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At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Virtual Engineering: Python framework for engineering process design

Virtual Engineering (VE) is a Python software framework designed to accelerate the research and development of engineering processes that are fundamentally defined by multiple unit operations executed in series. VE supports a wide variety of different multi-physics models and integrates them to simulate a complete end-to-end process. To automate the execution of this model sequence, VE provides (i) a robust method to communicate between models, (ii) a high-level, user-friendly interface to set model parameters and enable optimization, and (iii) an overall model-agnostic approach that allows new computational units to be swapped in and out of workflows. Although the VE framework was developed to support the biochemical conversion of biomass to fuel, we have designed each component to easily accommodate new domains and unit models.

09 BIOMASS FUELS↗
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

Multiscale design of nonlinear materials using a Eulerian shape optimization scheme

Motivated by recent advances in manufacturing, the design of materials is the focal point of interest in the material research community. One of the critical challenges in this field is finding optimal material microstructure for a desired macroscopic response. This work presents a computational method for the mesoscale-level design of particulate composites for an optimal macroscale-level response. The method relies on a custom shape optimization scheme to find the extrema of a nonlinear cost function subject to a set of constraints. Three key “modules” constitute the method: multiscale modeling, sensitivity analysis, and optimization. Multiscale modeling relies on a classical homogenization method and a nonlinear NURBS-based generalized finite element scheme to efficiently and accurately compute the structural response of particulate composites using a nonconformal discretization. A three-parameter isotropic damage law is used to model microstructure-level failure. An analytical sensitivity method is developed to compute the derivatives of the cost/constraint functions with respect to the design variables that control the microstructure's geometry. The derivation uncovers subtle but essential new terms contributing to the sensitivity of finite element shape functions and their spatial derivatives. Several structural problems are solved to demonstrate the applicability, performance, and accuracy of the method for the design of particulate composites with a desired macroscopic nonlinear stress-strain response.

42 ENGINEERING↗
DOE OSTI2021

An optimization-based approach to parameter learning for fractional type nonlocal models

Nonlocal operators of fractional type are a popular modeling choice for applications that do not adhere to classical diffusive behavior; however, one major challenge in nonlocal simulations is the selection of model parameters. In this study we propose an optimization-based approach to parameter identification for fractional models with an optional truncation radius. We formulate the inference problem as an optimal control problem where the objective is to minimize the discrepancy between observed data and an approximate solution of the model, and the control variables are the fractional order and the truncation length. For the numerical solution of the minimization problem we propose a gradient-based approach, where we enhance the numerical performance by an approximation of the bilinear form of the state equation and its derivative with respect to the fractional order. Several numerical tests in one and two dimensions illustrate the theoretical results and show the robustness and applicability of our method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

An optimization-based approach to parameter learning for fractional type nonlocal models

Nonlocal operators of fractional type are a popular modeling choice for applications that do not adhere to classical diffusive behavior; however, one major challenge in nonlocal simulations is the selection of model parameters. In this work we propose an optimization-based approach to parameter identification for fractional models with an optional truncation radius. We formulate the inference problem as an optimal control problem where the objective is to minimize the discrepancy between observed data and an approximate solution of the model, and the control variables are the fractional order and the truncation length. For the numerical solution of the minimization problem we propose a gradient-based approach, where we enhance the numerical performance by an approximation of the bilinear form of the state equation and its derivative with respect to the fractional order. Several numerical tests in one and two dimensions illustrate the theoretical results and show the robustness and applicability of our method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Status Report on FY2022 Model Development within the Integrated Energy Systems HYBRID Repository

This publication details newly created energy storage models developed within the HYBRID Modelica repository as part of the Department of Energy Office of Nuclear Energy (DOE-NE) Integrated Energy Systems (IES) program, led by Idaho National Laboratory (INL). Model development to-date includes creation of dynamic systems-level models of a pebble bed high temperature gas reactor (HTGR), liquid air energy storage (LAES), and compressed air energy storage (CAES) in the IES-based HYBRID repository. Models are developed using the latest publicly available data and incorporate the possibility of control strategy inclusion for use with the existing IES modeling, analysis, and optimization toolset. Simulations showcase the abilities of each technology to flexibly operate in ways consistent with IES operation expectations. When these models are available, they can be utilized within different integrated energy park concepts to understand optimal system operation, control, and dispatching. Moreover, given the generic nature of the models, industrial partner technologies can be quickly added to the repository using the existing models as a basis. Additional dynamic models for thermal energy storage concepts can be developed and added to the HYBRID repository as needed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Follow-On Status Report on FY2022 Model Development within the Integrated Energy Systems Hybrid Repository

This publication details newly created energy storage and reactor models developed within the HYBRID modeling repository as part of the Department of Energy Office of Nuclear Energy (DOE-NE) Integrated Energy Systems (IES) program, led by Idaho National Laboratory (INL). Model development to-date includes creation of dynamic systems-level models of a pebble bed high temperature gas reactor (HTGR), compressed air energy storage (CAES), and Modelica standard library based two-tank sensible heat storage (SHS) in the IES-based HYBRID repository. Models are developed using the latest publicly available data and incorporate the possibility of control strategy inclusion for use with the existing IES modeling, analysis, and optimization toolset. Simulations showcase the abilities of each technology to flexibly operate in ways consistent with IES operation expectations. When these models are available, they can be utilized within different integrated energy park concepts to understand optimal system operation, control, and dispatching. Moreover, given the generic nature of the models, industrial partner technologies can be quickly added to the repository using the existing models as a basis. Additional dynamic models for thermal energy storage concepts can be developed and added to the HYBRID repository as needed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Can machine learning accelerate process understanding and decision‐relevant predictions of river water quality?

Abstract The global decline of water quality in rivers and streams has resulted in a pressing need to design new watershed management strategies. Water quality can be affected by multiple stressors including population growth, land use change, global warming, and extreme events, with repercussions on human and ecosystem health. A scientific understanding of factors affecting riverine water quality and predictions at local to regional scales, and at sub‐daily to decadal timescales are needed for optimal management of watersheds and river basins. Here, we discuss how machine learning (ML) can enable development of more accurate, computationally tractable, and scalable models for analysis and predictions of river water quality. We review relevant state‐of‐the art applications of ML for water quality models and discuss opportunities to improve the use of ML with emerging computational and mathematical methods for model selection, hyperparameter optimization, incorporating process knowledge into ML models, improving explainablity, uncertainty quantification, and model‐data integration. We then present considerations for using ML to address water quality problems given their scale and complexity, available data and computational resources, and stakeholder needs. When combined with decades of process understanding, interdisciplinary advances in knowledge‐guided ML, information theory, data integration, and analytics can help address fundamental science questions and enable decision‐relevant predictions of riverine water quality.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Machine learning framework for predicting uranium enrichments from M400 CZT gamma spectra

A machine learning framework was developed for predicting uranium enrichments from M400 CZT gamma spectra. This framework leverages the availability of a large amount of measured M400 gamma spectra and uses a recently updated version of Gamma Detector Response and Analysis Software (GADRAS) for gamma spectrum analysis and generation. It also leverages the existing machine learning modules in Python for gamma spectrum data processing, curation, model training, benchmarking, and optimization of the deep machine learning models. The framework is used to develop a deep learning model to analyze gamma spectra from a set of U 3 O 8 samples with enrichments ranging from 0.31 to 93.17% and UF 6 cylinders with enrichments ranging from 0.2 to 4.95%, and the model performance is tested using a set of measured spectra and the respective declared enrichment values. Results show that the model can correctly classify 99.35% of the U 3 O 8 sample enrichments, and can predict the samples’ enrichments within an average absolute error of 0.099% (in percentage points of enrichment). For the UF 6 cylinders, the average absolute error was approximately 0.03%, with an accuracy of 98% in classifying discrete enrichment values of UF 6 samples. Finally, the results also show that the model has performed significantly better in terms of predicting enrichments in UF 6 cylinders based on measured gamma spectra than the GEM code, with a standard deviation (of the relative errors) of 2.23% (compared with the 11.51% value for the GEM code) based on results from a set of test data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Using ensembles and distillation to optimize the deployment of deep learning models for the classification of electronic cancer pathology reports

One of the goals of the Surveillance, Epidemiology, and End Results (SEER) program is to estimate incidence, prevalence, and mortality of all cancers. To that end, cancer registries across the country maintain a massive database of cancer pathology reports which contain rich information to understand cancer trends. However, these reports are stored in the form of unstructured text, and human annotators are required to read and extract relevant information. In this article, we show that existing deep learning models for automating information extraction from cancer pathology reports can be significantly improved by using ensemble model distillation. We found that by training multiple predictive models and transferring their knowledge to a single, low-resource model, we can reduce the number of highly confident wrong predictions. Our results show that our implemented methods could save 1000s of manual annotation hours.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Geomatchd

Geomatchd is a software tool to assist non-experts in the rapid conceptual design of geothermal district heating systems. This tool comprises three main parts: user-side heating and cooling demand profiles, district heating and cooling (DHC) network models for sizing and optimal layout selection, and geothermal system models for heat extraction calculation and cost comparison. The architecture of Geomatchd is opensource and is intended to simplify efforts by other coders to improve on existing functions, to add functions and to leverage available existing code and data – to improve the tool for public use. Geomatchd and the material supporting its development may provide a more intuitive window on district heating and the use of local shallow geothermal resources.

AS↗