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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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At least 19 records

Relaxing the constant molar overflow assumption in distillation optimization

Abstract The constant molar overflow (CMO) framework, while useful for shortcut distillation models, assumes that all components have the same latent heats of vaporization. A simple transformation, from molar flows to latent‐heat flows, allows shortcut models to retain the mathematical simplicity of the CMO framework while accounting for different latent heats, resulting in the constant heat transport (CHT) framework for adiabatic distillation columns. Although several past works have already proposed this transformation in the literature, it has not been well utilized in recent times. In this article, we show the utility of this transformation in upgrading various applications such as identifying energy‐efficient multicomponent distillation configurations based on heat duty rather than surrogate vapor flow. The method transforms the diagram to a diagram. Furthermore, we derive new and insightful analytical results in distillation, such as cumulative latent‐heat stage fractions having monotonic profiles within a distillation column under the CHT framework.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASTRAN Structural Model for the Large 64-meter Antenna Pedestal, Part 1

Static analysis and a computer structural model for the large 64-m antenna pedestal are developed using the MSC version of the NASTRAN program. This model was necessary to conduct a variety of hydrostatic bearing rehabilitation studies. The results obtained from the model show that the top surface deflections due to pad loads are in good agreement with the results previously obtained from a simplified "shortcut' analytical model, and also in agreement with field measurements. In addition, the displacement and force distributions as well as the state of stress and strain are obtained.

Chian, C. T.↗

Minimum reflux calculation for multicomponent distillation in multi‐feed, multi‐product columns: Mathematical model

Abstract Multi‐feed, multi‐product distillation columns are ubiquitous in multicomponent distillation systems. The minimum reflux ratio of a distillation column is directly related to its energy consumption and capital cost. Thus, it is a key parameter for distillation systems design, operation, and comparison. In this series, we present the first accurate shortcut based algorithmic method to determine the minimum reflux condition for any general multi‐feed, multi‐product (MFMP) distillation column separating any ideal multicomponent mixture. The classic McCabe‐Thiele or Underwood method is a special case of this general approach. Compared with existing techniques, this method does not involve any rigorous tray‐by‐tray calculation, nor does it require guessing of key components. In this first part of the series, we present the mathematical model for a general MFMP column, derive constraints for feasible separation and minimum reflux condition, discuss their geometric interpretations, and present an illustrative example to demonstrate the effectiveness of our approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Estimating Energy Market Schedules using Historical Price Data

The global climate crisis is expected to reshape the energy generation landscape in the coming decades. Increasing integration of non-dispatchable renewable energy resources into energy infrastructures and markets creates uncertainty as well as new opportunities for flexible energy systems. To conduct proper economic evaluation of flexible energy systems, such as integrated energy systems (IES), advancements in modelling of market interactions, such as bidding, is crucial. This work presents a shortcut algorithm which uses two mixed integer linear programs to compute dispatch schedules (e.g., hourly power production targets) that are constrained by the resource's bid information and characteristics (e.g., minimum up and down times) based on historical locational marginal price (LMP) data. The proposed algorithm is approximately 100 times faster and uses orders of magnitude less data than a full production cost model (PCM). We find the shortcut simulator recapitulates generator dispatch signals for the Prescient PCM with approximately 4% error for the RTS-GMLC test system.

electricity generation↗

Arrival Scheduling with Shortcut Path Options and Mixed Aircraft Performance

Previous work introduced the concept of using tactical shortcut options to improve schedule conformance in terminal airspace. When a scheduling point is congested, aircraft are scheduled to longer nominal paths, holding shortcut path options in reserve for tactical use if an aircraft is late, thereby improving the schedule conformance, reducing the required scheduling buffer, and increasing throughput. When the scheduling point is less congested, aircraft may be scheduled to the shorter path with original larger scheduling buffers. Previous work focused on a single generic merge point serving aircraft with uniform arrival precision. This paper extends the previous concept to enhance the performance of time-based arrival management and consider mixed aircraft performance. Aircraft equipped to achieve a high degree of schedule conformance may be scheduled to the shorter path under the same conditions that a less equipped aircraft would be scheduled to the longer path, giving the equipped aircraft an advantage that can be seamlessly integrated into the scheduler. The arrival scheduler with shortcut path options for mixed aircraft performance is applied to a model of first-come first-served terminal metering at Los Angeles International Airport. Whereas clear system benefits were found for tactical shortcut routing and higher percentages of equipped aircraft, very little advantage could be seen for equipped over unequipped aircraft that could be used to incentivize early equipage.

Equipage operations↗

Emerging CFD technologies and aerospace vehicle design

With the recent focus on the needs of design and applications CFD, research groups have begun to address the traditional bottlenecks of grid generation and surface modeling. Now, a host of emerging technologies promise to shortcut or dramatically simplify the simulation process. This paper discusses the current status of these emerging technologies. It will argue that some tools are already available which can have positive impact on portions of the design cycle. However, in most cases, these tools need to be integrated into specific engineering systems and process cycles to be used effectively. The rapidly maturing status of unstructured and Cartesian approaches for inviscid simulations makes suggests the possibility of highly automated Euler-boundary layer simulations with application to loads estimation and even preliminary design. Similarly, technology is available to link block structured mesh generation algorithms with topology libraries to avoid tedious re-meshing of topologically similar configurations. Work in algorithmic based auto-blocking suggests that domain decomposition and point placement operations in multi-block mesh generation may be properly posed as problems in Computational Geometry, and following this approach may lead to robust algorithmic processes for automatic mesh generation.

Aftosmis, Michael J.↗

Improving Solar and Solar+Storage Screening Techniques to Reduce Utility Interconnection Time and Costs (Final Technical Report)

Residential PV installations have increased rapidly over the last decade, and the increased application volume has caused permitting delays and lower overall adoption rates. In this project, we developed and evaluated whether data-driven secondary modeling and screening techniques can help utilities assess customer applications more accurately than traditional screening shortcuts. Secondary topologies are predicted using decision trees and commonly available information, such as service transformer, customer, and street locations. Conductors were predicted using a logistic regression method based on real world object (RWO) types, service transformer ratings, conductor length, and distance to transformer. After developing the combined primary and secondary distribution network model, hosting capacity results were used to train a random forest model to predict the pass/fail likelihood of a customer application. Powerflow based models with predicted secondaries and data-driven methods both increased the screening success rate, relative to common utility heuristics, by as much as 55 percentage points. Data-driven screening techniques were described by one utility as a "right-sized" approach for residential customers given the low-risk of small errors and the high-cost of accurate modeling.

14 SOLAR ENERGY↗

A situation-response model for intelligent pilot aiding

An intelligent pilot aiding system needs models of the pilot information processing to provide the computational basis for successful cooperation between the pilot and the aiding system. By combining artificial intelligence concepts with the human information processing model of Rasmussen, an abstraction hierarchy of states of knowledge, processing functions, and shortcuts are developed, which is useful for characterizing the information processing both of the pilot and of the aiding system. This approach is used in the conceptual design of a real time intelligent aiding system for flight crews of transport aircraft. One promising result was the tentative identification of a particular class of information processing shortcuts, from situation characterizations to appropriate responses, as the most important reliable pathway for dealing with complex time critical situations.

Schudy, Robert↗

Spatiotemporal quenches for efficient critical ground state preparation in the two-dimensional transverse field Ising model

Quantum simulators have the potential to shed light on the study of quantum many-body systems and materials, offering unique insights into various quantum phenomena. Although adiabatic evolution has been conventionally employed for state preparation, it faces challenges when the system evolves too quickly or the coherence time is limited. In such cases, shortcuts to adiabaticity, such as spatiotemporal quenches, provide a promising alternative. This paper numerically investigates the application of spatiotemporal quenches in the two-dimensional transverse field Ising model with ferromagnetic interactions, focusing on the emergence of the ground state and its correlation properties at criticality when the gap vanishes. We demonstrate the effectiveness of these quenches in rapidly preparing ground states in critical systems. Our simulations reveal the existence of an optimal quench front velocity at the emergent speed of light, leading to minimal excitation energy density and correlation lengths of the order of finite system sizes we can simulate. These findings emphasize the potential of spatiotemporal quenches for efficient ground state preparation in quantum systems, with implications for the exploration of strongly correlated phases and programmable quantum computing.

2-dimensional systems↗

Distance-dependent dielectric constant at the calcite/electrolyte interface: Implication for surface complexation modeling

Hypothesis: The electrical double layer formed at the mineral/electrolyte interface is often modeled using mean-field approaches based on a continuum description of the solvent whose dielectric constant is assumed to decrease monotonically with decreasing distance to the surface. In contrast, molecular simulations show that the solvent polarizability oscillates near the surface similar to the water density profile - as shown previously, for example, by Bonthuis et al. (D.J. Bonthuis, S. Gekle, R.R. Netz, Dielectric Profile of Interfacial Water and its Effect on Double-Layer Capacitance, Phys Rev Lett 107(16) (2011) 166102). Here, we showed that molecular and mesoscale pictures agree by spatially averaging the dielectric constant obtained from molecular dynamics simulations over the distances relevant to the mean-field representation. In addition, the values of capacitances used to describe the electrical double layer in Surface Complexation Models (SCMs) of the mineral/electrolyte interface can be estimated using molecularly informed spatially averaged dielectric constants and positions of hydration layers. Experiments: First, we used molecular dynamics simulations to model the calcite 101¯4/electrolyte interface. Next, by using atomistic trajectories, we calculated the distance-dependent static dielectric constant and water density in the direction normal to the. Finally, we applied spatial compartmentalization consistent with the model of parallel-plate capacitors connected in series to estimate SCM capacitances. Findings: Computationally expensive simulations are required to determine the dielectric constant profile of interfacial water near the mineral surface. On the other hand, water density profiles are readily assessable from much shorter simulation trajectories. Our simulations confirmed that dielectric and water density oscillations at the interface are correlated. Here, we parametrized linear regression models to estimate the dielectric constant directly from the local water density. This is a significant computational shortcut compared to slowly converging calculations relying on total dipole moment fluctuations. The amplitude of the interfacial dielectric constant oscillation can exceed the dielectric constant of the bulk water, suggesting an ice-like frozen state, but only if there are no electrolyte ions. The interfacial accumulation of electrolyte ions causes a decrease in the dielectric constant due to the reduction of water density and re-orientation of water dipoles in ion hydration shells. Finally, we show how to use the computed dielectric properties to estimate SCM's capacitances.

58 GEOSCIENCES↗

Surrogate construction via weight parameterization of residual neural networks

Surrogate model development is a critical step for uncertainty quantification or other sample-intensive tasks for complex computational models. Here, in this work, we develop a multi-output surrogate form using a class of neural networks (NNs) that employ shortcut connections, namely Residual NNs (ResNets). ResNets are known to regularize the surrogate learning problem and improve the efficiency and accuracy of the resulting surrogate. Inspired by the continuous, Neural ODE analogy, we augment ResNets with weight parameterization strategy with respect to ResNet depth. Weight-parameterized ResNets regularize the NN surrogate learning problem and allow better generalization with a drastically reduced number of learnable parameters. We demonstrate that weight-parameterized ResNets are more accurate and efficient than conventional feed-forward multi-layer perceptron networks. We also compare various options for parameterization of the weights as functions of ResNet depth. We demonstrate the results on both synthetic examples and a large scale earth system model of interest.

97 MATHEMATICS AND COMPUTING↗

An finite element analysis surrogate model with boundary oriented graph embedding approach for rapid design

Abstract In this work, we present a boundary oriented graph embedding (BOGE) approach for the graph neural network to assist in rapid design and digital prototyping. The cantilever beam problem has been solved as an example to validate its potential of providing physical field results and optimized designs using only 10 ms. Providing shortcuts for both boundary elements and local neighbor elements, the BOGE approach can embed unstructured mesh elements into the graph and performs an efficient regression on large-scale triangular-mesh-based finite element analysis (FEA) results, which cannot be realized by other machine-learning-based surrogate methods. It has the potential to serve as a surrogate model for other boundary value problems. Focusing on the cantilever beam problem, the BOGE approach with 3-layer DeepGCN model achieves the regression with mean square error (MSE) of 0.011 706 (2.41% mean absolute percentage error) for stress field prediction and 0.002 735 MSE (with 1.58% elements having error larger than 0.01) for topological optimization. The overall concept of the BOGE approach paves the way for a general and efficient deep-learning-based FEA simulator that will benefit both industry and Computer Aided Design (CAD) design-related areas.

42 ENGINEERING↗

Modernist materials synthesis: Finding thermodynamic shortcuts with hyperdimensional chemistry

Synthesis remains a challenge for advancing materials science. A key focus of this challenge is how to enable selective synthesis, particularly as it pertains to metastable materials. This perspective addresses the question: how can “spectator” elements, such as those found in double ion exchange (metathesis) reactions, enable selective materials synthesis? By observing reaction pathways as they happen (in situ) and calculating their energetics using modern computational thermodynamics, we observe transient, crystalline intermediates that suggest that many reactions attain a local thermodynamic equilibrium dictated by local chemical potentials far before achieving a global equilibrium set by the average composition. Furthermore, using this knowledge, one can thermodynamically “shortcut” unfavorable intermediates by including additional elements beyond those of the desired target, providing access to a greater number of intermediates with advantageous energetics and selective phase nucleation. Ultimately, data-driven modeling that unites first-principles approaches with experimental insights will refine the accuracy of emerging predictive retrosynthetic models for complex materials synthesis.

36 MATERIALS SCIENCE↗

CARETS: An experimental regional information system using ERTS data

The U. S. Geological Survey CARETS (Central Atlantic Regional Ecological Test Site)/ERTS investigation is testing the applicability of ERTS data as input to an environmental information system for a multi-state mid-Atlantic region surrounding the Chesapeake and Delaware Bays. The information system framework encompasses a flow of information through several stages from sensor to user, and involving evaluation and feedback from several potential users. Basic assumptions of the CARETS project model are that there is a measurable environmental impact associated with land use and land use change as determined with remote sensor data, and that the ERTS derived land use data sets, when properly calibrated, may thus provide regional planners and administrators with a shortcut to an understanding of the environmental changes that are going on in their regions.

Alexander, R. H.↗

NASA Taxonomies for Searching Problem Reports and FMEAs

Many types of hazard and risk analyses are used during the life cycle of complex systems, including Failure Modes and Effects Analysis (FMEA), Hazard Analysis, Fault Tree and Event Tree Analysis, Probabilistic Risk Assessment, Reliability Analysis and analysis of Problem Reporting and Corrective Action (PRACA) databases. The success of these methods depends on the availability of input data and the analysts knowledge. Standard nomenclature can increase the reusability of hazard, risk and problem data. When nomenclature in the source texts is not standard, taxonomies with mapping words (sets of rough synonyms) can be combined with semantic search to identify items and tag them with metadata based on a rich standard nomenclature. Semantic search uses word meanings in the context of parsed phrases to find matches. The NASA taxonomies provide the word meanings. Spacecraft taxonomies and ontologies (generalization hierarchies with attributes and relationships, based on terms meanings) are being developed for types of subsystems, functions, entities, hazards and failures. The ontologies are broad and general, covering hardware, software and human systems. Semantic search of Space Station texts was used to validate and extend the taxonomies. The taxonomies have also been used to extract system connectivity (interaction) models and functions from requirements text. Now the Reconciler semantic search tool and the taxonomies are being applied to improve search in the Space Shuttle PRACA database, to discover recurring patterns of failure. Usual methods of string search and keyword search fall short because the entries are terse and have numerous shortcuts (irregular abbreviations, nonstandard acronyms, cryptic codes) and modifier words cannot be used in sentence context to refine the search. The limited and fixed FMEA categories associated with the entries do not make the fine distinctions needed in the search. The approach assigns PRACA report titles to problem classes in the taxonomy. Each ontology class includes mapping words - near-synonyms naming different manifestations of that problem class. The mapping words for Problems, Entities and Functions are converted to a canonical form plus any of a small set of modifier words (e.g. non-uniformity NOT + UNIFORM.) The report titles are parsed as sentences if possible, or treated as a flat sequence of word tokens if parsing fails. When canonical forms in the title match mapping words, the PRACA entry is associated with the corresponding Problem, Entity or Function in the ontology. The user can search for types of failures associated with types of equipment, clustering by type of problem (e.g., all bearings found with problems of being uneven: rough, irregular, gritty ). The results could also be used for tagging PRACA report entries with rich metadata. This approach could also be applied to searching and tagging failure modes, failure effects and mitigations in FMEAs. In the pilot work, parsing 52K+ truncated titles (the test cases that were available), has resulted in identification of both a type of equipment and type of problem in about 75% of the cases. The results are displayed in a manner analogous to Google search results. The effort has also led to the enrichment of the taxonomy, adding some new categories and many new mapping words. Further work would make enhancements that have been identified for improving the clustering and further reducing the false alarm rate. (In searching for recurring problems, good clustering is more important than reducing false alarms). Searching complete PRACA reports should lead to immediate improvement.

Malin, Jane T.↗

The cortex transform - Rapid computation of simulated neural images

With a goal of providing means for accelerating the image processing, machine vision, and testing of human vision models, an image transform was designed, which makes it possible to map an image into a set of images that vary in resolution and orientation. Each pixel in the output may be regarded as the simulated response of a neuron in human visual cortex. The transform is amenable to a number of shortcuts that greatly reduce the amount of computation.

Watson, Andrew B.↗

Tools of the Future: How Decision Tree Analysis Will Impact Mission Planning

The universe is infinitely complex; however, the human mind has a finite capacity. The multitude of possible variables, metrics, and procedures in mission planning are far too many to address exhaustively. This is unfortunate because, in general, considering more possibilities leads to more accurate and more powerful results. To compensate, we can get more insightful results by employing our greatest tool, the computer. The power of the computer will be utilized through a technology that considers every possibility, decision tree analysis. Although decision trees have been used in many other fields, this is innovative for space mission planning. Because this is a new strategy, no existing software is able to completely accommodate all of the requirements. This was determined through extensive research and testing of current technologies. It was necessary to create original software, for which a short-term model was finished this summer. The model was built into Microsoft Excel to take advantage of the familiar graphical interface for user input, computation, and viewing output. Macros were written to automate the process of tree construction, optimization, and presentation. The results are useful and promising. If this tool is successfully implemented in mission planning, our reliance on old-fashioned heuristics, an error-prone shortcut for handling complexity, will be reduced. The computer algorithms involved in decision trees will revolutionize mission planning. The planning will be faster and smarter, leading to optimized missions with the potential for more valuable data.

Otterstatter, Matthew R.↗

Understanding Fission Gas Bubble Distribution and Zirconium Redistribution in Neutron-irradiated U-Zr Metallic Fuel Using Machine Learning

U-10wt.% Zr (U-10Zr) based metallic fuel is the leading candidate for next-generation sodium cooled fast reactor in United States. Currently, Idaho National Laboratory (INL) has been the leading national laboratory for research, development, and demonstration (RD&D) on metallic fuel. Advanced post-irradiation characterization will help to understand fuel microstructure and property change during irradiation, benefiting fuel qualification for commercial application. Characterization capabilities ranging from sub-nanometer to micrometer, such as scanning electron microscopy (SEM), focused ion beam (FIB) sampling, transmission electron microscopy (TEM) characterization, and local thermal conductivity microscopy (TCM), have been utilized recently on irradiated U-10Zr fuel samples to gain a better understanding of nuclear fuel microstructure and property evolution inside a reactor. The FIB/SEM coupled with energy dispersive X-ray spectroscopy (EDS) can capture the essential information to achieve better understanding of fuel behaviors. Inside a nuclear reactor, the phase and microstructure of U-10Zr is constantly changing under neutron bombardment. For example, the gaseous fission product atoms have a limited solubility inside fuel matrix and tend to precipitate out in bubble form, which not only contribute to fuel thermal conductivity degradation but also provide a shortcut for movement of fission products, i.e. lanthanides. The resultant deposition of lanthanides at the cladding inner surface will potentially trigger a chemical reaction/interaction between nuclear fuel and cladding at reactor operational conditions, threatening fuel integrity and safety. FIB/SEM coupled with EDS can provide the fission bubble information as well as probe into phase separation or Zr redistribution, which is fundamental to predict the fuel performance. With high velocity image data generating method, such as FIB/SEM, an automatic way to extract the microstructural information quantitively can better serve the needs from post irradiation characterization. A trained machine learning model, named Decision Tree, is employed to generate a bubble classifier and to categorize bubbles into three categories: isolated bubble, connected without lanthanides, and connected with lanthanides bubbles[3]. This work presents a showcase of this approach on six regions of a fuel cross-section along the radial temperature gradient. We obtained distributions of bubble categories and porosity rates along the six regions. Moreover, a secondary phase U-Zr2 was determined and found on regions 5 and 6. The secondary phase fraction was increasing from 15.61% in region 5 to 34.79% in region 6 based on this approach . This quantitative data offers insights into the lanthanide migration and potentially thermal conductivity degradation. This information from machine learning will be fed into fuel design code for better prediction of fuel performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗