Graph Neural Network Guided Evolutionary Search of Grain Boundaries in 2D Materials
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Computational predictions of vaporization properties aid the de novo design of green chemicals, including clean alternative fuels, working fluids for efficient thermal energy recovery, and polymers that are easily degradable and recyclable.
Here, we present a computational framework that facilitates the construction, instantiation, and analysis of large-scale optimization and simulation applications of coupled energy networks. The framework integrates the optimization modeling package PLASMO and the simulation package DMNetwork (built around PETSc). These tools use a common graphbased abstraction that enables us to achieve compatibility between data structures and to build applications that use network models of different physical fidelity. We also describe how to embed these tools within complex computational workflows using SWIFT, which is a tool that facilitates parallel execution of multiple simulation runs and management of input and output data. We discuss how to use these capabilities to target coupled natural gas and electricity systems.
Reducing the duration and frequency of blackouts in remote communities poses an engineering challenge for grid operators. Outage effects can also be mitigated locally through microgrids. This paper develops a systematic procedure to account for these challenges by creating microgrids prioritizing high value assets within vulnerable communities. Nighttime satellite imagery is used to identify vulnerable communities. Using an asset classification and rating system, multi-asset clusters within these communities are prioritized. Infrastructure data, geographic information systems, satellite imagery, and spectral clustering are used to form and rank microgrid candidates. A microgrid sizing algorithm is included to guide through the microgrid design process. Finally, an application of the methodology is presented using real event, location, and asset data.
We present a new technique for overcoming confusion noise in deep far-infrared Herschel space telescope images making use of prior information from shorter λ < 2 μm wavelengths. For the deepest images obtained by Herschel, the flux limit due to source confusion is about a factor of three brighter than the flux limit due to instrumental noise and (smooth) sky background. We have investigated the possibility of de-confusing simulated Herschel PACS 160 μm images by using strong Bayesian priors on the positions and weak priors on the flux of sources. We find the blended sources and group them together and simultaneously fit their fluxes. We derive the posterior probability distribution function of fluxes subject to these priors through Monte Carlo Markov Chain (MCMC) sampling by fitting the image. Assuming we can predict the FIR flux of sources based on the ultraviolet-optical part of their SEDs to within an order of magnitude, the simulations show that we can obtain reliable fluxes and uncertainties at least a factor of three fainter than the confusion noise limit of 3σ {sub c} = 2.7 mJy in our simulated PACS-160 image. This technique could in principle be used to mitigate the effects of source confusion in any situation where one has prior information of positions and plausible fluxes of blended sources. For Herschel, application of this technique will improve our ability to constrain the dust content in normal galaxies at high redshift.
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The transition to a smarter grid is empowered by enhanced sensor deployments and smart metering infrastructure in the distribution system. Measurements from these sensors and meters can be used for many applications, including distribution system state estimation (DSSE). However, these measurements are typically sampled at different rates and could be intermittent due to losses during the aggregation process. These multi timescale measurements should be reconciled in real-time to perform accurate grid monitoring. This paper tackles this problem by formulating a recursive multi-task Gaussian process (RGP-G) approach that sequentially aggregates sensor measurements. Specifically, we formulate a recursive multi-task GP with and without network connectivity information to reconcile the multi time-scale measurements in distribution systems. Here, the proposed framework is capable of aggregating the multi-time scale measurements batch-wise or in real-time. Following the aggregation of the multi time-scale measurements, the spatial states of the consistent time-series are estimated using matrix completion based DSSE approach. Simulation results on IEEE 37 and IEEE 123 bus test systems illustrate the efficiency of the proposed methods from the standpoint of both multi time-scale data aggregation and DSSE.
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This report discusses student summer work, including developing a "GNN-assisted block-based and data-driven sampling method" and provides ideas for future work.
STIG is a revolutionary cybersecurity tool developed by researchers at the U. S. Department of Energy's Idaho National Laboratory and it is a software that allows utility owners and operators to easily visualize, create, and edit cyberthreat intelligence information. STIG uses Structured Threat Information eXpression (STIX) and converts complex data on cybersecurity vulnerabilities into a visualization that is easy to understand and act on. With STIG, utility owners and operators have a common system for sharing threat intelligence information, thus increasing the chances of detecting and mitigating cyber exploits before they lead to a cyberattack.