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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Distribution System Segmented Model Simplification with Independent Dynamically Changing End-Use Loads

With more emerging technologies in power distribution systems, to support quasi-static time-series (QSTS) simulation over short time frames, accurately modeling the dynamic behavior of end-use load under various conditions is im- portant. However, time and cost can be a burden for the QSTS simulation of thousands of houses representing dynamic load behaviors on large distribution feeders. There are two main contributions of this paper in order to reduce the QSTS simulation complexity. First, the paper presents a method to stochasti- cally model the dynamic behavior of end-use load for QSTS simulations. Second, using the stochastically modeled load behavior as an input to a distribution sys- tem, and building on our previous QSTS simulation simplification/acceleration method that relies on uniform load behavior, this paper presents a segment substitution approach for the simplification of distribution system models with independent dynamically changing end-use loads. Our numerical results show that compared to GridLAB-D, a software tool that simulates end-use load be- havior through physical models, the proposed stochastic modeling approach achieved an 89.3% simulation time reduction for end-use loads, while accurately capturing the temporally changing total load behavior. Moreover, the QSTS simulation of a large test distribution system through OpenDSS showed that the proposed simplification method decreased the feeder simulation time by a factor of three at less than 0.3% voltage error. Compared to our previous method with independent dynamic loads, the voltage error is reduced by a factor of four.

Power distribution system modeling, stochastic pro↗
DOE OSTI2022

Topological Simplifications of Hypergraphs

Here we study hypergraph visualization via its topological simplification. We explore both vertex simplification and hyperedge simplification of hypergraphs using tools from topological data analysis. In particular, we transform a hypergraph into its graph representations, known as the line graph and clique expansion. A topological simplification of such a graph representation induces a simplification of the hypergraph. In simplifying a hypergraph, we allow vertices to be combined if they belong to almost the same set of hyperedges, and hyperedges to be merged if they share almost the same set of vertices. Our proposed approaches are general and mathematically justifiable, and put vertex simplification and hyperedge simplification in a unifying framework.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

A Practical Solver for Scalar Data Topological Simplification

This paper presents a practical approach for the optimization of topological simplification, a central pre-processing step for the analysis and visualization of scalar data. Given an input scalar field f and a set of “signal” persistence pairs to maintain, our approaches produces an output field g that is close to f and which optimizes (i) the cancellation of “non-signal” pairs, while (ii) preserving the “signal” pairs. In contrast to pre-existing simplification algorithms, our approach is not restricted to persistence pairs involving extrema and can thus address a larger class of topological features, in particular saddle pairs in three-dimensional scalar data. Our approach leverages recent generic persistence optimization frameworks and extends them with tailored accelerations specific to the problem of topological simplification. Extensive experiments report substantial accelerations over these frameworks, thereby making topological simplification optimization practical for real-life datasets. Our approach enables a direct visualization and analysis of the topologically simplified data, e.g., via isosurfaces of simplified topology (fewer components and handles). We apply our approach to the extraction of prominent filament structures in three-dimensional data. Specifically, we show that our pre-simplification of the data leads to practical improvements over standard topological techniques for removing filament loops. Here, we also show how our approach can be used to repair genus defects in surface processing. Finally, we provide a C++ implementation for reproducibility purposes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Application of Fuel Depletion Chain Simplification to Experiment Analysis in the Advanced Test Reactor

An irradiation experiment analysis can be informed by high-fidelity reactor engineering depletion results, but this comes at a computational cost. Applying depletion chain simplification to the advanced test reactor driver fuel before performing experiment depletions permits their programmatic parameters to be calculated faster, with a small penalty to accuracy. Here, this work contrasts the results of two irradiation experiments with different neutronic characteristics. Overall, the simplified nuclide library produced using a simple one-group microscopic cross-section library for a pressurized water reactor in the depletion chain simplification process performed comparably in terms of accuracy and runtime to the simplified nuclide library produced using a three-group microscopic cross-section library generated specifically for the advanced test reactor experiments being modeled. This is attributed to the additional nuclides and transmutation pathways preserved in the one-group cross-section library, which has data for 297 nuclides, compared to the three-group cross-section library, which has data for 217 nuclides. This indicates that a cross-section library with more nuclides is better than a cross-section library with fewer nuclides for the depletion chain simplification process, even if the cross-section library with fewer nuclides better represents the flux spectrum of the system being considered.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Adaptive continuity-preserving simplification of street networks

Street network data is widely used to study human-based activities and urban structure. Often, these data are geared towards transportation applications, which require highly granular, directed graphs that capture the complex relationships of potential traffic patterns. While this level of network detail is critical for certain fine-grained mobility models, it represents a hindrance for studies concerned with the morphology of the street network. For the latter case, street network simplification — the process of converting a highly granular input network into its most simple morphological form — is a necessary, but highly tedious preprocessing step, especially when conducted manually. In this manuscript, we develop and present a novel adaptive algorithm for simplifying street networks that is both fully automated and able to mimic results obtained through a manual simplification routine. The algorithm — available in the neatnet Python package — outperforms current state-of-the-art procedures when comparing those methods to manually, human-simplified data, while preserving network continuity.

Python↗
DOE OSTI2025

Adaptive continuity-preserving simplification of street networks

While street network data are nearly universally available, their representation is usually transportation-based. However, for many types of analyses, e.g., urban morphology or network science, unprocessed transportation-based street network data is unsuitable, making a cumbersome manual simplification process necessary. To address this challenge, in this paper we propose an algorithm for simplification of street networks, based on the detection of network portions that need to be simplified, and continuity-preserving heuristics that generate new geometries. The algorithm, released in the open-source Python package neatnet, facilitates the generation of morphological networks and generalises to various geographical contexts without a need to alter the parameters, while offering better performance than other available solutions.

Fleischmann, Martin [Charles University, Prague, C↗
DOE OSTI2024

Measuring Impact: Evaluating Thermal Zoning Simplification on Energy Efficiency Measures Analysis

Building Energy Modeling (BEM) is a versatile tool for designing, retrofitting, ensuring code compliance, obtaining certifications, qualifying for incentives, and enabling real-time building control. However, capturing all the details of building geometry for thermal zoning can be time-consuming, costly, and sometimes computationally challenging. As a result, modelers have been applying zoning simplification based on factors such as space functions and internal loads, as well as relying on their experience and judgment while adhering to zoning rules outlined in industry standards. Despite the prevalence of this common practice, a notable gap exists in the literature regarding studies quantifying the influence of simplified thermal zoning on the evaluation of Energy Efficiency Measures (EEMs). Recognizing this gap, this paper seeks to contribute to the field by enhancing the understanding of how the simplification of thermal zoning influences the evaluation of EEMs against a baseline design. The study utilized a medium office prototype model with a detailed floor plan featuring over 20 zones per floor covering diverse functional spaces with varying internal loads and occupancy schedules. A standard thermal zoning strategy outlined in ASHRAE Standard 90.1 Appendix G was employed as the simplified zoning method. This strategy condenses the zoning into a core zone and four perimeter zones per floor. It was compared with the detailed zoning approach, which involves one zone per space. Common Energy EEMs, such as enhanced envelope, high-efficiency appliances and equipment, and HVAC controls, were individually implemented and evaluated. The results indicate that the performance comparison between the two zoning methods varies depending on the type of measures considered. Basic measures, such as adding wall insulation, demonstrate similar energy impacts, while advanced HVAC control measures, such as static pressure reset, exhibit a more substantial difference that cannot be overlooked.

Xie, Jiarong↗
DOE OSTI2025

M&C 2025: Application of Fuel Depletion Chain Simplification to Experiment Analysis in the Advanced Test Reactor

Irradiation experiment analysis can be informed by high-fidelity reactor engineering depletion results, but it comes at a computational cost. Applying depletion chain simplification to the Advanced Test Reactor driver fuel before performing experiment depletions permits their programmatic parameters to be calculated faster, with a small penalty to accuracy. This work contrasts the results of two irradiation experiments with different neutronic characteristics and provides general recommendations.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Thermo-hydraulic steam pipe models for district heating simulations: Simplifications to balance accuracy and simulation speed

Steam piping networks are essential for optimizing performance in industrial processes and district heating systems. However, dynamic models that balance thermo-hydraulic accuracy with computational efficiency remain limited. In response, this paper presents a new discretized steam pipe model based on the plug flow approach, capturing key thermo-hydraulic behaviors while simplifying steam phase change processes. Implemented in Modelica, the model accurately calculates temperature and pressure distributions along steam pipelines. To improve computational efficiency for district-scale simulations, five model simplifications are introduced: lumped thermo-hydraulic functions, empirical correlations, fluid state approximations, steady-state dynamics and inclusion of flow derivatives. These simplified models achieve 85%-98% accuracy in predicting pressure drop and condensation losses, including dynamic condensate behavior during pipe warm-up—a factor often overlooked in existing models. The models support diverse network configurations, scaling effectively to systems with multiple distribution pipes and connected building loads. Discrete models provide detailed insights but exhibit a cubic increase in simulation time as the network scales by N connected building O(N 2.42 ). In contrast, lumped models simulate 10–28 times faster than discrete, offering quadratic scaling of simulation time O(N 1.73 ). However, they still require 6 times more computation time than a lossless network, highlighting the inherent computational challenges of modeling compressible fluid flow. In conclusion, the steady-state lumped variant, with its near-linear scalability in computational time O(N 1.01 ), emerges as an efficient solution for preliminary design evaluations and extensive parametric studies.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Observation of Conformational Simplification upon N-methylation on Amino Acid Iodide Clusters

This work reports a surprising observation that methylation of glycine-iodide cluster leads to less conformations and spectroscopic simplicity. We used cryogenic “iodide-tagging” negative ion photoelectron spectroscopy (NIPES) to probe specific binding sites of three N-methylated glycine derivatives, i.e., N-methylglycine (sarcosine, Sar), N,N-dimethylglycine (Dmg), and N,N,N-trimethylglycine (glycine betaine, Bet). NIPES reveals a progressive spectral simplification of the iodide clusters with increasing methylation due to the presence of fewer contributing structures, a reduction in the number of NH and OH hydrogen bond donating sites, and an increase in the basicity of the amine. Low energy conformers and tautomers of each cluster are computationally identified, and those observed in the experiments are assigned based on excellent agreement between the NIPE spectra and theoretical simulations. Clusters with zwitterionic structures for Gly, Sar, and Dmg are found to be less stable than their canonical forms and do not contribute to the observed spectra. This work demonstrates the power of “iodide-tagging” NIPES in probing conformational and tautomeric structures of amino acid-iodide clusters and provides a molecular level understanding on the effect of methyl substitution on the active binding sites of amino acids.

Cao, Wenjin↗
DOE OSTI2025

Extremely Scalable Distributed Computation of Contour Trees via Pre-Simplification

Contour trees offer an abstract representation of the level set topology in scalar fields and are widely used in topological data analysis and visualization. However, applying contour trees to large-scale scientific datasets remains challenging due to scalability limitations. Recent developments in distributed hierarchical contour trees have addressed these challenges by enabling scalable computation across distributed systems. Building on these structures, advanced analytical tasks—such as volumetric branch decomposition and contour extraction—have been introduced to facilitate large-scale scientific analysis. Despite these advancements, such analytical tasks substantially increase memory usage, which hampers scalability. In this paper, we propose a pre-simplification strategy to significantly reduce the memory overhead associated with analytical tasks on distributed hierarchical contour trees. We demonstrate enhanced scalability through strong scaling experiments, constructing the largest known contour tree—comprising over half a trillion nodes with complex topology—in under 15 minutes on a dataset containing 550 billion elements.

Li, Mingzhe [University of Utah]↗
DOE OSTI2021

Simplification of the purification of heat stable recombinant low molecular weight proteins and peptides from GST-fusion products

The synthesis and purification of peptides of importance in the fields of research and medicine continue to be a challenging task. Chemical synthesis of oligopeptides, especially those greater than 25 amino acids, is cost prohibitive. On the other hand, several bottlenecks exist in the production of recombinant short peptides in heterologous expression hosts such as Escherichia coli (E. coli). In this paper, a rapid, cost-effective, and reliable method for the production and singlestep-purification of peptides and small proteins was developed. Five peptides and small proteins were overexpressed in E. coli as GST-fusion products in high yields. The recombinant peptides or proteins were successfully purified after enzymatic cleavage with selective heat-induced precipitation of the GST-affinity tag. Qualitative and quantitative analysis using SDS-PAGE and mass spectrometric methods suggest that the recombinant peptides/ proteins were purified to >95% homogeneity. Results of biophysical experiments, including multi-dimensional NMR spectroscopy, show that the purified proteins/ peptides retain their native conformation. Isothermal titration calorimetry studies indicate no significant change in the binding affinity of the heattreated purified product to their interacting partner(s) compared to the recombinant peptides purified by conventional chromatographic procedures without subjecting to heat treatment. In our opinion, the results reported render the purification of recombinant proteins/ peptides of biomedical relevance using our proposed method easy and reliable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Increasing Functional Diversity in a Global Land Surface Model Illustrates Uncertainties Related to Parameter Simplification

Abstract Simulations of the land surface carbon cycle typically compress functional diversity into a small set of plant functional types (PFT), with parameters defined by the average value of measurements of functional traits. In most earth system models, all wild plant life is represented by between five and 14 PFTs and a typical grid cell (≈100 × 100 km) may contain a single PFT. Model logic applied to this coarse representation of ecological functional diversity provides a reasonable proxy for the carbon cycle, but does not capture the non‐linear influence of functional traits on productivity. Here we show through simulations using the Energy Exascale Land Surface Model in 15 diverse terrestrial landscapes, that better accounting for functional diversity markedly alters predicted total carbon uptake. The shift in carbon uptake is as great as 30% and 10% in boreal and tropical regions, respectively, when compared to a single PFT parameterized with the trait means. The traits that best predict gross primary production vary based on vegetation phenology, which broadly determines where traits fall within the global distribution. Carbon uptake is more closely associated with specific leaf area for evergreen PFTs and the leaf carbon to nitrogen ratio in deciduous PFTs.

58 GEOSCIENCES↗
DOE OSTI2020

A Comfort Model Simplification for Tight Integration with Grid Service Optimizations

Localized generation, storage, and intelligent power electronics are increasingly being integrated into building. The excess storage, thermal, and generation capacity can be used to develop new markets for ancillary services such as peak reduction, voltage and frequency support, or load flattening. Widespread participation in these markets will make the power grid more resilient. However, widespread participation in these markets will require a simple and intuitive control over the excess capacity by the building occupants. Most importantly for adopting these technologies, participation in these markets should not require sacrificing occupant comfort. Many of the proposed control and optimization technologies for supplying the ancillary services do not explicitly incorporate occupant comfort into their models and when they do, generally utilize a rigid constraint on the indoor air temperature set a priori. This reduces flexibility in using excess thermal capacity. It also cannot take into account uncertainties in local factors that affect thermal comfort such as clothing insulation or relative humidity. In this paper we present and justify some assumptions that simplify the standard predictors of thermal comfort. We also develop a regression model of the thermal comfort that is linear with respect to the indoor air temperature. Next we develop the concept of thermal comfort variation that eliminates the dependence of the thermal comfort on uncertain thermal comfort factors. Then, we present a quadratic program utilizing the thermal comfort variation in both the objective function and as a constraint. Finally, we show the results of a time-of-use cost optimization that utilizes the simplified thermal comfort model.

Melin, Alexander↗
DOE OSTI2021

Effects of finite element discretization and model simplification on calculations of ductile failure initiation

The finite element method is a scheme to discretize the infinite number of degrees of freedom in continuum-level problems down to a finite number of degrees of freedom. This discretization is done in conjunction with methods that also reduce the field differential equations to sets of algebraic ones that can be solved by arithmetical operations. Therefore, solutions attained by finite element models are approximations to the exact solutions of the field equations.

97 MATHEMATICS AND COMPUTING↗