Search NASA⌕ Search

SEARCH · Search NASA

Results for “Model development”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Building Energy Model Development for Retrofit Homes

Based on previous research conducted by Pacific Northwest National Laboratory and Florida Solar Energy Center providing technical assistance to implement 23 deep energy retrofits across the nation, six homes were selected in Florida and Texas for detailed post-retrofit energy modeling to assess realized energy savings (Chandra et al, 2012). Of these homes, three homes in San Antonio were selected for detailed analysis of post-retrofit energy use and realized energy savings. The actual savings achieved in these homes post-retrofit, as determined by a utility bill comparison, is presented. For the three metered homes in Florida, no pre-retrofit utility bills are available, so a utility bill comparison to determine realized savings is not possible. Assessing realized savings can be difficult for some homes where pre-retrofit occupancy and energy performance are unknown. Initially, savings had been estimated using a HERS Index comparison for these homes. However, this does not account for confounding factors such as occupancy and weather. This research also addresses a method to more reliably assess energy savings achieved in deep energy retrofits for which pre-retrofit utility bills or occupancy information is not available.

energy efficiency↗
DOE OSTI2020

Process Model Development and Experimental Investigation for Spent Fuel Disposal in Crystalline Rocks: FY20 Report.

The U.S. Department of Energy Office of Spent Fuel Waste Disposition (SFWD) established in fiscal year 2010 (FY10) the Spent Fuel Waste Science & Technology (SFWST) Program (formerly the Used Fuel Disposition Campaign - UFDC) program to conduct the research and development (R&D) activities related to storage, transportation and disposal of used nuclear fuel and high level nuclear waste. The Mission of the SFWST is: To identify alternatives and conduct scientific research and technology development to enable storage, transportation and disposal of used nuclear fuel and wastes generated by existing and future nuclear fuel cycles. Significant progress has been made in FY20 in both experimental and modeling arenas in evaluation of used fuel disposal in crystalline rocks, especially in model demonstration using field data. The work covers a wide range of research topics identified in the R&D plan.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Model Development of Degradation of PV Modules Backsheet with Locating Place of Module

Performance of a photovoltaic (PV) module is related to the micro-environment around the module. The position of photovoltaic modules in an array row have a large effect on the yellowing and gloss of PV module backsheet exposed in Dfa climatic zone (Gaithersburg, MD) with a polyethylene naphthalate (PEN) outer layer. Stress/Response models of yellowing and gloss-losing as function of location parameters of module, including the shed, row, measurement position in a same module and the distance of module location to the row center, are under development. The module installation height had the greatest influence on degradation of PEN PV backsheet in the Dfa climatic zone. The module backsheets at the end of an array have higher degradation rate (edge effect). The edge effect decreases with increasing of module installation heights.

14 SOLAR ENERGY↗
DOE OSTI2012

Effect of Terrestrial and Marine Organic Aerosol on Regional and Global Climate: Model Development, Application, and Verification with Satellite Data

In this DOE project the improvements to parameterization of marine primary organic matter (POM) emissions, hygroscopic properties of marine POM, marine isoprene derived secondary organic aerosol (SOA) emissions, surfactant effects, new cloud droplet activation parameterization have been implemented into Community Atmosphere Model (CAM 5.0), with a seven mode aerosol module from the Pacific Northwest National Laboratory (PNNL)'s Modal Aerosol Model (MAM7). The effects of marine aerosols derived from sea spray and ocean emitted biogenic volatile organic compounds (BVOCs) on microphysical properties of clouds were explored by conducting 10 year CAM5.0-MAM7 model simulations at a grid resolution 1.9° by 2.5° with 30 vertical layers. Model-predicted relationship between ocean physical and biological systems and the abundance of CCN in remote marine atmosphere was compared to data from the A-Train satellites (MODIS, CALIPSO, AMSR-E). Model simulations show that on average, primary and secondary organic aerosol emissions from the ocean can yield up to 20% increase in Cloud Condensation Nuclei (CCN) at 0.2% Supersaturation, and up to 5% increases in droplet number concentration of global maritime shallow clouds. Marine organics were treated as internally or externally mixed with sea salt. Changes associated with cloud properties reduced (absolute value) the model-predicted short wave cloud forcing from -1.35 Wm -2 to -0.25 Wm -2 . By using different emission scenarios, and droplet activation parameterizations, this study suggests that addition of marine primary aerosols and biologically generated reactive gases makes an important difference in radiative forcing assessments. All baseline and sensitivity simulations for 2001 and 2050 using global-through-urban WRF/Chem (GU-WRF) were completed. The main objective of these simulations was to evaluate the capability of GU-WRF for an accurate representation of the global atmosphere by exploring the most accurate configuration of physics options in GWRF for global scale modeling in 2001 at a horizontal grid resolution of 1° x 1°. GU-WRF model output was evaluated using observational datasets from a variety of sources including surface based observations (NCDC and BSRN), model reanalysis (NCEP/ NCAR Reanalysis and CMAP), and remotely-sensed data (TRMM) to evaluate the ability of GU-WRF to simulate atmospheric variables at the surface as well as aloft. Explicit treatment of nanoparticles produced from new particle formation in GU-WRF/Chem-MADRID was achieved by expanding particle size sections from 8 to 12 to cover particles with the size range of 1.16 nm to 11.6m. Simulations with two different nucleation parameterizations were conducted for August 2002 over a global domain at a 4º by 5º horizontal resolution. The results are evaluated against field measurement data from the 2002 Aerosol Nucleation and Real Time Characterization Experiment (ANARChE) in Atlanta, Georgia, as well as satellite and reanalysis data. We have also explored the relationship between clean marine aerosol optical properties and ocean surface wind speed using remotely sensed data from the Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) on board the CALIPSO satellite and the Advanced Microwave Scanning Radiometer (AMSR-E) on board the AQUA satellite. Detailed data analyses were carried out over 15 regions selected to be representative of different areas of the global ocean for the time period from June 2006 to April 2011. We show that for very low (less than 4 m s -1 ) and very high (more than 12 m s -1 ) wind speed conditions the mean CALIPSO-derived aerosol optical depth (AOD) has little dependency on the surface wind speed. For an intermediate (between 4 and 12 m s -1 ) marine AOD was linearly correlated with the surface wind speed values, with a slope of 0.0062 s m -1 . Results of our study suggest that considerable improvements to both optical properties of marine aerosols and their production mechanisms can be achieved by discriminating clean marine aerosols (or sea salt particles) from all other types of aerosols present over the ocean.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

High-fidelity simulation-driven model development for coarse-grained computational fluid dynamics

Nuclear reactor safety analysis requires analysis of a broad range of accident scenarios and determining their consequences. For a nuclear power plant behavior, it is impossible to obtain experimental data at sufficiently large scales to support calibration and validation of various system models. In single-phase flow convective problems, high-resolution methods of Computational Fluid Dynamics (CFD) such as Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES) can provide high fidelity results under conditions where physical measurements are unavailable. However, such high-resolution simulations are computationally expensive and not suitable for simulation of long transient scenarios in nuclear reactor accidents. In this work, we investigate the use of a high fidelity simulation-driven approach to model sub-grid scale (SGS) effect in Coarse Grained Computational Fluid Dynamics CG-CFD. Notably, fine-mesh simulations are used to construct physics-informed statistical surrogate of coarse-mesh SGS model. For an initial analysis, we consider a case of turbulent natural convection in a volumetrically heated fluid layer with a thermally insulated lower boundary and isothermal upper boundary. This scenario of unstable stratification is relevant to turbulent natural convection in a severe nuclear reactor accident, as well as in containment mixing and passive cooling. For this type of flow, the SGS effect is modeled by an added turbulent diffusivity in the energy equation. It is shown that a global correction for the energy equation is sufficient to achieve a significant improvement to the CG-CFD prediction of thermal mixing in the fluid layer. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

System of Systems Model Development for Evaluating EMP Resilient Grid Mitigation Strategies

This Laboratory Directed Research and Development (LDRD) project focused on understanding the mathematical relationships that can be used in assessing the value of executing various EMP mitigation strategies on the grid. This is referred to as the EMP Resilient Grid Value Model. Because the range of mitigation strategies can contain widely differing characteristics (operational vs. technological), it is necessary to compute functions of many interrelated metrics at varying levels of fidelity that will be used to provide feedback as to the cost/benefit relationship of any proposed strategy. The value model is a hierarchical decomposition of a system of systems (SoS) model down to a grid circuit model. The model is intended to be suitable for use in subsequent decision support optimization for resilience to EMP events. The metric set goes beyond direct, technical impacts on the electrical grid to include ancillary impacts on dependent infrastructure and enterprise concerns (water, DoD, transportation, etc.).

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Modelling Development in Radical (Co)Polymerization of Multivinyl Monomers

Radical polymerization (RP) of multivinyl monomers (MVMs) provides a facile solution for manipulating polymer topology and has received increasing attention due to their industrial and academic significance. Continuous efforts have been made to understand their mechanism, which is the key to regulating materials structure. Modelling techniques have become a powerful tool that can provide detailed information on polymerization kinetics which is inaccessible by experiments. Many publications have reported the combination of experiments and modelling for free radical polymerization (FRP) and reversible-deactivation radical polymerizations (RDRP) of MVMs. Herein, a minireview is presented for the most important modelling techniques and their applications in FRP/RDRP of MVMs. This review hopes to illustrate that the combination of modelling and wet experiments can be a great asset to polymer researchers and inspire new thinking for the future MVMs experiment optimization and product design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Genome-scale model development and genomic sequencing of the oleaginous clade Lipomyces

The Lipomyces clade contains oleaginous yeast species with advantageous metabolic features for biochemical and biofuel production. Limited knowledge about the metabolic networks of the species and limited tools for genetic engineering have led to a relatively small amount of research on the microbes. Here, a genome-scale metabolic model (GSM) of Lipomyces starkeyi NRRL Y-11557 was built using orthologous protein mappings to model yeast species. Phenotypic growth assays were used to validate the GSM (66% accuracy) and indicated that NRRL Y-11557 utilized diverse carbohydrates but had more limited catabolism of organic acids. The final GSM contained 2,193 reactions, 1,909 metabolites, and 996 genes and was thus named iLst996. The model contained 96 of the annotated carbohydrate-active enzymes. iLst996 predicted a flux distribution in line with oleaginous yeast measurements and was utilized to predict theoretical lipid yields. Twenty-five other yeasts in the Lipomyces clade were then genome sequenced and annotated. Sixteen of the Lipomyces species had orthologs for more than 97% of the iLst996 genes, demonstrating the usefulness of iLst996 as a broad GSM for Lipomyces metabolism. Pathways that diverged from iLst996 mainly revolved around alternate carbon metabolism, with ortholog groups excluding NRRL Y-11557 annotated to be involved in transport, glycerolipid, and starch metabolism, among others. Overall, this study provides a useful modeling tool and data for analyzing and understanding Lipomyces species metabolism and will assist further engineering efforts in Lipomyces .

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Physical Security Model Development of an Electrochemical Facility.

Nuclear facilities in the U.S. and around the world face increasing challenges in meeting evolving physical security requirements while keeping costs reasonable. The addition of security features after a facility has been designed and without attention to optimization (the approach of the past) can easily lead to cost overruns. Instead, security should be considered at the beginning of the design process in order to provide robust, yet efficient physical security designs. The purpose of this work is to demonstrate how modeling and simulation can be used to optimize the design of physical protection systems. A suite of tools, including Scribe3D and Blender, were used to model up a generic electrochemical reprocessing facility. Physical protection elements such as sensors, portal monitors, barriers, and guard forces were added to the model based on best practices for physical security. One outsider theft scenario was examined with 4-8 adversaries to determine security metrics. This work fits into a larger Virtual Test Bed 2020 Milestone in the Material Protection, Accounting, and Control Technologies (MPACT) program through the Department of Energy (DOE). The purpose of the milestone is to demonstrate how a series of experimental and modeling capabilities across the DOE complex provide the capabilities to demonstrate complete Safeguards and Security by Design (SSBD) for nuclear facilities. ACKNOWLEDGEMENTS This work was funded by the Materials Protection, Accounting, and Control Technologies (MPACT) working group as part of the Nuclear Technology Research and Development Program under the U.S. Department of Energy, Office of Nuclear Energy.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2012

Biogeochemistry in Sea Ice: CICE model developments

Polar primary production unfolds in a dynamic sea ice environment, and the interactions of sea ice with ocean support and mediate this production. In spring, for example, fresh melt water contributes to the shoaling of the mixed layer enhancing ice edge blooms. In contrast, sea ice formation in the fall reduces light penetration to the upper ocean slowing primary production in marine waters. Polar biogeochemical modeling studies typically consider these types of ice-ocean interactions. However, sea ice itself is a biogeochemically active medium, contributing a significant and, possibly, essential source of primary production to polar regions in early spring and fall. Here we present numerical simulations using the Los Alamos Sea Ice Model (CICE) with prognostic salinity and sea ice biogeochemistry. This study investigates the relationship between sea ice multiphase physics and sea ice productivity. Of particular emphasis are the processes of gravity drainage, melt water flushing, and snow loading. During sea ice formation, desalination by gravity drainage facilitates nutrient exchange between ocean and ice maintaining ice algal blooms in early spring. Melt water flushing releases ice algae and nutrients to underlying waters limiting ice production. Finally, snow loading, particularly in the Southern Ocean, forces sea ice below the ocean surface driving an upward flow of nutrient rich water into the ice to the benefit of interior and freeboard communities. Incorporating ice microphysics in CICE has given us an important tool for assessing the importance of these processes for polar algal production at global scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Incorporating the Acclimation of Photosynthesis and Leaf Respiration in the Noah‐MP Land Surface Model: Model Development and Evaluation

Abstract Realistic simulation of leaf photosynthetic and respiratory processes is needed for accurate prediction of the global carbon cycle. These two processes systematically acclimate to long‐term environmental changes by adjusting photosynthetic and respiratory traits (e.g., the maximum photosynthetic capacity at 25°C ( V cmax,25 ) and the leaf respiration rate at 25°C ( R 25 )) following increasingly well‐understood principles. While some land surface models (LSMs) now account for thermal acclimation, they do so by assigning empirical parameterizations for individual plant functional types (PFTs). Here, we have implemented an Eco‐Evolutionary Optimality (EEO)‐based scheme to represent the universal acclimation of photosynthesis and leaf respiration to multiple environmental effects, and that therefore requires no PFT‐specific parameterizations, in a standard version of the widely used LSM, Noah MP. We evaluated model performance with plant trait data from a 5‐year experiment and extensive global field measurements, and carbon flux measurements from FLUXNET2015. We show that observed R 25 and V cmax,25 vary substantially both temporally and spatially within the same PFT ( C.V. >20%). Our EEO‐based scheme captures 62% of the temporal and 70% of the spatial variations in V cmax,25 (73% and 54% of the variations in R 25 ). The standard scheme underestimates gross primary production by 10% versus 2% for the EEO‐based scheme and generates a larger spread in r (correlation coefficient) across flux sites (0.79 ± 0.16 vs. 0.84 ± 0.1, mean ± S.D.). The standard scheme greatly overestimates canopy respiration (bias: ∼200% vs. 8% for the EEO scheme), resulting in less CO 2 uptake by terrestrial ecosystems. Our approach thus simulates climate‐carbon coupling more realistically, with fewer parameters.

Ren, Yanghang [Department of Earth System Science ↗
DOE OSTI2015

Modeling dust as component minerals in the Community Atmosphere Model: development of framework and impact on radiative forcing

The mineralogy of desert dust is important due to its effect on radiation, clouds and biogeochemical cycling of trace nutrients. This study presents the simulation of dust radiative forcing as a function of both mineral composition and size at the global scale, using mineral soil maps for estimating emissions. Externally mixed mineral aerosols in the bulk aerosol module in the Community Atmosphere Model version 4 (CAM4) and internally mixed mineral aerosols in the modal aerosol module in the Community Atmosphere Model version 5.1 (CAM5) embedded in the Community Earth System Model version 1.0.5 (CESM) are speciated into common mineral components in place of total dust. The simulations with mineralogy are compared to available observations of mineral atmospheric distribution and deposition along with observations of clear-sky radiative forcing efficiency. Based on these simulations, we estimate the all-sky direct radiative forcing at the top of the atmosphere as + 0.05 Wm −2 for both CAM4 and CAM5 simulations with mineralogy. We compare this to the radiative forcing from simulations of dust in release versions of CAM4 and CAM5 (+0.08 and +0.17 Wm −2 ) and of dust with optimized optical properties, wet scavenging and particle size distribution in CAM4 and CAM5, −0.05 and −0.17 Wm −2 , respectively. The ability to correctly include the mineralogy of dust in climate models is hindered by its spatial and temporal variability as well as insufficient global in situ observations, incomplete and uncertain source mineralogies and the uncertainties associated with data retrieved from remote sensing methods.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A novel methodology to integrate outcomes regarding perioperative pain experience into a composite score: Prediction model development and validation

Abstract Background An integrated score that globally assesses perioperative pain experience and rationally weights each component has not yet been developed. Methods A development dataset specific to adult Chinese patients undergoing orthopaedic surgery was obtained from PAIN OUT (1985 qualified patients of 2244). A more recent validation dataset obeying the same conditions was obtained from the Chinese Anaesthesia Shared‐database Platform (1004 qualified patients of 1032). Outcomes were assessed using the International Pain Outcomes Questionnaire (IPO‐Q), which comprises key patient‐level outcomes of perioperative pain management, including pain experience and perceptions of care. Using principal component analysis and regression models, a composite score (CS) was inferred to integrate pain experience. The discrimination of the CS for dissatisfaction and desire for more pain treatment was compared with that of the worst pain score. Results A CS was developed from the 12 items of the IPO‐Q regarding pain experience. The weight for calculating the CS was worst pain 11, least pain 17, time spent in severe pain 11, interference with activity in bed 9, interference with breathing deeply or coughing 10, interference with sleep 9, anxiety 12, helplessness 12, nausea 0, drowsiness 2, itch 5 and dizziness 2. In external validation, the CS indicated superior discrimination to the worst pain in predicting dissatisfaction ( p < 0.001) and desire for more pain treatment ( p < 0.001). Conclusions This study introduced a methodology to integrate outcomes regarding perioperative pain experience into a CS, which was based on the weight of each item. Significance This novel methodology sheds additional light on the riveting issue of carefully integrating several measures into a composite endpoint, which may be useful for quality improvement purposes when addressing the impact of a change in clinical practice.

Jiang, Bailin↗
DOE OSTI2015

Tensile and Fatigue Testing and Material Hardening Model Development for 508 LAS Base Metal and 316 SS Similar Metal Weld under In-air and PWR Primary Loop Water Conditions

This report provides an update on an assessment of environmentally assisted fatigue for light water reactor components under extended service conditions. This report is a deliverable in September 2015 under the work package for environmentally assisted fatigue under DOE’s Light Water Reactor Sustainability program. In an April 2015 report we presented a baseline mechanistic finite element model of a two-loop pressurized water reactor (PWR) for systemlevel heat transfer analysis and subsequent thermal-mechanical stress analysis and fatigue life estimation under reactor thermal-mechanical cycles. In the present report, we provide tensile and fatigue test data for 508 low-alloy steel (LAS) base metal, 508 LAS heat-affected zone metal in 508 LAS–316 stainless steel (SS) dissimilar metal welds, and 316 SS-316 SS similar metal welds. The test was conducted under different conditions such as in air at room temperature, in air at 300 oC, and under PWR primary loop water conditions. Data are provided on materials properties related to time-independent tensile tests and time-dependent cyclic tests, such as elastic modulus, elastic and offset strain yield limit stress, and linear and nonlinear kinematic hardening model parameters. The overall objective of this report is to provide guidance to estimate tensile/fatigue hardening parameters from test data. Also, the material models and parameters reported here can directly be used in commercially available finite element codes for fatigue and ratcheting evaluation of reactor components under in-air and PWR water conditions.

316 Stainless Steel↗
DOE OSTI2014

LIHEM Failure Model Development

Previously, a factor of safety criterion for the IHEs (LX-17 and PBX 9502) was defined using the ultimate strength of the material based on uniaxial compression and tension data at various temperatures and strain rates and an experimentally derived failure surface. The probability of failure was subsequently calculated using this factor of safety, uncertainty data, and assumptions. This year, the methodology was extended to incorporate the effect of cyclic loading into the Livermore Insensitive High Explosives Mechanical (LIHEM) model. As mentioned in the previous section, we performed cyclic experiments on three-point-bend specimens in order to find cycles-to-failure as a function of failure load at various temperatures, frequencies, and amplitudes.

42 ENGINEERING↗
DOE OSTI2012

Kinetic Model Development for Lignin Pyrolysis

Lignin pyrolysis poses a significant barrier to the formation of liquid fuel products from biomass. Lignin pyrolyzes at higher temperatures than other biomass components (e.g. cellulose and hemi-cellulose) and tends to form radicals species that lead to cross-linking and ultimately char formation. A first step in the advancement of biomass-to-fuel technology is to discover the underlying mechanisms that lead to the breakdown of lignin at lower temperatures into more stable and usable products. We have investigated the thermochemistry of the various inter-linkage units found in lignin (B-O4, a-O4, B-B, B-O5, etc) using electronic structure calculations at the M06-2x/6-311++G(d,p) on a series of dimer model compounds. In addition to bond homolysis reactions, a variety of concerted elimination pathways are under investigation that tend to produce closed-shell stable products. Such a bottom-up approach could aid in the targeted development of catalysts that produce more desirable products under less severe reactor conditions.

09 BIOMASS FUELS↗