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At least 253 records · Page 14

Predicting Metabolic Reaction Networks with Perturbation-Theory Machine Learning (PTML) Models

Background: Checking the connectivity (structure) of complex Metabolic Reaction Networks(MRNs) models proposed for new microorganisms with promising properties is an importantgoal for chemical biology. Objective: In principle, we can perform a hand-on checking (Manual Curation). However, this is achallenging task due to the high number of combinations of pairs of nodes (possible metabolic reactions). Results: The CPTML linear model obtained using the LDA algorithm is able to discriminate nodes(metabolites) with the correct assignation of reactions from incorrect nodes with values of accuracy,specificity, and sensitivity in the range of 85-100% in both training and external validation dataseries. Methods: In this work, we used Combinatorial Perturbation Theory and Machine Learning techniquesto seek a CPTML model for MRNs >40 organisms compiled by Barabasis’ group. First, wequantified the local structure of a very large set of nodes in each MRN using a new class of node indexcalled Markov linear indices fk. Next, we calculated CPT operators for 150000 combinationsof query and reference nodes of MRNs. Last, we used these CPT operators as inputs of differentML algorithms. Conclusion: Meanwhile, PTML models based on Bayesian network, J48-Decision Tree and RandomForest algorithms were identified as the three best non-linear models with accuracy greaterthan 97.5%. The present work opens the door to the study of MRNs of multiple organisms usingPTML models.

Pharmacology & Pharmacy↗

Towards a Compositional SPIN

This paper discusses our initial experience with introducing automated assume-guarantee verification based on learning in the SPIN tool. We believe that compositional verification techniques such as assume-guarantee reasoning could complement the state-reduction techniques that SPIN already supports, thus increasing the size of systems that SPIN can handle. We present a "light-weight" approach to evaluating the benefits of learning-based assume-guarantee reasoning in the context of SPIN: we turn our previous implementation of learning for the LTSA tool into a main program that externally invokes SPIN to provide the model checking-related answers. Despite its performance overheads (which mandate a future implementation within SPIN itself), this approach provides accurate information about the savings in memory. We have experimented with several versions of learning-based assume guarantee reasoning, including a novel heuristic introduced here for generating component assumptions when their environment is unavailable. We illustrate the benefits of learning-based assume-guarantee reasoning in SPIN through the example of a resource arbiter for a spacecraft. Keywords: assume-guarantee reasoning, model checking, learning.

Pasareanu, Corina S.↗

Hydrothermal Liquefaction and Upgrading of Municipal Wastewater Treatment Plant Sludge: A Preliminary Techno-Economic Analysis

A preliminary process model and techno-economic analysis (TEA) was completed for fuel produced from hydrothermal liquefaction (HTL) of sludge waste from a municipal wastewater treatment plant (WWTP) and subsequent biocrude upgrading. The model is adapted from previous work by Jones et al. (2014) for algae HTL, using experimental data generated in fiscal year 2015 (FY15) bench-scale HTL testing of sludge waste streams. Testing was performed on sludge samples received from MetroVancouver’s Annacis Island WWTP (Vancouver, B.C.) as part of a collaborative project with the Water Environment and Reuse Foundation (WERF). The full set of sludge HTL testing data from this effort will be documented in a separate report to be issued by WERF. This analysis is based on limited testing data and therefore should be considered preliminary. Future refinements are necessary to improve the robustness of the model, including a cross-check of modeled biocrude components with the experimental GCMS data and investigation of equipment costs most appropriate at the smaller scales used here. Environmental sustainability metrics analysis is also needed to understand the broader impact of this technology pathway. The base case scenario for the analysis consists of 10 HTL plants, each processing 100 dry U.S. ton/day (92.4 ton/day on a dry, ash-free basis) of sludge waste and producing 234 barrel per stream day (BPSD) biocrude, feeding into a centralized biocrude upgrading facility that produces 2,020 barrel per standard day of final fuel. This scale was chosen based upon initial wastewater treatment plant data collected by the resource assessment team from the EPA’s Clean Watersheds Needs Survey database (EPA 2015a) and a rough estimate of what the potential sludge availability might be within a 100-mile radius. In addition, we received valuable feedback from the wastewater treatment industry as part of the WERF collaboration that helped form the basis for the selected HTL and upgrading plant scales and feedstock credit (current cost of disposal). It is assumed that the sludge is currently disposed of at $16.20/wet ton ($46/dry ton at 35% solids; $50/ton dry, ash-free basis) and this is included as a feedstock credit in the operating costs. The base case assumptions result in a minimum biocrude selling price of $3.8/gge and a minimum final upgraded fuel selling price of $4.9/gge. Several areas of process improvement and refinements to the analysis have the potential to significantly improve economics relative to the base case: • Optimization of HTL sludge feed solids content • Optimization of HTL biocrude yield • Optimization of HTL reactor liquid hourly space velocity (LHSV) • Optimization of fuel yield from hydrotreating • Combined large and small HTL scales specific to regions (e.g., metropolitan and suburban plants) Combined improvements believed to be achievable in these areas can potentially reduce the minimum selling price of biocrude and final upgraded fuel by about 50%. Further improvements may be possible through recovery of higher value components from the HTL aqueous phase, as being investigated under separate PNNL projects. Upgrading the biocrude at an existing petroleum refinery could also reduce the MFSP, although this option requires further testing to ensure compatibility and mitigate risks to a refinery. And finally, recycling the HTL aqueous phase product stream back to the headworks of the WWTP (with no catalytic hydrothermal gasification treatment) can significantly reduce cost. This option is uniquely appropriate for application at a water treatment facility but also requires further investigation to determine any technical and economic challenges related to the extra chemical oxygen demand (COD) associated with the recycled water.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Hydrothermal Liquefaction and Upgrading of Municipal Wastewater Treatment Plant Sludge: A Preliminary Techno-Economic Analysis, Rev.1

A preliminary process model and techno-economic analysis (TEA) was completed for fuel produced from hydrothermal liquefaction (HTL) of sludge waste from a municipal wastewater treatment plant (WWTP) and subsequent biocrude upgrading. The model is adapted from previous work by Jones et al. (2014) for algae HTL, using experimental data generated in fiscal year 2015 (FY15) bench-scale HTL testing of sludge waste streams. Testing was performed on sludge samples received from Metro Vancouver’s Annacis Island WWTP (Vancouver, B.C.) as part of a collaborative project with the Water Environment and Reuse Foundation (WERF). The full set of sludge HTL testing data from this effort will be documented in a separate report to be issued by WERF. This analysis is based on limited testing data and therefore should be considered preliminary. In addition, the testing was conducted with the goal of successful operation, and therefore does not represent an optimized process. Future refinements are necessary to improve the robustness of the model, including a cross-check of modeled biocrude components with the experimental GCMS data and investigation of equipment costs most appropriate at the relatively small scales used here. Environmental sustainability metrics analysis is also needed to understand the broader impact of this technology pathway. The base case scenario for the analysis consists of 10 HTL plants, each processing 100 dry U.S. ton/day (92.4 ton/day on a dry, ash-free basis) of sludge waste and producing 234 barrel per stream day (BPSD) biocrude, feeding into a centralized biocrude upgrading facility that produces 2,020 barrel per standard day of final fuel. This scale was chosen based upon initial wastewater treatment plant data collected by PNNL’s resource assessment team from the EPA’s Clean Watersheds Needs Survey database (EPA 2015a) and a rough estimate of what the potential sludge availability might be within a 100-mile radius. In addition, we received valuable feedback from the wastewater treatment industry as part of the WERF collaboration that helped form the basis for the selected HTL and upgrading plant scales and feedstock credit (current cost of disposal). It is assumed that the sludge is currently disposed of at $16.20/wet ton ($46/dry ton at 35% solids; $50/ton dry, ash-free basis) and this is included as a feedstock credit in the operating costs. The base case assumptions result in a minimum biocrude selling price of $3.8/gge and a minimum final upgraded fuel selling price of $4.9/gge. Several areas of process improvement and refinements to the analysis have the potential to significantly improve economics relative to the base case: •Optimization of HTL sludge feed solids content •Optimization of HTL biocrude yield •Optimization of HTL reactor liquid hourly space velocity (LHSV) •Optimization of fuel yield from hydrotreating •Combined large and small HTL scales specific to regions (e.g., metropolitan and suburban plants) Combined improvements believed to be achievable in these areas can potentially reduce the minimum selling price of biocrude and final upgraded fuel by about 50%. Further improvements may be possible through recovery of higher value components from the HTL aqueous phase, as being investigated under separate PNNL projects. Upgrading the biocrude at an existing petroleum refinery could also reduce the MFSP, although this option requires further testing to ensure compatibility and mitigation of risks to a refinery. And finally, recycling the HTL aqueous phase product stream back to the headworks of the WWTP (with no catalytic hydrothermal gasification treatment) can significantly reduce cost. This option is uniquely appropriate for application at a water treatment facility but also requires further investigation to determine any technical and economic challenges related to the extra chemical oxygen demand (COD) associated with the recycled water.

09 BIOMASS FUELS↗

Design of Software for Design of Finite Element for Structural Analysis

The concepts of software engineering which allow a user of the finite element method to describe a model, to collect and to check the model data in a data base as well as to form the matrices required for a finite element calculation are examined. Next the components of the model description are conceived including the mesh tree, the topology, the configuration, the kinematic boundary conditions, the data for each element, and the loads. The possibilities for description and review of the data are considered. The concept of the segments for the modularization of the programs follows the components of the model description. The significance of the mesh tree as a globular guiding structure will be understood in view of the principle of the unity of the model, the mesh tree, and the data base. The user-friendly aspects of the software system will be summarized: the principle of language communication, the data generators, error processing, and data security.

Helfrich, Reinhard↗

Nanosecond Transient Validation of Surge Arrester Models to Predict Electromagnetic Pulse Response

The impact of high-altitude electromagnetic pulse events on the electric grid is not fully understood, and validated modeling of mitigations, such as lightning surge arresters (LSAs) is necessary to predict the propagation of very fast transients on the grid. Experimental validation of high frequency models for surge arresters is an active area of research. Further, this article serves to experimentally validate a previously defined ZnO LSA model using four metal-oxide varistor pucks and nanosecond scale pulses to measure voltage and current responses. The SPICE circuit models of the pucks showed good predictability when compared to the measured arrester response when accounting for a testbed inductance of approximately 100 nH. Additionally, the comparatively high capacitance of low-profile arresters show a favorable response to high-speed transients that indicates the potential for effective electromagnetic pulse mitigation with future materials design.

42 ENGINEERING↗

Preliminary Gap Analysis of Existing IEEE 1547 and IEEE 2800 Standards Towards GFM Technology

This document describes the tests that are conducted on generic grid-forming (GFM) distributed energy resource (DER) and inverter-based resource (IBR) models to check if the performance of the model aligns respectively with the IEEE Std 1547 TM -2018 and IEEE Std 2800 TM -2022 requirements. For the IEEE Std 1547 TM -2018 requirements, specifically the tests related to volt-var requirements and frequency droop requirements are conducted. For the IEEE Std 2800 TM -2022 requirements, specifically the tests conducted are related to reactive- power-voltage control requirements, active-power-frequency response requirements, voltage disturbance ride through requirements and phase jump ride through requirements. This is an initial draft/document. There are many more tests still yet to be done to further verify if the existing standards have a gap or inadvertent barrier to GFM technology.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Stability of Castering Wheels for Aircraft Landing Gears, Special Report

In many installations of castering rubber-tired wheels there is a tendency for the wheel to oscillate violently about the spindle axis. This phenomenon, popularly called 'shimmy,' has occurred in some airplane tail wheels and has been corrected in two ways: first by the application of friction in the spindles of the tail wheels; and, second, by locking the wheels while taxiing at high speeds. Shimmy is common with the large wheels used as nose wheels in tricycle landing gears and, since it is impossible to lock the wheels, friction in the nose-wheel spindle has been the sole means of correction. Because the nose wheel is larger than the conventional tail wheel and usually carries a greater load, the larger amounts of spindle friction necessary to prevent shimmy are objectionable. the present paper presents a theoretical and experimental study of the problem of the stability of castering wheels for airplane landing gears. On the basis of simplified assumptions induced from experimental observations, a theoretical study has been made of the shimmy of castering wheels. The theory is based on the discovery of a phenomenon called 'kinematic shimmy' and is compared quantitatively with the results of model experiments. Experimental checks, using a model having low-pressure tires, are reported and the applicability of the results to full scale is discussed. Theoretical methods of estimating the spindle viscous damping and spindle solid friction necessary to avoid shimmy - lateral freedom - is introduced.

Kantrowitz, Arthur↗

Approach to Quality Assurance for Complex Environmental Modeling - 20407

A strong Quality Assurance (QA) program for complex environmental modeling is essential for regulatory and public acceptance and trust, but it does not have to be onerous. Neptune and Company, Inc. (Neptune) has developed a strong QA program that improves transparency, traceability, reproducibility, and therefore, defensibility and trust. Neptune's QA program has evolved over the past 27 years, transitioning from an ad hoc QA program, to a program that is currently Nuclear Quality Assurance-1 (NQA-1) compliant, and will soon be NQA-1/DOE approved for DOE EM modeling work. In addition, Neptune is a qualified laboratory assessor and qualified auditor for reference materials, a proficiency testing provider, and fully complies with the Environmental Protection Agency (EPA) QA program. Neptune's President and CEO, Kelly Black, was recently named the Chairperson of the International Organization for Standardization (ISO) Technical Committee 69, Application of Statistical Methods. A strong QA program has been developed for Neptune's radiological performance assessment (PA) program. Although pieces of their QA program are currently in development, their current program includes document control using Subversion, issue tracking and work flow tracking using JIRA, and transparency and traceability via a system of 'calc sheets' for documentation of all data analysis and modeling combined with 'check print' documentation of QA checking, and rigorous model testing and configuration control. All work is reviewed by an independent subject matter expert who is not associated with the collection and assembly of information, for an internal peer review. The program is enforced with a handful of Standard Operation Procedures (SOPs), Work Instructions, QA Project Plans (QAPPs), and Quality Management Plans (QMPs) that are updated frequently, with required annual training and acknowledgment. In addition, effective communication of modeling approaches and results to clients and stakeholders are integral to their QA program. Many of their models are built using the GoldSim modeling platform, for which their models are well-known for their level of transparency, documentation, and QA traceability. This level of QA is also applied to their process-level models. Neptune has taken some lessons learned from the extremely rigorous QA program required for the Yucca Mountain Project (YMP), and imposed the YMP requirements of complete traceability, transparency, and reproducibility, but avoided the inflexibility of a QA program that likely contributed to the suspect e-mails in 2005 that resulted in loss of trust in the YMP, and in nuclear waste disposal (and nuclear power) in general. There are far too many examples of loss of public trust due to poor QA that could have been easily avoided with a simple and straight-forward QA program combined with stakeholder engagement. The purpose of this paper is to share features of Neptune's Radiological Performance Assessment program QA program, and some of their QA related lessons learned over the past 27 years of QA for complex environmental modeling. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Quantification of uncertainties in coupled material degradation processes - High temperature, fatigue and creep

This paper describes the development of methodology that provides for quantification of uncertainties in lifetime strength of aerospace materials subjected to a number of diverse effects. A probabilistic material degradation model, in the form of a randomized multifactor interaction equation, has been postulated for lifetime strength degradation of structural components of aerospace propulsion systems. The model includes effects that typically reduce lifetime strength and may include temperature, mechanical fatigue, creep and others. The paper also includes the analysis of experimental data from the open literature for Inconel 718. These data are used to provide an initial check for model validity, as well as for calibration of the model's empirical material constants. The model validity check and calibration is carried out for three effects, namely, high temperature, mechanical fatigue and creep.

Boyce, L.↗

Verification of Electromagnetic Physics Models for Parallel Computing Architectures in the GeantV Project

An intensive R&D and programming effort is required to accomplish new challenges posed by future experimental high-energy particle physics (HEP) programs. The GeantV project aims to narrow the gap between the performance of the existing HEP detector simulation software and the ideal performance achievable, exploiting latest advances in computing technology. The project has developed a particle detector simulation prototype capable of transporting in parallel particles in complex geometries exploiting instruction level microparallelism (SIMD and SIMT), task-level parallelism (multithreading) and high-level parallelism (MPI), leveraging both the multi-core and the many-core opportunities. We present preliminary verification results concerning the electromagnetic (EM) physics models developed for parallel computing architectures within the GeantV project. In order to exploit the potential of vectorization and accelerators and to make the physics model effectively parallelizable, advanced sampling techniques have been implemented and tested. In this paper we introduce a set of automated statistical tests in order to verify the vectorized models by checking their consistency with the corresponding Geant4 models and to validate them against experimental data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

EMT data generation

The integration of inverter-based resources (IBRs) in power systems is accelerating, bringing with it significant benefits such as reduced greenhouse gas emissions, improved grid resilience, and increased energy independence. Despite these advantages, the widespread adoption of IBRs introduces several challenges, including issues related to grid stability, increased operational complexity, and the need for updated regulatory frameworks. To address these challenges, IEEE released Standard 2800 in 2022, which sets forth the necessary interconnection capabilities and performance criteria for IBRs connected to transmission and sub-transmission systems. This standard outlines the performance requirements to ensure the reliable integration of IBRs into the bulk power system. Furthermore, in 2023, the North American Electric Reliability Corporation (NERC) published a reliability guideline for electromagnetic transient (EMT) modeling of BPS-connected IBRs. This guideline provides recommendations for developing EMT model requirements, performing model quality checks, and implementing verification practices specifically for EMT models representing BPS-connected inverter-based resources in reliability studies conducted by transmission planners and planning coordinators. These standards and guidelines have a profound impact on EMT studies for transmission networks, influencing system stability analyses, grid recovery and resynchronization processes, fault ride-through evaluations, protection and coordination strategies, advanced control methodologies, and the inclusion of IBRs in transient models of transmission networks. As a result, the generation of EMT data is crucial for conducting various transient-based studies to understand the impact of IBRs. EMT data generation use cases serve as the basis for scenarios in event detection and identification use cases, providing comprehensive details about EMT data generation for transmission grids with inverter-based resources. These use cases supply sufficient training and validation datasets for subsequent EMT analysis algorithms.

Xia, Qianxue↗

CSEM Fluid Monitoring Methodology Using Real Data Examples

Conference presentation at International Meeting for Applied Geoscience & Energy (IMAGE), Houston, Texas, August 28 – September 1, 2023. Using field data from hydrocarbon and CO 2 applications, we illustrate the importance of a workflow and adaption to the target on hand. Verifying the geophysical acquisition and processing steps with 3D modeling and checking them against a 3D anisotropic log-derived model maintains confidence in the workflow and minimizes the influence on the data. This allows us to predict data validity and to certify the data with respect to the borehole logs.

20 FOSSIL-FUELED POWER PLANTS↗

The solar abundance of silver.

Low noise, high resolution spectral scans have been obtained for the resonance lines of silver (3280.7 and 3382.9 A), observed at the center of the solar disk. The data are analyzed by the method of spectral synthesis, wherein we employ a model atmosphere resembling Elste's (1968) model, and checked by limb-darkening observations. The present kinematical model adopts a macroturbulent velocity of 2.2 km/sec and no microturbulence. With this model line profiles can be reproduced without invoking implausibly large collisional damping constants. The silver abundance turns out to be a factor of four under the value found from the Type I carbonaceous chondrites.

Ross, J. E.↗

Comprehensive stellar population models and the disentanglement of age and metallicity effects

The construction of detailed models for intermediate and old stellar populations is described. Input parameters include metallicity (-2 less than (Fe/H) less than 0.5), single-burst age (between 1.5 and 17 Gyr), and initial mass function (IMF) exponent. Quantities output include broadband magnitudes, spectral energy distributions, surface brightness fluctuation magnitudes, and a suite of 21 absorption feature indices. The models are checked against a wide variety of available observations. Examinations of model output yield the following conclusions. (1) If the percentage change delta age/delta Z approximately equals 3/2 for two populations, they will appear almost identical in most indices. A few indices break this degeneracy by being either more abundance sensitive (Fe4668, Fe5015, Fe5709, and Fe5782) or more age sensitive (G4300, H beta, and presumably higher order Balmer lines) than usual. (2) Present uncertainties in stellar evolution are of the same magnitude as the effects of IMF and Y in the indices studied. (3) Changes in abundance ratios (like (Mg/Fe)) are predicted to be readily apparent in the spectra of old stellar populations. (4) The I-band flux of a stellar population is predicted to be nearly independent of metallicity and only modestly sensitive to age. The I band is therefore recommended for standard candle work or studies of M/L in galaxies. Other conclusions stem from this work. (1) Intercomparison of models and observations of two TiO indices seem to indicate variation of the (V/Ti) ratio among galaxies, but it is not clear how this observation ties into the standard picture of chemical enrichment. (2) Current estimates of (Fe/H) for the most metal-rich globulars that are based on integrated indices are probably slightly too high. (3) Colors of population models from different authors exhibit a substantial range. At solar metallicity and 13 Gyr, this range corresponds to an age error of roughly +/- 7 Gyr. Model colors from different authors applied in a differential sense have smaller uncertainties. (4) In the present models the dominant error for colors is probably the transformation from stellar atmospheric parameters to stellar colors. (5) Stellar B - V is difficult to model, and current spreads among different authors can reach 0.2 mag. (6) If known defects in the stellar flux library are corrected, the population model colors of this work in passbands redder than U would be accurate to roughly 0.03 mag in an absolute sense. These corrections are not made in the tables of model output.

Worthey, Guy↗

Jet Noise Diagnostics Supporting Statistical Noise Prediction Methods

The primary focus of my presentation is the development of the jet noise prediction code JeNo with most examples coming from the experimental work that drove the theoretical development and validation. JeNo is a statistical jet noise prediction code, based upon the Lilley acoustic analogy. Our approach uses time-average 2-D or 3-D mean and turbulent statistics of the flow as input. The output is source distributions and spectral directivity. NASA has been investing in development of statistical jet noise prediction tools because these seem to fit the middle ground that allows enough flexibility and fidelity for jet noise source diagnostics while having reasonable computational requirements. These tools rely on Reynolds-averaged Navier-Stokes (RANS) computational fluid dynamics (CFD) solutions as input for computing far-field spectral directivity using an acoustic analogy. There are many ways acoustic analogies can be created, each with a series of assumptions and models, many often taken unknowingly. And the resulting prediction can be easily reverse-engineered by altering the models contained within. However, only an approach which is mathematically sound, with assumptions validated and modeled quantities checked against direct measurement will give consistently correct answers. Many quantities are modeled in acoustic analogies precisely because they have been impossible to measure or calculate, making this requirement a difficult task. The NASA team has spent considerable effort identifying all the assumptions and models used to take the Navier-Stokes equations to the point of a statistical calculation via an acoustic analogy very similar to that proposed by Lilley. Assumptions have been identified and experiments have been developed to test these assumptions. In some cases this has resulted in assumptions being changed. Beginning with the CFD used as input to the acoustic analogy, models for turbulence closure used in RANS CFD codes have been explored and compared against measurements of mean and rms velocity statistics over a range of jet speeds and temperatures. Models for flow parameters used in the acoustic analogy, most notably the space-time correlations of velocity, have been compared against direct measurements, and modified to better fit the observed data. These measurements have been extremely challenging for hot, high speed jets, and represent a sizeable investment in instrumentation development. As an intermediate check that the analysis is predicting the physics intended, phased arrays have been employed to measure source distributions for a wide range of jet cases. And finally, careful far-field spectral directivity measurements have been taken for final validation of the prediction code. Examples of each of these experimental efforts will be presented. The main result of these efforts is a noise prediction code, named JeNo, which is in middevelopment. JeNo is able to consistently predict spectral directivity, including aft angle directivity, for subsonic cold jets of most geometries. Current development on JeNo is focused on extending its capability to hot jets, requiring inclusion of a previously neglected second source associated with thermal fluctuations. A secondary result of the intensive experimentation is the archiving of various flow statistics applicable to other acoustic analogies and to development of time-resolved prediction methods. These will be of lasting value as we look ahead at future challenges to the aeroacoustic experimentalist.

Bridges, James E.↗