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At least 613 records · Page 34

Verification of Reduced Order Modeling Based Uncertainty/Sensitivity Estimator (ROMUSE)

This article presents a number of verification case studies for a recently developed sensitivity/uncertainty code package. The code package, ROMUSE (Reduced Order Modeling based Uncertainty/Sensitivity Estimator) is an effort to provide an analysis tool to be used in conjunction with reactor core simulators, in particular the Virtual Environment for Reactor Applications (VERA) core simulator. ROMUSE has been written in C++ and is currently capable of performing various types of parameter perturbations and associated sensitivity analysis, uncertainty quantification, surrogate model construction and subspace analysis. The current version 2.0 has the capability to interface with the Design Analysis Kit for Optimization and Terascale Applications (DAKOTA) code, which gives ROMUSE access to the various algorithms implemented within DAKOTA, most importantly model calibration. The verification study is performed via two basic problems and two reactor physics models. The first problem is used to verify the ROMUSE single physics gradient-based range finding algorithm capability using an abstract quadratic model. The second problem is the Brusselator problem, which is a coupled problem representative of multi-physics problems. This problem is used to test the capability of constructing surrogates via ROMUSE-DAKOTA. Finally, light water reactor pin cell and sodium-cooled fast reactor fuel assembly problems are simulated via SCALE 6.1 to test ROMUSE capability for uncertainty quantification and sensitivity analysis purposes.

97 MATHEMATICS AND COMPUTING↗

A Theoretical Framework for Calibration in Computer Models: Parametrization, Estimation and Convergence Properties

Calibration parameters in deterministic computer experiments are those attributes that cannot be measured or available in physical experiments. Here, an approach to estimate them by using data from physical experiments and computer simulations. A theoretical framework is given which allows us to study the issues of parameter identifiability and estimation. We define the L 2 -consistency for calibration as a justification for calibration methods. It is shown that a simplified version of the original KO method leads to asymptotically L 2 -inconsistent calibration. This L 2 -inconsistency can be remedied by modifying the original estimation procedure. A novel calibration method, called the L 2 calibration, is proposed and proven to be L 2 -consistent and enjoys optimal convergence rate. Furthermore a numerical example and some mathematical analysis are used to illustrate the source of the L 2 -inconsistency problem.

97 MATHEMATICS AND COMPUTING↗

The Demand-Side Grid (dsgrid) Model Documentation

Electrical load is the backdrop for all power systems analysis. As a coequal partner in the supply-demand balance that must be maintained on electrical grids at all times and for all timescales, load is a major source of variability and uncertainty in grid operations. Despite this, utility load forecasting is typically done in a top-down manner that lacks the granularity in time, geography, end use, and technology that is needed to explore the potential impact of technological shifts; and many studies of future grid systems employ relatively simple scaling of historical loads, placing more emphasis on supply-side resources such as generation and transmission that are fewer in number and are better understood in terms of cost and performance. The primary purpose of the demand-side grid model (dsgrid) is to fill these gaps by creating comprehensive load data sets at a sufficient temporal, geographic, sectoral, and end-use resolution to enable detailed analyses of current patterns and future projections of end-use load. Furthermore, the dsgrid platform uses a bottom-up methodology that allows highly resolved analysis of 'what-if' scenarios. dsgrid leverages detailed sectoral energy models to provide hourly time series of load by subsector, end use, and county covering a full year. Although dsgrid currently emphasizes electricity load data, its component sector models for residential buildings, commercial buildings, and industry provide information on other fuel use, including natural gas. The data sets can thus be leveraged to support analysis of numerous demand-side technology-driven changes, such as energy efficiency, electrification, and operational flexibility (i.e., demand response). The electricity use data are time-synchronized with solar and wind data sets so as to be suitable for use in power systems analysis. This report documents dsgrid and its initial data set, which covers electricity demand in the contiguous United States for the historical year of 2012. We start with a historical year to enable model calibration and validation, as well as the development of a mathematical description of our model residuals that can be applied to future-year 'what-if' scenarios to remove known errors between our bottom-up modeling and historical load shapes. This work is part of the Electrification Futures Study (EFS), for which the dsgrid team will be developing future load snapshots that describe projected year 2050 under baseline and a range of electrification assumptions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Assessment of the NASA Glenn 8- by 6-Foot Supersonic Wind Tunnel Supersonic Test Section for Sonic Boom and Supersonic Testing

The NASA Glenn Research Center performed a Sonic Boom Exploratory test with Boeing as an industry partner. The test was performed in the transonic test section of the 8-by 6-foot supersonic wind tunnel (8x6 SWT) in 2012. Since that test, research has been performed to validate the suitability of the supersonic test section, located upstream of the 8x6 transonic test section. This little used upstream supersonic test section can be better for certain objectives in supersonic testing and sonic boom validation. Background pressure profiles were collected in a Mach number stability test (in 2014) with a sonic boom pressure measurement rail installed in the ceiling of the smooth supersonic test section. Results from this test demonstrated favorable background pressure profiles for future sonic boom validation tests. A preliminary supersonic test section calibration was performed in 2016, followed by a detailed calibration in 2020; which also demonstrated the stable and uniform flow characteristics in the supersonic test section. The calibration test utilized the transonic array and the cone-cylinder calibration model in the smooth supersonic test section of the 8x6 SWT. Completion of the calibration prepared the facility for sonic boom assessments of the Low Boom Flight Demonstrator.

Sonic Boom↗

MULTI-FIDELITY MODELING AND UNCERTAINTY QUANTIFICATION OF INVERTER BASED RESOURCES IN INTEGRATED T&D SYSTEMS

Uncertainty quantification plays a pivotal role in improving the accuracy and reliability of inverter operation within modern power systems that are increasingly dominated by inverter-based resources (IBRs). IBRs, especially those operating under grid forming (GFM) control, rely heavily on a complex set of control parameters and system measurements to maintain voltage, frequency, and power balance. Traditional deterministic modeling approaches often fail to capture these parameter deviations, potentially resulting in suboptimal control actions, reduced system stability, or even instability under high penetration of IBRs. In this paper, we demonstrate the application of model calibration and uncertainty quantification (UQ) principles to an integrated transmission and distribution (T&D) model involving a GFM converter and provide a framework for prioritizing control improvements, guiding robust design, and informing adaptive strategies that can accommodate real-time variability in system conditions. The proposed approach could be valuable in enhancing the robustness of current and future power systems under increased IBR penetrations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Application of Ensemble Detection and Analysis to Modeling Uncertainty in Non Stationary Process

Characterization of non stationary and nonlinear processes is a challenge in many engineering and scientific disciplines. Climate change modeling and projection, retrieving information from Doppler measurements of hydrometeors, and modeling calibration architectures and algorithms in microwave radiometers are example applications that can benefit from improvements in the modeling and analysis of non stationary processes. Analyses of measured signals have traditionally been limited to a single measurement series. Ensemble Detection is a technique whereby mixing calibrated noise produces an ensemble measurement set. The collection of ensemble data sets enables new methods for analyzing random signals and offers powerful new approaches to studying and analyzing non stationary processes. Derived information contained in the dynamic stochastic moments of a process will enable many novel applications.

Racette, Paul↗

A Methodology to Create Prototypical Building Energy Models for Existing Buildings: A Case Study on U.S. Religious Worship Buildings

Prototypical building energy models are of great significance because they are the starting point in conducting analyses for various applications, such as building energy saving potential analysis, building design, building energy market evaluation, and building energy policy-making. However, current prototypical building energy models only represent limited types of buildings in certain countries. To fill the gap, this paper proposes a methodology to systematically create prototypical building energy models. First, a six-step methodology is introduced: model input identification, data collection, data cleaning, data conversion, model simulation, and model calibration. Then, the methodology is demonstrated by a case study of creating 30 prototypical energy models for U.S. religious worship buildings, representing buildings in 15 climate zones and 2 vintages (pre- and post-1980). Finally, to show the applications of the models, the building energy saving potentials from six efficiency measures are analyzed for pre-1980 U.S. religious worship buildings in three ASHRAE Climate Zones. The results show that the maximum energy saving potentials are approximately 30% for the religious worship buildings in all three climate zones investigated.

prototype building model, building simulation, Bui↗

Coarse-Grained Reactive Molecular Dynamics Simulations of Heterogeneities in Shocked Energetic Materials (LDRD Final Report)

This report summarizes the result of LDRD project 16-0161, titled "Coarse-Grained Re- active Molecular Dynamics Simulations of Heterogeneities in Shocked Energetic Materials." The purpose of the project was to develop a coarse-grained reactive molecular dynamics capability in LAMMPS enabling simulations of initiation in energetic materials comparable in accuracy to what is currently possible using large-scale reactive molecular dynamics, but with greatly reduced computational cost. The starting point for this work was the reactive dissipative particle dynamics (DPD) approach, which has been implemented as the new USER-DPD package in LAMMPS by researchers at Army Research Laboratory. Using modified versions of the examples provided with the new package, we examined the computational efficiency of the method, as well as its ability to model energy release in energetic materials. We observed that the Shardlow splitting method provides a great speed and accuracy advantage over conventional velocity Verlet time integration. We observed that the generic model of an energetic material provided with the USER-DPD package exhibited incomplete reaction under constant volume conditions. This was caused by quenching of the internal temperature of the molecules due to a rapid build-up of repulsive interactions between product gas components under constant volume conditions. Under constant pressure conditions, complete reaction was observed, as volume expansion prevented the buildup of strong repulsive interactions. Finally, a more realistic model calibrated to reproduce the equation of state of the RDX molecular crystal was examined. This model exhibited much less quenching of the internal temperature under constant volume conditions and reacted very rapidly under constant pressure conditions.

74 ATOMIC AND MOLECULAR PHYSICS↗

Practice and philosophy of climate model tuning across six US modeling centers

Model calibration (or tuning ) is a necessary part of developing and testing coupled ocean–atmosphere climate models regardless of their main scientific purpose. There is an increasing recognition that this process needs to become more transparent for both users of climate model output and other developers. Knowing how and why climate models are tuned and which targets are used is essential to avoiding possible misattributions of skillful predictions to data accommodation and vice versa. This paper describes the approach and practice of model tuning for the six major US climate modeling centers. While details differ among groups in terms of scientific missions, tuning targets, and tunable parameters, there is a core commonality of approaches. Furthermore, practices differ significantly on some key aspects, in particular, in the use of initialized forecast analyses as a tool, the explicit use of the historical transient record, and the use of the present-day radiative imbalance vs. the implied balance in the preindustrial era as a target.

58 GEOSCIENCES↗

Large eddy simulation of a boundary layer with concave streamwise curvature

One of the most exciting recent developments in the field of large eddy simulation (LES) is the dynamic subgrid-scale model. The dynamic model concept is a general procedure for evaluating model constants by sampling a band of the smallest scales actually resolved in the simulation. To date, the procedure has been used primarily in conjunction with the Smagorinsky model. The dynamic procedure has the advantage that the value of the model constant need not be specified a priori, but rather is calculated as a function of space and time as the simulation progresses. This feature makes the dynamic model especially attractive for flows in complex geometries where it is difficult or impossible to calibrate model constants. The dynamic model was highly successful in benchmark tests involving homogeneous and channel flows. Having demonstrated the potential of the dynamic model in these simple flows, the overall direction of the LES effort at CTR shifted toward an evaluation of the model in more complex situations. The current test cases are basic engineering-type flows for which Reynolds averaged approaches were unable to model the turbulence to within engineering accuracy. Flows currently under investigation include a backward-facing step, wake behind a circular cylinder, airfoil at high angles of attack, separated flow in a diffuser, and boundary layer over a concave surface. Preliminary results from the backward-facing step and cylinder wake simulations are encouraging. Progress on the LES of a boundary layer on a concave surface is discussed. Although the geometry of a concave wall is not very complex, the boundary layer that develops on its surface is difficult to model due to the presence of streamwise Taylor-Gortler vortices. These vortices arise as a result of a centrifugal instability associated with the convex curvature.

Lund, Thomas S.↗

Three-Component Force Measurements on a Scramjet in a Reflected-Shock Tunnel

A three-component stress-wave force-balance for a large scramjet has been designed, calibrated and tested in the HYPULSE reflected shock tunnel at GASL Inc., New York. The scramjet model is over 3-foot long and weighs in excess of 90 Ibm. The stress-wave force-balance is comprised of three stress bars which are attached to the model. Calibration results indicate that the force balance responds well within about 1 ms and that the sensitivity of the balance to the distribution of load is not large. Results with and without fuel injection were obtained in the tunnel operated for Mach 7 and Mach 10 flight simulation. These tests showed the force-balance can resolve axial force increments due to combustion of about 40 lb in the presence of model lift forces of 500-700 lb.

Tsai, C.-Y.↗

Automatic calibration of space based manipulators and mechanisms

Four tasks in manipulator kinematic calibration are summarized. Calibration of a seven degree of freedom manipulator was simulated. A calibration model is presented that can be applied on a closed-loop robot. It is an expansion of open-loop kinematic calibration algorithms subject to constraints. A closed-loop robot with a five-bar linkage transmission was tested. Results show that the algorithm converges within a few iterations. The concept of model differences is formalized. Differences are categorized as structural and numerical, with emphasis on the structural. The work demonstrates that geometric manipulators can be visualized as points in a vector space with the dimension of the space depending solely on the number and type of manipulator joint. Visualizing parameters in a kinematic model as the coordinates locating the manipulator in vector space enables a standard evaluation of the models. Key results include a derivation of the maximum number of parameters necessary for models, a formal discussion on the inclusion of extra parameters, and a method to predetermine a minimum model structure for a kinematic manipulator. A technique is presented that enables single point sensors to gather sufficient information to complete a calibration.

Everett, Louis J.↗

SWOT Applications in Alaska

Use of SWOT for model calibration and assimilation are encouraging, but further work is needed: account for uncertainty in meteorological forcing (calibration) and apply ensemble Kalman Smoother (data assimilation). Lessons learned can inform development of operational NOAA National Water Model Alaskan domain and other SWOT applications.

SWOT↗

Modeling the Impacts of Hydrogen Extraction on Anaerobic Fermentation Systems Using a Modified ADM1 Model

Here, this paper presents a modified ADM1 (mADM1) model for use in assessing the influence of active dissolved H 2 extraction on biogas production from anaerobic fermentation reactors, specifically in the context of high-strength brewery wastewater as the feed. The modified model adds regulation factors to account for the varying product stoichiometry of glucose degradation reactions as a function of H 2 concentration in anaerobic digestion, and incorporates the use of both lactate and ethanol as intermediates. The changes to the model are expected to better predict the effects of H 2 removal on the production of H 2 in fermentation processes. Both ADM1 and mADM1 were calibrated against experimental data from a fluidized-bed reactor containing encapsulated acidogenic-acetogenic microbial communities treating real brewery wastewater. The calibrated models were validated against another fluidized-bed reactor identical to the calibration reactor, with the addition of a hollow-fiber membrane module that was used to reduce dissolved H 2 concentrations in the validation reactor. It was found that ADM1 over-estimated the H 2 production rates of the validation reactor (117 mL/day simulated vs. 16.48 mL/day experimental), whereas mADM1 was able to successfully predict fermentation, and specifically the H 2 production rate (17 mL/day). The presented model is a first step towards a model that can predict the effects of dissolved H 2 removal on fermentation processes.

Anaerobic Digestion↗

Combined selection of the dynamic model and modeling error in nonlinear aeroelastic systems using Bayesian Inference

Here, we report a Bayesian framework for concurrent selection of physics-based models and (modeling) error models. We investigate the use of colored noise to capture the mismatch between the predictions of calibrated models and observational data that cannot be explained by measurement error alone within the context of Bayesian estimation for stochastic ordinary differential equations. Proposed models are characterized by the average data-fit, a measure of how well a model fits the measurements, and the model complexity measured using the Kullback–Leibler divergence. The use of a more complex error models increases the average data-fit but also increases the complexity of the combined model, possibly over-fitting the data. Bayesian model selection is used to find the optimal physical model as well as the optimal error model. The optimal model is defined using the evidence, where the average data-fit is balanced by the complexity of the model. The effect of colored noise process is illustrated using a nonlinear aeroelastic oscillator representing a rigid NACA0012 airfoil undergoing limit cycle oscillations due to complex fluid–structure interactions. Several quasi-steady and unsteady aerodynamic models are proposed with colored noise or white noise for the model error. The use of colored noise improves the predictive capabilities of simpler models.

42 ENGINEERING↗

Water absorption and shrinkage behaviour of early-age cement in wellbore annulus

Controlling cement shrinkage in a wellbore is well-known as being important in maintaining its integrity. Although numerous laboratory experiments on the water absorption and shrinkage behaviour of oil well cement have been reported in the past, such behaviour in the wellbore annulus with consideration of pore water migration from the surrounding formation has seldom been examined. In this study, using a cement shrinkage model calibrated against available experimental data, a coupled hydromechanical finite element analysis of a cement-formation model is conducted to simulate the water migration, absorption and shrinkage behaviour of early-age cement placed in the annulus of a wellbore. The objectives of this study are (i) to identify the threshold permeability value of the formation above which there is no longer a bottleneck for pore water to flow into the cement and (ii) to estimate a reasonable range of cement bulk shrinkage volume in wellbore annulus geometry. Results show that the threshold permeability of the formation would be around 0.1 mD for three different types of cement examined in this study: Class G cement, rapid setting (RS) cement and Schlumberger optimized particle size distribution (OPSD) technology cement. The bulk shrinkage volume varies from 0.01% to 2.4% depending on cement type and formation permeability (1 mD to 0.1 μD). Finally, the proposed methodology facilitates the simulation of water migration/absorption and shrinkage behaviour of well cement in different formations.

02 PETROLEUM↗

Intensified Soil Moisture Extremes Decrease Soil Organic Carbon Decomposition: A Mechanistic Modeling Analysis

Earth system models have predicted that there will be more frequent and severe precipitation and drought events in terrestrial ecosystems. Microbially mediated decomposition of soil organic carbon (SOC) tends to increase as soils wet and decrease as soils dry. However, the long-term SOC change under intensified moisture extremes remains poorly known as it depends on the frequency and intensity of soil drying and wetting. In this study, we explored long-term SOC dynamics under scenarios of alternating drying-wetting cycles using the Microbial-ENzyme Decomposition model, a mechanistic microbial model. The model was parameterized with 11 years of observations from a temperate deciduous broadleaf forest site, showing satisfactory model performance in both model calibration (R 2 = 0.67) and validation (R 2 = 0.69) against heterotrophic respiration. We then used the model to simulate the long-term SOC dynamics under five scenarios of alternating drying-wetting cycles with different frequencies and severities over a period of 100 years. Results showed that the changes in active microbial biomass C and the corresponding turnover rates of SOC pools were more sensitive to soil drying than soil wetting. As a result, the cumulative soil carbon emission from microbial respiration decreased by 433.7 g C m -2 after the 100-year simulation in the highest frequency and intensity moisture scenario, but was not significantly affected by the lowest frequency and intensity scenario. This study emphasizes the nonlinear response of SOC decomposition to soil moisture changes, which causes decreased decomposition by microbes under drying that is, not compensated by increased decomposition under wetting conditions.

58 GEOSCIENCES↗

Final Technical Report for "Collaborative Research. Regional climate-change projections through next-generation empirical and dynamical models"

This project was a continuation of previous work under DOE CCPP funding in which we developed a twin approach of non-homogeneous hidden Markov models (NHMMs) and coupled ocean-atmosphere (O-A) intermediate-complexity models (ICMs) to identify the potentially predictable modes of climate variability, and to investigate their impacts on the regional-scale. We have developed a family of latent-variable NHMMs to simulate historical records of daily rainfall, and used them to downscale seasonal predictions. We have also developed empirical mode reduction (EMR) models for gaining insight into the underlying dynamics in observational data and general circulation model (GCM) simulations. Using coupled O-A ICMs, we have identified a new mechanism of interdecadal climate variability, involving the midlatitude oceans mesoscale eddy field and nonlinear, persistent atmospheric response to the oceanic anomalies. A related decadal mode is also identified, associated with the oceans thermohaline circulation. The goal of the continuation was to build on these ICM results and NHMM/EMR model developments and software to strengthen two key pillars of support for the development and application of climate models for climate change projections on time scales of decades to centuries, namely: (a) dynamical and theoretical understanding of decadal-to-interdecadal oscillations and their predictability; and (b) an interface from climate models to applications, in order to inform societal adaptation strategies to climate change at the regional scale, including model calibration, correction, downscaling and, most importantly, assessment and interpretation of spread and uncertainties in multi-model ensembles. Our main results from the grant consist of extensive further development of the hidden Markov models for rainfall simulation and downscaling specifically within the non-stationary climate change context together with the development of parallelized software; application of NHMMs to downscaling of rainfall projections over India; identification and analysis of decadal climate signals in data and models; and, studies of climate variability in terms of the dynamics of atmospheric flow regimes. Each of these project components is elaborated on below, followed by a list of publications resulting from the grant.

54 ENVIRONMENTAL SCIENCES↗