crop areas also provided an alternate means to assess suitability. On average, cropland areas in the Cerrado biome had higher utilization (84%) than croplands in the Amazon region of northern Mato Grosso (74%). Areas of more recent expansion had lower utilization than croplands established before 2002, providing empirical evidence for lower suitability or alternative management strategies (e.g., pasture soya rotations) for lands undergoing more recent land use transitions. This unplanted reserve constitutes a large area of potentially available cropland (PAC)without further expansion, within the management limits imposed for pest management and fallow cycles. Using two key constraints on future cropland expansion, slope and restrictions on further deforestation of Amazon or Cerrado vegetation, we found little available flat land for further legal expansion of crop production in Mato Grosso. Dynamics of cropland expansion from more than a decade of satellite observations indicated narrow ranges of suitability criteria, restricting PAC under current policy conditions, and emphasizing the advantages of field-scale information to assess suitability and utilization.
Morton, Douglas C.↗
Application of Global Positioning Measurements to Continental Collision in the Pamir-Tien Shan Region, Central Asia and GPS Survey of the Western Tien Shan
In this report, we summarize what we have accomplished with five years of funding from NASA under its DOSE program, and with a comparable level of funding from NSF. We describe the development of a GPS network in the Tien Shan of Kyrgyzstan and Kazakhstan of the former Soviet Union, the analysis of data, and the main results. This discussion presents the state of the current network, which has grown significantly since the termination of our DOSE grants, with continued support both from NSF through its continental dynamics program and from NASA's SENH program. Although grants from NASA's DOSE program did not support this growth not directly, it did so indirectly by building the infrastructure that has enabled further expansion in an area where otherwise there would be only a small GPS presence. We note how the network has grown over time, but the emphasis of this discussion is on the quantity and quality of measurements that we have made.
Hamburger, Michael W.↗
Respecting causality for training physics-informed neural networks
While the popularity of physics-informed neural networks (PINNs) is steadily rising, to this date PINNs have not been successful in simulating dynamical systems whose solution exhibits multi-scale, chaotic or turbulent behavior. In this work we attribute this shortcoming to the inability of existing PINNs formulations to respect the spatio-temporal causal structure that is inherent to the evolution of physical systems. We argue that this is a fundamental limitation and a key source of error that can ultimately steer PINN models to converge towards erroneous solutions. We address this pathology by proposing a simple re-formulation of PINNs loss functions that can explicitly account for physical causality during model training. We demonstrate that this simple modification alone is enough to introduce significant accuracy improvements, as well as a practical quantitative mechanism for assessing the convergence of a PINNs model. Here we provide state-of-the-art numerical results across a series of benchmarks for which existing PINNs formulations fail, including the chaotic Lorenz system, the Kuramoto–Sivashinsky equation in the chaotic regime, and the Navier–Stokes equations. To the best of our knowledge, this is the first time that PINNs have been successful in simulating such systems, introducing new opportunities for their applicability to problems of industrial complexity.
97 MATHEMATICS AND COMPUTING↗
A unified non-equilibrium phase change model for injection flow modeling
The homogenous relaxation model (HRM) is one of the most widely used models to describe the liquid- gas phase transition. However, in its original formulation, it is unable to handle multispecies vapor-liquid equilibrium (VLE), which limits its applicability to single-component fluids. In this work, a unified non-equilibrium phase change model that considers the VLE of multicomponent mixtures is proposed building upon the HRM's structure. A time factor is introduced to mimic the effect of different phase change timescales due to different mechanisms, e.g., cavitation, flash-boiling, and evaporation. Here to assess the model's performance, computational fluid dynamics simulations of the internal and near-nozzle injection flow of the Engine Combustion Network's Spray G injector were performed using the nine-component PACE-20 fuel with both the unified model and the original HRM. The predicted fuel density in the near-nozzle region matched well with X-ray tomography measurements. The simulation results indicated that, whereas the HRM failed to capture the vaporization due to convective mixing between the fuel and ambient gas, the unified model performed well in predicting the mixing-driven vaporization and the corresponding evaporative cooling. Further comparisons using the nine-component fuel formula and a single-component fuel surrogate demonstrated the unified model's ability to predict preferential vaporization, which affects the predictions of local mixture composition and rate of vaporization. Finally, it is shown that the unified model is capable of representing multiple phase change mechanisms, and the relaxation time factor plays an important role in determining the degree of phase change due to the different mechanisms.
33 ADVANCED PROPULSION SYSTEMS↗
Cholesterol-induced suppression of Kir2 channels is mediated by decoupling at the inter-subunit interfaces
Cholesterol is a major regulator of multiple types of ion channels. Although there is increasing information about cholesterol binding sites, the molecular mechanisms through which cholesterol binding alters channel function are virtually unknown. In this study, we used a combination of Martini coarse-grained simulations, a network theory-based analysis, and electrophysiology to determine the effect of cholesterol on the dynamic structure of the Kir2.2 channel. We found that increasing membrane cholesterol reduced the likelihood of contact between specific regions of the cytoplasmic and transmembrane domains of the channel, most prominently at the subunit-subunit interfaces of the cytosolic domains. This decrease in contact was mediated by pairwise interactions of specific residues and correlated to the stoichiometry of cholesterol binding events. The predictions of the model were tested by site-directed mutagenesis of two identified residues—V265 and H222—and high throughput electrophysiology.
59 BASIC BIOLOGICAL SCIENCES↗