Results for “integrable models” — Page 54

DOE OSTI2014

Monte Carlo study of efficiency roll-off of phosphorescent organic light-emitting diodes: Evidence for dominant role of triplet-polaron quenching

We present an advanced molecular-scale organic light-emitting diode (OLED) model, integrating both electronic and excitonic processes. Using this model, we can reproduce the measured efficiency roll-off for prototypical phosphorescent OLED stacks based on the green dye tris[2-phenylpyridine]iridium (Ir(ppy){sub 3}) and the red dye octaethylporphine platinum (PtOEP) and study the cause of the roll-off as function of the current density. Both the voltage versus current density characteristics and roll-off agree well with experimental data. Surprisingly, the results of the simulations lead us to conclude that, contrary to what is often assumed, not triplet-triplet annihilation but triplet-polaron quenching is the dominant mechanism causing the roll-off under realistic operating conditions. Simulations for devices with an optimized recombination profile, achieved by carefully tuning the dye trap depth, show that it will be possible to fabricate OLEDs with a drastically reduced roll-off. It is envisaged that J{sub 90}, the current density at which the efficiency is reduced to 90%, can be increased by almost one order of magnitude as compared to the experimental state-of-the-art.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2017

Feedback control design for non-inductively sustained scenarios in NSTX-U using TRANSP

This paper examines a method for real-time control of non-inductively sustained scenarios in NSTX-U by using TRANSP, a time-dependent integrated modeling code for prediction and interpretive analysis of tokamak experimental data, as a simulator. The actuators considered for control in this work are the six neutral beam sources and the plasma boundary shape. To understand the response of the plasma current, stored energy, and central safety factor to these actuators and to enable systematic design of control algorithms, simulations were run in which the actuators were modulated and a linearized dynamic response model was generated. A multi-variable model-based control scheme that accounts for the coupling and slow dynamics of the system while mitigating the effect of actuator limitations was designed and simulated. Simulations show that modest changes in the outer gap and heating power can improve the response time of the system, reject perturbations, and track target values of the controlled values.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Summary of UMI Chemical Work

Our initial work for the Urban Modeling Integration (UMI) project was to validate the QUIC model dense gas dispersion of chlorine advection up a ramp. The validation task was to use QUIC to model an experiment done in a wind tunnel. Naturally the QUIC model uses a slumping cylindrical model where inside the cylinder the gas is treated as dense but outside ideal. In trying to validate using the wind tunnel experiment, due to the scale of the wind tunnel experiment and ramp, The model formed a very clear, discrete, concentration barrier at the edge of the cylinder that likely doesn’t line up well with the real dense gas advection/diffusion. This effect is much less noticeable at a larger scale such as an instantaneous release of a 25 ton tank.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Characterizing permafrost soil active layer dynamics and sensitivity to landscape spatial heterogeneity in Alaska

An important feature of the Arctic is large spatial heterogeneity in active layer conditions, which is generally poorly represented by global models. In this study, we developed a spatially integrated modelling and analysis framework combining field observations, local scale (~ 50 m) active layer thickness (ALT) and soil moisture maps derived from airborne low frequency (L + P-band) radar measurements, and global satellite environmental observations to investigate the ALT sensitivity to recent climate trends and landscape heterogeneity in Alaska. Model simulated ALT results show good correspondence with in-situ measurements in higher permafrost probability (PP ≥ 70 %) areas (n = 33, R = 0.60, mean bias = 1.58 cm, RMSE = 20.32 cm). The model results also reveal widespread ALT deepening since 2001, with smaller ALT increases in northern Alaska (mean trend = 0.32 ± 1.18 cm yr -1 ) and much larger increases (> 3 cm yr -1 ) across interior and southern Alaska. The positive ALT trend coincides with regional warming and a longer snow-free season (R = 0.60 ± 0.32). Uncertainty in the spatial and vertical distribution of soil organic carbon (SOC) was found to be the most important factor affecting model ALT accuracy. Here, potential improvements in characterizing SOC heterogeneity, including better spatial sampling of soil conditions and advances in remote sensing of SOC and soil moisture, will enable more accurate predictions of permafrost active layer conditions.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1990

Tropical Pacific moisture variability

The objectives are to describe synoptic scale variability of moisture over the tropical Pacific Ocean and the systems leading to this variability; implement satellite analysis procedures in support of this effort, and to incorporate additional satellite information into operational analysis forecast systems at the National Meteorological Center (NMC). Composite satellite radiance patterns describe features detectable well before the development of synoptic scale tropical plumes. These typical features were extracted from historical files of Tiros Operational Vertical Sounder (TOVS) radiance observations for a pair of tropical plumes which developed during January 1989. Signals were inserted into the NMC operational medium range forecast model and a suite of model integrations were conducted. Many of the 48 h model errors of the historical forecasts were eliminated by the inclusion of more complete satellite observations. Three studies in satellite radiance analysis progressed. An analysis which blended TOVS moisture channels, OLR observations and European Center for Medium Weather Forecasts (ECMWF) model analysis to generate fields of total precipitable water comparable to those estimated from Scanning Multichannel Microwave Radiometer (SMMR) mu-wave observations. This study demonstrated that a 10 y climatology of precipitable water over the oceans is feasible, using available infrared observations (OLR and TOVS) and model analysis (ECMWF, NMC or similar quality). The estimates are sensitive to model quality and the estimating model must be updated with operational model changes. Coe developed a set of tropical plume and ITCZ composites from TOVS observations, and from NMC and ECMWF analyses which had been passed through a radiative transfer model to simulate TOVS radiances. The composites have been completed as well as many statistical diagnostics of individual TOVS channels. Analysis of the computations is commencing. Chung has initiated a study of the differences between TOVS observed vapor structure during El Nino Southern Oscillation (ENSO) (1983) and non-ENSO (1984) years. Preliminary diagnosis demonstrates gross moisture changes between warm and cold sea surface temperature episodes.

Mcguirk, James P.↗

NASA NTRS2005

Systems Engineering and Integration for Advanced Life Support System and HST

Systems engineering (SE) discipline has revolutionized the way engineers and managers think about solving issues related to design of complex systems: With continued development of state-of-the-art technologies, systems are becoming more complex and therefore, a systematic approach is essential to control and manage their integrated design and development. This complexity is driven from integration issues. In this case, subsystems must interact with one another in order to achieve integration objectives, and also achieve the overall system's required performance. Systems engineering process addresses these issues at multiple levels. It is a technology and management process dedicated to controlling all aspects of system life cycle to assure integration at all levels. The Advanced Integration Matrix (AIM) project serves as the systems engineering and integration function for the Human Support Technology (HST) program. AIM provides means for integrated test facilities and personnel for performance trade studies, analyses, integrated models, test results, and validated requirements of the integration of HST. The goal of AIM is to address systems-level integration issues for exploration missions. It will use an incremental systems integration approach to yield technologies, baselines for further development, and possible breakthrough concepts in the areas of technological and organizational interfaces, total information flow, system wide controls, technical synergism, mission operations protocols and procedures, and human-machine interfaces.

Kamarani, Ali K.↗

NASA NTRS2017

Models of Sector Flows Under Local, Regional and Airport Weather Constraints

Recently, the ATM community has made important progress in collaborative trajectory management through the introduction of a new FAA traffic management initiative called a Collaborative Trajectory Options Program (CTOP). FAA can use CTOPs to manage air traffic under multiple constraints (manifested as flow constrained areas or FCAs) in the system, and it allows flight operators to indicate their preferences for routing and delay options. CTOPs also permits better management of the overall trajectory of flights by considering both routing and departure delay options simultaneously. However, adoption of CTOPs in airspace has been hampered by many factors that include challenges in how to identify constrained areas and how to set rates for the FCAs. Decision support tools providing assistance would be particularly helpful in effective use of CTOPs. Such DSTs tools would need models of demand and capacity in the presence of multiple constraints. This study examines different approaches to using historical data to create and validate models of maximum flows in sectors and other airspace regions in the presence of multiple constraints. A challenge in creating an empirical model of flows under multiple constraints is a lack of sufficient historical data that captures diverse situations involving combinations of multiple constraints especially those with severe weather. The approach taken here to deal with this is two-fold. First, we create a generalized sector model encompassing multiple sectors rather than individual sectors in order to increase the amount of data used for creating the model by an order of magnitude. Secondly, we decompose the problem so that the amount of data needed is reduced. This involves creating a baseline demand model plus a separate weather constrained flow reduction model and then composing these into a single integrated model. A nominal demand model is a flow model (gdem) in the presence of clear local weather. This defines the flow as a function of weather constraints in neighboring regions, airport constraints and weather in locations that can cause re-routes to the location of interest. A weather constrained flow reduction model (fwx-red) is a model of reduction in baseline counts as a function of local weather. Because the number of independent variables associated with each of the two decomposed models is smaller than that with a single model, need for amount of data is reduced. Finally, a composite model that combines these two can be represented as fwx-red (gdem(e), l) where e represents non-local constraints and l represents local weather. The approaches studied to developing these models are divided into three categories: (1) Point estimation models (2) Empirical models (3) Theoretical models. Errors in predictions of these different types of models have been estimated. In situations when there is abundant data, point estimation models tend to be very accurate. In contrast, empirical models do better than theoretical models when there is some data available. The biggest benefit of theoretical models is their general applicability in wider range situations once the degree of accuracy of these has been established.

Kulkarni, Deepak↗

NASA NTRS2017

Models of Sector Aircraft Counts in the Presence of Local, Regional and Airport Constraints

Recently, the ATM community has made important progress in collaborative trajectory management through the introduction of a new FAA traffic management initiative called a Collaborative Trajectory Options Program (CTOP). FAA can use CTOPs to manage air traffic under multiple constraints (manifested as flow constrained areas or FCAs) in the system, and it allows flight operators to indicate their preferences for routing and delay options. CTOPs also permits better management of the overall trajectory of flights by considering both routing and departure delay options simultaneously. However, adoption of CTOPs in airspace has been hampered by many factors that include challenges in how to identify constrained areas and how to set rates for the FCAs. Decision support tools providing assistance would be particularly helpful in effective use of CTOPs. Such DSTs tools would need models of demand and capacity in the presence of multiple constraints. This study examines different approaches to using historical data to create and validate models of maximum flows in sectors and other airspace regions in the presence of multiple constraints. A challenge in creating an empirical model of flows under multiple constraints is a lack of sufficient historical data that captures diverse situations involving combinations of multiple constraints especially those with severe weather. The approach taken here to deal with this is two-fold. First, we create a generalized sector model encompassing multiple sectors rather than individual sectors in order to increase the amount of data used for creating the model by an order of magnitude. Secondly, we decompose the problem so that the amount of data needed is reduced. This involves creating a baseline demand model plus a separate weather constrained flow reduction model and then composing these into a single integrated model. A nominal demand model is a flow model (gdem) in the presence of clear local weather. This defines the flow as a function of weather constraints in neighboring regions, airport constraints and weather in locations that can cause re-routes to the location of interest. A weather constrained flow reduction model (fwx-red) is a model of reduction in baseline counts as a function of local weather. Because the number of independent variables associated with each of the two decomposed models is smaller than that with a single model, need for amount of data is reduced. Finally, a composite model that combines these two can be represented as fwx-red (gdem(e), l) where e represents non-local constraints and l represents local weather. The approaches studied to developing these models are divided into three categories: (1) Point estimation models (2) Empirical models (3) Theoretical models. Errors in predictions of these different types of models have been estimated. In situations when there is abundant data, point estimation models tend to be very accurate. In contrast, empirical models do better than theoretical models when there is some data available. The biggest benefit of theoretical models is their general applicability in wider range situations once the degree of accuracy of these has been established.

Kulkarni, Deepak↗

NASA NTRS2023

Digital Engineering Design Center (DEDC): Modelling an ISRU System

The DEDC provides immersive project-based learning on digital engineering toolsets and processes supporting NASA’s digital transformation goals: - Digital Engineering uses authoritative sources of systems' data and models as a continuum across disciplines to support integrated digital approach life cycle activities from concept through disposal. - The digital environment provided includes the state-of-the-art digital engineering suite, Siemens Xcelerator. The pilot project is developing an end-to-end integrated model of an In-Situ Resource Utilization (ISRU) system for commodities production: - ISRU uses local resources to provide mission consumables to enable a sustainable Moon or Mars surface presence. - The final digital twin product will include a methanation reactor, condenser, and electrolyzer subsystem.

Digital Engineering Design Center↗

NASA NTRSDate not supplied

Space Launch System: CLVTOPS Toolchain for SLS Liftoff Separation Analysis

This presentation showcases the unique technical capabilities of the CLVTOPS multi-body flight dynamics tool chain developed by Marshall Space Flight Center (MSFC) for analyzing NASA’s Space Launch System (SLS) liftoff events. The CLVTOPS tool chain integrates high-fidelity simulations, geometric algorithms, advanced data analytics, and post-flight telemetry to demonstrate positive clearance between separating bodies and inform design decisions that enhance mission reliability. Proper liftoff separation is crucial to the success of the launch vehicle’s mission; vehicle impacts with the launch tower and supporting components incur a heightened risk of mission failure. For liftoff analysis, the CLVTOPS tool chain enables the integration of vehicle, launch pad, and environmental input models for the investigation of key clearance effectors. Furthermore, a novel capability of the CLVTOPS tool chain allows for verification and validation of trajectory reconstruction via photogrammetric imagery analysis. The following sections will walk through the tool chain, SLS liftoff ground rules and assumptions, model integration, pre-flight verification, and post-flight validation of the Artemis I mission liftoff event.

CLVTOPS↗

DOE OSTI2021

Pyomo.GDP: an ecosystem for logic based modeling and optimization development

We present three core principles for engineering-oriented integrated modeling and optimization tool sets—intuitive modeling contexts, systematic computer-aided reformulations, and flexible solution strategies—and describe how new developments in Pyomo.GDP for Generalized Disjunctive Programming (GDP) advance this vision. We describe a new logical expression system implementation for Pyomo.GDP allowing for a more intuitive description of logical propositions. The logical expression system supports automated reformulation of these logical constraints to linear constraints. We also describe two new logic-based global optimization solver implementations built on Pyomo.GDP that exploit logical structure to avoid “zero-flow” numerical difficulties that arise in nonlinear network design problems when nodes or streams disappear. These new solvers also demonstrate the capability to link to external libraries for expanded functionality within an integrated implementation. We present these new solvers in the context of a flexible array of solution paths available to GDP models. Finally, we present results on a new library of GDP models demonstrating the value of multiple solution approaches.

42 ENGINEERING↗

DOE OSTI2024

Prediction of plant complex traits via integration of multi-omics data

The formation of complex traits is the consequence of genotype and activities at multiple molecular levels. However, connecting genotypes and these activities to complex traits remains challenging. Here, we investigate whether integrating genomic, transcriptomic, and methylomic data can improve prediction for six Arabidopsis traits. We find that transcriptome- and methylome-based models have performances comparable to those of genome-based models. However, models built for flowering time using different omics data identify different benchmark genes. Nine additional genes identified as important for flowering time from our models are experimentally validated as regulating flowering. Gene contributions to flowering time prediction are accession-dependent and distinct genes contribute to trait prediction in different genotypes. Models integrating multi-omics data perform best and reveal known and additional gene interactions, extending knowledge about existing regulatory networks underlying flowering time determination. These results demonstrate the feasibility of revealing molecular mechanisms underlying complex traits through multi-omics data integration.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

3D CAD Modeling and Mechanical Integration at the Mu2e Experiment at Fermilab

This abstract encapsulates a transformative summer internship at Fermilab, focusing on the Mu2e Experiment within the Mechanical Integration and 3D CAD Modeling group. The internship was characterized by a two-phase approach, with the initial month dedicated to the design of an aluminum platform tailored for DS Trench Maintenance. This phase encompassed a comprehensive exploration of structural integrity, material selection, and precision engineering principles, demonstrating an adeptness in CAD modeling and a keen eye for detail. The subsequent month saw a seamless transition into a dynamic phase of the project, wherein the intern played a pivotal role in effecting numerous adjustments across diverse sections of the 3D experiment structure. This phase demanded a nuanced understanding of the intricacies of the Mu2e Experiment and a high level of proficiency in CAD modeling.

3D CAD Modeling↗

DOE OSTI2023

Multiphysics Modeling of Hydrokinetic Turbine Energy Conversion System

Hydrokinetic turbines (HKTs) hold great promise as a renewable energy source, but high maintenance costs and limited energy output hinder their widespread adoption. The lack of comprehensive research on HKT drivetrain designs creates a knowledge gap in enhancing generation efficiency and cost reduction. A model of the HKT system with a focus on electric drivetrains and power converters is required to address this knowledge gap. This paper first introduces a MATLAB-averaged model integrating electrical-mechanical-thermal domains and aging behaviors within multi-time frames. Then a PLECS model, which incorporates maximum power point tracking and dq reference framed control for AC-DC-AC power converters, is enriched by a dynamic thermal model to predict fast transients accurately. These models optimize the design at the component level, resulting in improved integrated system performance. Furthermore, the validation of the models is carried out through hardware experiments for the averaged model and hardware-in-the-loop testing for the dynamic model.

ADVANCED PROPULSION SYSTEMS,HYDRO ENERGY↗

DOE OSTI2024

Real-time capable modeling of ICRF heating on NSTX and WEST via machine learning approaches

Abstract A real-time capable core Ion Cyclotron Range of Frequencies (ICRF) heating model on NSTX and WEST is developed. The model is based on two nonlinear regression algorithms, the random forest ensemble of decision trees and the multilayer perceptron neural network. The algorithms are trained on TORIC ICRF spectrum solver simulations of the expected flat-top operation scenarios in NSTX and WEST assuming Maxwellian plasmas. The surrogate models are shown to successfully capture the multi-species core ICRF power absorption predicted by the original model for the high harmonic fast wave and the ion cyclotron minority heating schemes while reducing the computational time by six orders of magnitude. Although these models can be expanded, the achieved regression scoring, computational efficiency and increased model robustness suggest these strategies can be implemented into integrated modeling frameworks for real-time control applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Impacts of elevated temperature on ant species, communities and ecological roles at two temperate forests in Eastern North America

Over the course of five years we have established a long-term array of warming chambers at Duke and Harvard Forest that simulate future conditions with regard to temperature. In these chambers, we have studied, ants, other animal taxa, fungi, bacteria and plants and their responses to the treatments. We have coupled these studies with lab experiments, large-scale observations, and models to contextualize our results. Finally, we have developed integrative models of the future distribution of species and their consequences as a result of warming in eastern North America and more generally.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS2012

Impact of Aerosols on Convective Clouds and Precipitation

Aerosols are a critical.factor in the atmospheric hydrological cycle and radiation budget. As a major agent for clouds to form and a significant attenuator of solar radiation, aerosols affect climate in several ways. Current research suggests that aerosols have a major impact on the dynamics, microphysics, and electrification properties of continental mixed-phase convective clouds. In addition, high aerosol concentrations in urban environments could affect precipitation variability by providing a significant source of cloud condensation nuclei (CCN). Such pollution . effects on precipitation potentially have enormous climatic consequences both in terms of feedbacks involving the land surface via rainfall as well as the surface energy budget and changes in latent heat input to the atmosphere. Basically, aerosol concentrations can influence cloud droplet size distributions, the warm-rain process, the cold-rain process, cloud-top heights, the depth of the mixed-phase region, and the occurrence of lightning. Recently, many cloud resolution models (CRMs) have been used to examine the role of aerosols on mixed-phase convective clouds. These modeling studies have many differences in terms of model configuration (two- or three-dimensional), domain size, grid spacing (150-3000 m), microphysics (two-moment bulk, simple or sophisticated spectral-bin), turbulence (1st or 1.5 order turbulent kinetic energy (TKE)), radiation, lateral boundary conditions (i.e., closed, radiative open or cyclic), cases (isolated convection, tropical or midlatitude squall lines) and model integration time (e.g., 2.5 to 48 hours). Among these modeling studies, the most striking difference is that cumulative precipitation can either increase or decrease in response to higher concentrations of CCN. In this presentation, we review past efforts and summarize our current understanding of the effect of aerosols on convective precipitation processes. Specifically, this paper addresses the following topics: observational evidence of the effect of aerosols on precipitation processes, and results from (CRM) simulations. Note that this presentation is mainly based on a recent paper published in Geophy. Rev. (Tao et al. 2012).

Tao, Wei-Kuo↗

DOE OSTI2016

Drivers of Change in Managed Water Resources: Modeling the Impacts of Climate and Socioeconomic Changes Using the US Midwest as a Case Study

A global integrated assessment model including a water-demand model driven by socio-economics, is coupled in a one-way fashion with a land surface hydrology – routing – water resources management model. The integrated modeling framework is applied to the U.S. Upper Midwest (Missouri, Upper Mississippi, and Ohio) to advance understanding of the regional impacts of climate and socio-economic changes on integrated water resources. Implications for future flow regulation, water supply, and supply deficit are investigated using climate change projections with the B1 and A2 emission scenarios, which affect both natural flow and water demand. Changes in water demand are driven by socio-economic factors, energy and food demands, global markets and prices. The framework identifies the multiple spatial scales of interactions between the drivers of changes (natural flow and water demand) and the managed water resources (regulated flow, supply and supply deficit). The contribution of the different drivers of change are quantified regionally, and also evaluated locally, using covariances. The integrated framework shows that water supply deficit is more predictable over the Missouri than the other regions in the Midwest. The predictability of the supply deficit mostly comes from long term changes in water demand although changes in runoff has a greater contribution, comparable to the contribution of changes in demand, over shorter time periods. The integrated framework also shows that spatially, water demand drives local supply deficit. Using elasticity, the sensitivity of supply deficit to drivers of change is established. The supply deficit is found to be more sensitive to changes in runoff than to changes in demand regionally. It contrasts with the covariance analysis that shows that water demand is the dominant driver of supply deficit over the analysed periods. The elasticity indicates the level of mitigation needed to control the demand in order to reduce the vulnerability of the integrated system in future periods. The elasticity analyses also emphasize the need to address uncertainty with respect to changes in natural flow in integrated assessment.

climate change, water resources management, socio-↗