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All sources NASA NTRS DOE OSTI

DOE OSTI2018

The multi-assumption architecture and testbed (MAAT v1.0): R code for generating ensembles with dynamic model structure and analysis of epistemic uncertainty from multiple sources

Abstract. Here, computer models are ubiquitous tools used to represent systems across many scientific and engineering domains. For any given system, many computer models exist, each built on different assumptions and demonstrating variability in the ways in which these systems can be represented. This variability is known as epistemic uncertainty, i.e. uncertainty in our knowledge of how these systems operate. Two primary sources of epistemic uncertainty are (1) uncertain parameter values and (2) uncertain mathematical representations of the processes that comprise the system. Many formal methods exist to analyse parameter-based epistemic uncertainty, while process-representation-based epistemic uncertainty is often analysed post hoc, incompletely, informally, or is ignored. In this model description paper we present the multi-assumption architecture and testbed (MAAT v1.0) designed to formally and completely analyse process-representation-based epistemic uncertainty. MAAT is a modular modelling code that can simply and efficiently vary model structure (process representation), allowing for the generation and running of large model ensembles that vary in process representation, parameters, parameter values, and environmental conditions during a single execution of the code. MAAT v1.0 approaches epistemic uncertainty through sensitivity analysis, assigning variability in model output to processes (process representation and parameters) or to individual parameters. In this model description paper we describe MAAT and, by using a simple groundwater model example, verify that the sensitivity analysis algorithms have been correctly implemented. The main system model currently coded in MAAT is a unified, leaf-scale enzyme kinetic model of C 3 photosynthesis. In the Appendix we describe the photosynthesis model and the unification of multiple representations of photosynthetic processes. The numerical solution to leaf-scale photosynthesis is verified and examples of process variability in temperature response functions are provided. For rapid application to new systems, the MAAT algorithms for efficient variation of model structure and sensitivity analysis are agnostic of the specific system model employed. Therefore MAAT provides a tool for the development of novel or toy models in many domains, i.e. not only photosynthesis, facilitating rapid informal and formal comparison of alternative modelling approaches.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1992

Track structure model of cell damage in space flight

The phenomenological track-structure model of cell damage is discussed. A description of the application of the track-structure model with the NASA Langley transport code for laboratory and space radiation is given. Comparisons to experimental results for cell survival during exposure to monoenergetic, heavy-ion beams are made. The model is also applied to predict cell damage rates and relative biological effectiveness for deep-space exposures.

Katz, Robert↗

DOE OSTI2014

Oscillating water column structural model

An oscillating water column (OWC) wave energy converter is a structure with an opening to the ocean below the free surface, i.e. a structure with a moonpool. Two structural models for a non-axisymmetric terminator design OWC, the Backward Bent Duct Buoy (BBDB) are discussed in this report. The results of this structural model design study are intended to inform experiments and modeling underway in support of the U.S. Department of Energy (DOE) initiated Reference Model Project (RMP). A detailed design developed by Re Vision Consulting used stiffeners and girders to stabilize the structure against the hydrostatic loads experienced by a BBDB device. Additional support plates were added to this structure to account for loads arising from the mooring line attachment points. A simplified structure was designed in a modular fashion. This simplified design allows easy alterations to the buoyancy chambers and uncomplicated analysis of resulting changes in buoyancy.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2019

Model Structure and Climate Data Uncertainty in Historical Simulations of the Terrestrial Carbon Cycle (1850–2014)

Abstract The divergence among Earth system models in the terrestrial carbon cycle has prompted interest in how to reduce uncertainty. Previous studies have identified model structural uncertainty arising from process parameterizations and parameter values. The current study highlights the importance of climate forcing in generating carbon cycle uncertainty. We use simulations in which three models (Community Land Model version 4 (CLM4), CLM4.5, CLM5) with substantially different carbon cycles are forced with two climate reconstructions (CRUNCEPv7, Global Soil Wetness Project 3 version 1 (GSWP3v1)) to examine the contributions of model structure and climate to uncertainty in the carbon cycle over the period 1850–2014. Climate uncertainty for global annual net biome production exceeds one third of total uncertainty (defined as the sum of climate and model structure uncertainty) in the first half of the twentieth century, but declines after the 1950s. Global annual gross primary productivity, net primary productivity, heterotrophic respiration, and vegetation and soil carbon stocks have substantial climate uncertainty (relative to total uncertainty) throughout the simulation period. Climate forcing contributes more than one half of total uncertainty for these carbon cycle fluxes and stocks throughout boreal North America and Eurasia, some midlatitude regions, and in eastern Amazonia and western equatorial Africa during the decade 2000–2009. Comparison with observationally based data sets of the carbon cycle using model benchmarking methods provides insight into strengths and deficiencies among models and climate forcings, but we caution against overreliance on benchmarking to discriminate among models. The conceptualization of uncertainty arising from this study implies embracing multiple feasible model simulations rather than focusing on which model or simulation is best.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1944

Applicability of Similarity Principles to Structural Models

A systematic account is given in part I of the use of dimensional analysis in constructing similarity conditions for models and structures. The analysis covers large deflections, buckling, plastic behavior, and materials with nonlinear stress-strain characteristics, as well as the simpler structural problems. (author)

Goodier, J N↗

NASA NTRS1984

Applications of model structure determination to flight test data

Several statistical and information criteria need to be considered when selecting an adequate model. Incorrect stability and control derivates result from inadequate aerodynamic model structure. Stepwise regression is used to determine the structure for an adequate model. Flight data which covers a nonlinear aerodynamic model range may be analyzed as a single data set or partitioned into several distinct sets. Stepwise regression for model structure detemination and parameter estimation was successfully applied to three aircraft types (single engine general aviation, unaugmented modern jet fighter, jet transport).

Batterson, J. G.↗

NASA NTRS1983

NASTRAN structural model for the large 64-meter antenna pedestal. Part 2: Improved model

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 improved pedestal model includes the launch areas and the actual pressure pattern of the oil under the hydrostatic bearing pad. The results obtained from the new improved model have indicated that the deflections due to pad loads are in good agreement with field measurements. The top surface deflection of the pedestal obtained from the NASTRAN model is used as an input to the oil film computer program to determine the minimum oil film thickness under the pad.

Chian, C. T.↗

NASA NTRS1984

Development of a thermal and structural model for a NASTRAN finite-element analysis of a hypersonic wing test structure

The development of a thermal and structural model for a hypersonic wing test structure using the NASTRAN finite-element method as its primary analytical tool is described. A detailed analysis was defined to obtain the temperature and thermal stress distribution in the whole wing as well as the five upper and lower root panels. During the development of the models, it was found that the thermal application of NASTRAN and the VIEW program, used for the generation of the radiation exchange coefficients, were definicent. Although for most of these deficiencies solutions could be found, the existence of one particular deficiency in the current thermal model prevented the final computation of the temperature distributions. A SPAR analysis of a single bay of the wing, using data converted from the original NASTRAN model, indicates that local temperature-time distributions can be obtained with good agreement with the test data. The conversion of the NASTRAN thermal model into a SPAR model is recommended to meet the immediate goal of obtaining an accurate thermal stress distribution.

Lameris, J.↗

NASA NTRS1983

Determination of airplane model structure from flight data using splines and stepwise regression

A procedure for the determination of airplane model structure from flight data is presented. The model is based on a polynomial spline representation of the aerodynamic coefficients, and the procedure is implemented by use of a stepwise regression. First, a form of the aerodynamic force and moment coefficients amenable to the utilization of splines is developed. Next, expressions for the splines in one and two variables are introduced. Then the steps in the determination of an aerodynamic model structure and the estimation of parameters are discussed briefly. The focus is on the application to flight data of the techniques developed.

Klein, V.↗

NASA NTRS1977

Structural model integrity

Many of the practical aspects and problems of ensuring the integrity of a structural model are discussed, as well as the steps which have been taken in the NASTRAN system to assure that these checks can be routinely performed. Model integrity as used applies not only to the structural model but also to the loads applied to the model. Emphasis is also placed on the fact that when dealing with substructure analysis, all of the checking procedures discussed should be applied at the lowest level of substructure prior to any coupling.

Wallerstein, D. V.↗

DOE OSTI2016

Screening sensitivity analysis of a PWR fuel assembly FEM structural model

Within the present project, computational methods to describe the static mechanical response of PWR fuel assemblies (FA) in the reactor core are developed. For this purpose a structural model of a PWR fuel assembly has been implemented with the Finite Element Method (FEM) using the ANSYS APDL Mechanical code. The purpose of the model is to investigate the long-term creep deformation of the fuel assemblies in the reactor core, commonly known as fuel assembly bow. FA bow is considered to be a complex process with a large number of influencing mechanisms and many only roughly known boundary conditions. Uncertainty and sensitivity analyses are a common way to investigate the predictive power and reliability of such complex models. Hence, as a first approach to understand the importance of the many model parameters, a qualitative sensitivity analysis of the model was conducted using the screening method proposed by Morris. In the first part of the paper, the FA structural model and its principal parameters are presented. The second part presents first the different simulation experiments used for the screening analyses. Based on the model description, relevant input parameters are then identified and a typical range of values is determined. The sensitivity analysis is performed in two subsequent steps. First, the model is screened for influential stiffness parameters with the objective of stiffening the FA structure. Second, the influence of the uncertain boundary conditions and material models on the FA creep deformation is tested. For the considered FA design it is concluded that the influence of the involved uncertainties is comparable to the influence of the parameters which can increase the stiffness. An integral approach accounting for these uncertainties is hence necessary to predict FA bow reliably in order to take additional measures for a further reduction of FA bow amplitudes. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

OpenMDlr: parallel, open-source tools for general protein structure modeling and refinement from pairwise distances

Easy-to-use, open-source, general-purpose programs for modeling a protein structure from inter-atomic distances are needed for modeling from experimental data and refinement of predicted protein structures. OpenMDlr is an open-source Python package for modeling protein structures from pairwise distances between any atoms, and optionally, dihedral angles. Finally, we provide a user-friendly input format for harnessing modern biomolecular force fields in an easy-to-install package that can efficiently make use of multiple compute cores.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1977

The use of a simplified structural model as an aid in the strain gage calibration of a complex wing

The use of a relatively simple structural model to characterize the load responses of strain gages located on various spars of a delta wing is examined. Strains measured during a laboratory load calibration of a wing structure are compared with calculations obtained from a simplified structural analysis model. Calculated and measured influence coefficient plots that show the shear, bending, and torsion characteristics of typical strain gage bridges are presented. Typical influence coefficient plots are shown for several load equations to illustrate the derivation of the equations from the component strain gage bridges. A relatively simple structural model was found to be effective in predicting the general nature of strain distributions and influence coefficient plots. The analytical processes are shown to be an aid in obtaining a good load calibration. The analytical processes cannot, however, be used in lieu of an actual load calibration of an aircraft wing.

Jenkins, J. M.↗

DOE OSTI2016

HAWC2 and BeamDyn: Comparison Between Beam Structural Models for Aero-Servo-Elastic Frameworks

This work presents a comparison of two beam codes for aero-servo-elastic frameworks: a new structural model for the aeroelastic code HAWC2 and a new nonlinear beam model, BeamDyn, for the aeroelastic modularization framework FAST v8. The main goal is to establish the suitability of the two approaches to model the structural behaviour of modern wind turbine blades in operation. Through a series of benchmarking structural cases of increasing complexity, the capability of the two codes to simulate highly nonlinear effects is investigated and analyzed. Results show that even though the geometrically exact beam theory can better model effects such as very large deflections, rotations, and structural couplings, an approach based on a multi-body formulation assembled through linear elements is capable of computing accurate solutions for typical nonlinear beam theory benchmarking cases.

17 WIND ENERGY↗

NASA NTRS1991

A discourse on sensitivity analysis for discretely-modeled structures

A descriptive review is presented of the most recent methods for performing sensitivity analysis of the structural behavior of discretely-modeled systems. The methods are generally but not exclusively aimed at finite element modeled structures. Topics included are: selections of finite difference step sizes; special consideration for finite difference sensitivity of iteratively-solved response problems; first and second derivatives of static structural response; sensitivity of stresses; nonlinear static response sensitivity; eigenvalue and eigenvector sensitivities for both distinct and repeated eigenvalues; and sensitivity of transient response for both linear and nonlinear structural response.

Adelman, Howard M.↗

DOE OSTI2016

HAWC2 and BeamDyn: Comparison Between Beam Structural Models for Aero-Servo-Elastic Frameworks: Preprint

17 WIND ENERGY↗

DOE OSTI2023

Structural Models of the Rhodopseudomonas palustris Proteome

This dataset contains the structural models for the primary transcripts of the Rhodopseudomonas palustris proteome. For each protein, the five models inferred from AlphaFold 2 are provided. The largest pTM-scoring model for each protein was energy minimized; this minimized structure as well as its AlphaFold pickle output file are also provided. This set of structures represent an alternate source of models for the R. palustris proteome to those available in the AlphaFold Protein Structure Database.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures

Structures of biomolecular systems are increasingly computed by integrative modeling. In this approach, a structural model is constructed by combining information from multiple sources, including varied experimental methods and prior models. In 2019, a Workshop was held as a Biophysical Society Satellite Meeting to assess progress and discuss further requirements for archiving integrative structures. The primary goal of the Workshop was to build consensus for addressing the challenges involved in creating common data standards, building methods for federated data exchange, and developing mechanisms for validating integrative structures. The summary of the Workshop and the recommendations that emerged are presented here.

59 BASIC BIOLOGICAL SCIENCES↗