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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 OSTI2025

Jacobian-based model diagnostics and application to equation oriented modeling of a carbon capture system

It can be difficult to identify the specific variables or equations responsible for convergence issues in large mathematical programming models. The Institute for the Design of Advanced Energy Systems Integrated Platform (IDAES-IP) contains a tool to identify poorly scaled constraints and variables by searching for rows and columns of the Jacobian matrix with small L2-norms. A singular value decomposition is then performed to identify degenerate sets of equations and remaining scaling issues. Here, this work presents a flowsheet developed for post-combustion carbon capture using a monoethanolamine (MEA) solvent system as a case study. This work takes the reader through the entire process of model diagnostics and reformulation, from a basic introduction to the mathematics behind these model diagnostics to the reformulations necessary to make the model numerically robust, including a significantly modified enhancement factor model.

IDAES↗
NASA NTRS2017

Educational and Scientific Applications of Climate Model Diagnostic Analyzer

Climate Model Diagnostic Analyzer (CMDA) is a web-based information system designed for the climate modeling and model analysis community to analyze climate data from models and observations. CMDA provides tools to diagnostically analyze climate data for model validation and improvement, and to systematically manage analysis provenance for sharing results with other investigators. CMDA utilizes cloud computing resources, multi-threading computing, machine-learning algorithms, web service technologies, and provenance-supporting technologies to address technical challenges that the Earth science modeling and model analysis community faces in evaluating and diagnosing climate models. As CMDA technology and infrastructure have matured, we have developed the educational and scientific applications of CMDA. Educationally, CMDA supported the summer school of the JPL Center for Climate Sciences in 2014, 2015, and 2016. In the summer school, the students work on group research projects where CMDA provide datasets, analysis tools, and provenance support utility tools. Each student is assigned to a virtual machine with CMDA installed in Amazon Web Services. Scientifically, we have developed several science use cases of CMDA covering various topics, datasets, and analysis types. Each of the science use cases is described in terms of a scientific goal, datasets used, the analysis tools used, scientific results discovered, an analysis result such as output plots and data files, and a link to the corresponding analysis service call with all the input arguments filled.

Bao, Qihao↗
DOE OSTI2021

Integrated assessment model diagnostics: key indicators and model evolution

Integrated assessment models (IAMs) form a prime tool in informing climate mitigation strategies. Diagnostic indicators that allow to compare these models can help to describe and explain differences in model projections. This also increases transparency and comparability. Earlier, the IAM community has developed an approach to diagnose models (Kriegler et al., 2015). Here we build on this, by proposing a selected set of well-defined indicators as a community standard, similar to metrics used for other modeling communities such as climate models. These indicators are the relative abatement index (RAI), emission reduction type index (ERT), inertia timescale (IT), fossil fuel reduction (FFR), transformation index (TI) and cost per abatement value (CAV). We apply the approach to 17 IAMs, including both older version as well as their latest versions, as applied in the IPCC 6th Assessment Report (AR6). The study shows that the approach can be easily applied and allows for comparison of model versions in time. The indicators and their trends can often be explained in terms of model characteristics and changes. We show that together, the set of six indicators can provide an useful indication of the main traits of the model and can roughly indicate the general model behavior. The results also show that there is often a considerable spread across the models. Interestingly, the diagnostic values often change for different model versions, but there does not seem to be a distinct trend across the different models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Model Diagnostics for Equation Oriented Models: Roadblocks and the Path Forward

This poster was presented at the Foundations of Computer Aided Process Design (FOCAPD) 2024 conference with a paper describing efforts to develop a unified workflow and toolbox for diagnosing issues in equation-oriented models as part of the IDAES modeling framework. The poster presents the work currently underway within the IDAES project to develop and integrate cutting edge model analysis techniques into a common toolbox and workflow for model developers to use.

Lee, Andrew↗
DOE OSTI2024

Model Diagnostics for Equation Oriented Models: Roadblocks and the Path Forward

Conference paper for FOCAPD24 describing efforts to develop a unified workflow and toolbox for diagnosing issues in equation-oriented models as part of the IDAES modeling framework. The paper presents the work currently underway within the IDAES project to develop and integrate cutting edge model analysis techniques into a common toolbox and workflow for model developers to use.

Lee, Andrew↗
NASA NTRS2015

Climate Model Diagnostic Analyzer

The comprehensive and innovative evaluation of climate models with newly available global observations is critically needed for the improvement of climate model current-state representation and future-state predictability. A climate model diagnostic evaluation process requires physics-based multi-variable analyses that typically involve large-volume and heterogeneous datasets, making them both computation- and data-intensive. With an exploratory nature of climate data analyses and an explosive growth of datasets and service tools, scientists are struggling to keep track of their datasets, tools, and execution/study history, let alone sharing them with others. In response, we have developed a cloud-enabled, provenance-supported, web-service system called Climate Model Diagnostic Analyzer (CMDA). CMDA enables the physics-based, multivariable model performance evaluations and diagnoses through the comprehensive and synergistic use of multiple observational data, reanalysis data, and model outputs. At the same time, CMDA provides a crowd-sourcing space where scientists can organize their work efficiently and share their work with others. CMDA is empowered by many current state-of-the-art software packages in web service, provenance, and semantic search.

cloud computing↗
DOE OSTI2024

Jacobian-based Model Diagnostics and Application to Equation Oriented Modeling of a Carbon Capture System

Equation-oriented (EO) modeling has the potential to enable the effective design and optimization of the operation of advanced energy systems. However, advanced modeling of energy systems results in a large number of variables and non-linear equations, and it can be difficult to search through these to identify the culprit(s) responsible for convergence issues. The Institute for the Design of Advanced Energy Systems Integrated Platform (IDAES-IP) contains a tool to identify poorly scaled constraints and variables by searching for rows and columns of the Jacobian matrix with small L2-norms so they can be rescaled. A further singular value decomposition can be per-formed to identify degenerate sets of equations and remaining scaling issues. This work presents an EO model of a flowsheet developed for post-combustion carbon capture using a monoethanolamine (MEA) solvent system as a case study. The IDAES diagnostics tools were successfully applied to this flowsheet to identify problems to improve model robustness and enable the optimization of process design and operating conditions of a carbon capture system.

Allan, Douglas↗
DOE OSTI2021

A Bayesian Calibration Framework with Embedded Model Error for Model Diagnostics

We study the utility and performance of a Bayesian model error embedding construction in the context of molecular dynamics modeling of metallic alloys, where we embed model error terms in existing interatomic potential model parameters. To alleviate the computational burden of this approach, we propose a framework combining likelihood approximation and Gaussian process surrogates. Here we leverage sparse Gaussian process techniques to construct a hierarchy of increasingly accurate but more expensive surrogate models. This hierarchy is then exploited by multilevel Markov chain Monte Carlo methods to efficiently sample from the target posterior distribution. We illustrate the utility of this approach by calibrating an interatomic potential model for a family of gold-copper alloys. In particular, this case study highlights effective means for dealing with computational challenges with Bayesian model error embedding in large-scale physical models, and the utility of embedded model error for model diagnostics.

Bayesian inference↗
DOE OSTI2023

Rainbows and Climate Change: A tutorial on climate model diagnostics and parameterization

Earth System Models (ESMs) must represent processes below the grid scale of a model using representations (parameterizations) of physical and chemical processes. As a tutorial exercise to understand diagnostics and parameterization, this work presents a representation of rainbows for an ESM: the Community Earth System Model version 2 (CESM2). Using the 'state' of the model, basic physical laws, and some assumptions, we generate a representation of this unique optical phenomena as a diagnostic output. Rainbow occurrence and it's possible changes are related to cloud occurrence and rain formation which are critical uncertainties for climate change prediction. The work highlights issues which are typical of many diagnostics parameterizations such as assumptions, uncertain parameters and the difficulty of evaluation against uncertain observations. Results agree qualitatively with limited available global 'observations' of Rainbows. Rainbows are seen in expected locations in the sub-tropics over the ocean where broken clouds and frequent precipitation occurs. The diurnal peak is in the morning over ocean and in the evening over land. The representation of rainbows is found to be quantitatively sensitive to the assumed amount of cloudiness and the amount of stratiform rain. Rainbows are projected to have decreased, mostly in the Northern Hemisphere, due to aerosol pollution effects increasing cloud coverage since 1850. In the future, continued climate change is projected to decrease cloud cover, associated with a positive cloud feedback. As a result the rainbow diagnostic projects that rainbows will increase in the future, with the largest changes at mid-latitudes. The diagnostic may be useful for assessing cloud parameterizations, and is an exercise in how to build and test parameterizations of atmospheric phenomena.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2002

New V and V Tools for Diagnostic Modeling Environment (DME)

The purpose of this report is to provide correctness and reliability criteria for verification and validation (V&V) of Second Generation Reusable Launch Vehicle (RLV) Diagnostic Modeling Environment, describe current NASA Ames Research Center tools for V&V of Model Based Reasoning systems, and discuss the applicability of Advanced V&V to DME. This report is divided into the following three sections: (1) correctness and reliability criteria; (2) tools for V&V of Model Based Reasoning; and (3) advanced V&V applicable to DME. The Executive Summary includes an overview of the main points from each section. Supporting details, diagrams, figures, and other information are included in subsequent sections. A glossary, acronym list, appendices, and references are included at the end of this report.

Pecheur, Charles↗
NASA NTRS1993

A diagnostic model to estimate winds and small-scale drag from Mars Observer PMIRR data

Theoretical and modeling studies indicate that small-scale drag due to breaking gravity waves is likely to be of considerable importance for the circulation in the middle atmospheric region (approximately 40-100 km altitude) on Mars. Recent earth-based spectroscopic observations have provided evidence for the existence of circulation features, in particular, a warm winter polar region, associated with gravity wave drag. Since the Mars Observer PMIRR experiment will obtain temperature profiles extending from the surface up to about 80 km altitude, it will be extensively sampling middle atmospheric regions in which gravity wave drag may play a dominant role. Estimating the drag then becomes crucial to the estimation of the atmospheric winds from the PMIRR-observed temperatures. An interative diagnostic model based upon one previously developed and tested with earth satellite temperature data will be applied to the PMIRR measurements to produce estimates of the small-scale zonal drag and three-dimensional wind fields in the Mars middle atmosphere. This model is based on the primitive equations, and can allow for time dependence (the time tendencies used may be based upon those computed in a Fast Fourier Mapping procedure). The small-scale zonal drag is estimated as the residual in the zonal momentum equation; the horizontal winds having first been estimated from the meridional momentum equation and the continuity equation. The scheme estimates the vertical motions from the thermodynamic equation, and thus needs estimates of the diabatic heating based upon the observed temperatures. The latter will be generated using a radiative model. It is hoped that the diagnostic scheme will be able to produce good estimates of the zonal gravity wave drag in the Mars middle atmosphere, estimates that can then be used in other diagnostic or assimilation efforts, as well as more theoretical studies.

Barnes, J. R.↗
NASA NTRS1981

The two-dimensional diagnostic model for tropospheric OH - An uncertainty analysis

Tropospheric OH is believed to play a major role in atmospheric photochemistry, and, via its chemical interactions OH ultimately may affect the climate, stratospheric ozone levels, and the pH of rain. A valuable tool for predicting the global OH abundance as a function of latitude and altitude is the two-dimensional diagnostic model for tropospheric OH. This model can also be applied to budget studies of species which interact with OH, such as CH4, CO, and O3. In addition to laboratory-obtained kinetic data, important variables include the rate constants for several reactions, the rate of heterogeneous removal of soluble species, and the global abundance and spatial variability in H2O, O3, CO, and NOx. The uncertainties in these parameters imply over a factor of 3 variability in the calculated global OH concentration as well as significant uncertainties in the latitudinal and vertical OH distribution.

Chameides, W. L.↗
NASA NTRS2011

Climate Model Diagnostic and Evaluation: With a Focus on Satellite Observations

Each year, we host a summer school that brings together the next generation of climate scientists - about 30 graduate students and postdocs from around the world - to engage with premier climate scientists from the Jet Propulsion Laboratory and elsewhere. Our yearly summer school focuses on topics on the leading edge of climate science research. Our inaugural summer school, held in 2011, was on the topic of "Using Satellite Observations to Advance Climate Models," and enabled students to explore how satellite observations can be used to evaluate and improve climate models. Speakers included climate experts from both NASA and the National Oceanic and Atmospheric Administration (NOAA), who provided updates on climate model diagnostics and evaluation and remote sensing of the planet. Details of the next summer school will be posted here in due course.

climate↗