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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Solar Models in Light of New High Metallicity Measurements from Solar Wind Data

We study the impact of new metallicity measurements, from solar wind data, on the solar model. The “solar modeling problem” refers to the persisting discrepancy between helioseismological observations and predictions of solar models computed implementing state-of-the-art photospheric abundances. We critically reassess the problem, in particular considering the new set of abundances of von Steiger and Zurbuchen, determined through the in situ collection of solar wind samples from polar coronal holes. This new set of abundances indicates a solar metallicity Z{sub ⊙}⩾0.0196±0.0014, significantly higher than the currently established value. The new values hint at an abundance of volatile elements (i.e., C, N, O, Ne) close to previous results of Grevesse and Sauval, whereas the abundance of refractory elements (i.e., Mg, Si, S, Fe) is considerably increased. Using the Linear Solar Model formalism, we determine the variation of helioseismological observables in response to the changes in elemental abundances, in order to explore the consistency of these new measurements with constraints from helioseismology. We find that for observables that are particularly sensitive to the abundance of volatile elements, in particular the radius of the convective zone boundary (CZB) and the sound speed around the radius of CZB, improved agreement over previous models is obtained. Conversely, the high abundance of refractories correlates with a higher core temperature, resulting in an overproduction of neutrinos and a huge increase in the surface helium abundance. We conclude that the “solar modeling problem” remains unsolved.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Verification of the Skorohod-Olevsky Viscous Sintering (SOVS) Model

Sintering refers to a manufacturing process through which mechanically pressed bodies of ceramic (and sometimes metal) powders are heated to drive densification thereby removing the inherit porosity of green bodies. As the body densifies through the sintering process, the ensuing material flow leads to macroscopic deformations of the specimen and as such the final configuration differs form the initial. Therefore, as with any manufacturing step, there is substantial interest in understanding and being able to model the sintering process to predict deformation and residual stress. Efforts in this regard have been pursued for face seals, gear wheels, and consumer products like wash-basins. To understand the sintering process, a variety of modeling approaches have been pursued at different scales.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Quantification of flexoelectricity in PbTiO 3 /SrTiO 3 superlattice polar vortices using machine learning and phase-field modeling

Flexoelectricity refers to electric polarization generated by heterogeneous mechanical strains, namely strain gradients, in materials of arbitrary crystal symmetries. Despite more than 50 years of work on this effect, an accurate identification of its coupling strength remains an experimental challenge for most materials, which impedes its wide recognition. Here, we show the presence of flexoelectricity in the recently discovered polar vortices in PbTiO 3 /SrTiO 3 superlattices based on a combination of machine-learning analysis of the atomic-scale electron microscopy imaging data and phenomenological phase-field modeling. By scrutinizing the influence of flexocoupling on the global vortex structure, we match theory and experiment using computer vision methodologies to determine the flexoelectric coefficients for PbTiO 3 and SrTiO 3 . Here, our findings highlight the inherent, nontrivial role of flexoelectricity in the generation of emergent complex polarization morphologies and demonstrate a viable approach to delineating this effect, conducive to the deeper exploration of both topics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Hydrogen Risk Assessment Models (HyRAM) (V.3.1) (Technical Reference Manual)

The HyRAM software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen infrastructure and transportation systems. HyRAM is designed to facilitate the use of state-of-the-art science and engineering models to conduct robust, repeatable assessments of hydrogen safety, hazards, and risk. HyRAM includes generic probabilities for hydrogen equipment failures, probabilistic models for the impact of heat flux on humans and structures, and experimentally validated first-order models of hydrogen release and flame physics. HyRAM integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing hydrogen hazards (thermal effects from jet res, overpressure effects from deflagrations), and assessing impact on people and structures. HyRAM is developed at Sandia National Laboratories for the U.S. Department of Energy to increase access to technical data about hydrogen safety and to enable the use of that data to support development and revision of national and international codes and standards. HyRAM is a research software in active development and thus the models and data may change. This report will be updated at appropriate developmental intervals. This document provides a description of the methodology and models contained in HyRAM version 3.1. There have been several impactful updates since version 3.0. HyRAM 3.1 contains a correction to use the volume fraction for two-phase speed of sound calculations; this only affects cryogenic releases in which two-phase ow (vapor and liquid) is predicted in the orifice. Other changes include clarifications that inputs for tank pressure should be given in absolute pressure, not gauge pressure. Additionally, the interface now rejects invalid inputs to probability distributions, and the less accurate single-point radiative source model selection was removed from the interface.

08 HYDROGEN↗
DOE OSTI2012

A new time-dependent analytic model for radiation-induced photocurrent in finite 1D epitaxial diodes

Photocurrent generated by ionizing radiation represents a threat to microelectronics in radiation environments. Circuit simulation tools such as SPICE can be used to analyze these threats, and typically rely on compact models for individual electrical components such as transistors and diodes. Compact models consist of a handful of differential and/or algebraic equations, and are derived by making simplifying assumptions to any of the many semiconductor transport equations. Historically, many photocurrent compact models have suffered from accuracy issues due to the use of qualitative approximation, rather than mathematically correct solutions to the ambipolar diffusion equation. A practical consequence of this inaccuracy is that a given model calibration is trustworthy over only a narrow range of operating conditions. This report describes work to produce improved compact models for photocurrent. Specifically, an analytic model is developed for epitaxial diode structures that have a highly doped subcollector. The analytic model is compared with both numerical TCAD calculations, as well as the compact model described in reference. The new analytic model compares well against TCAD over a wide range of operating conditions, and is shown to be superior to the compact model from reference.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2015

SU-E-J-93: Development of Pre-Contoured Human Model Library in DICOM-RT Format for the Epidemiological Study of the Radiotherapy Patients

Purpose: Prior to 3D conformal radiation therapy planning, patient anatomy information was mostly limited to 2D beams-eye-view from the conventional simulator. To analyze the outcomes of such treatments for radiation late effects, 3D computational human models are often used in commercial treatment planning systems (TPSs). However, several underlying difficulties such as time-consuming manual delineation procedures of a large number of structures in the model have always limited its applications. Primary objective of this work was to develop a human model library for the epidemiological study by converting 3D-surface model organs to DICOM-RT format (DICOM-RT structure) using an in-house built software. We converted the ICRP reference human models to DICOM-RT models, which can be readily adopted for various dose calculations. Methods: MATLAB based code were utilized to convert the contour drawings extracted in text-format from the 3D graphic-tool, Rhinoceros into DICOM-RT structure format for 50 different organs of each model using a 16GB dual-core processor. The conversion periods were measured for each DICOM-RT models, and the reconstructed structure volumes were validated against the original 3D-surface models in the TPS. Ten reference hybrid whole-body models (8-pediatric and 2-adults) were automatically processed to create DICOM-RT computational human model library. Results: Mean contour conversion period was found to be 580 (N=2) and 394.5 (N=8) seconds for 50 organs in the adult and pediatric models respectively. A good agreement for large organs (NRMSD <1.0%) and small organs (NRMSD <7.7%) was also observed between the original volumes and corresponding DICOM-RT structure volumes of the organs. Conclusion: The ICRP reference human models were converted into DICOM-RT format to support the epidemiological study using a large cohort of conventional radiotherapy patients. Due to its DICOM-compatibility, the library may be implemented to many other different applications. We also expect to develop the library by including additional models in future.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

PV DMFA [SWR-21-105]

The Photovoltaic Dynamic Material Flow Assessment (PV DMFA) model (also referred to here as “The model”) is a computational framework written in Python based on utility-scale PV electricity generation to quantify time-series stocks and flows of PV materials primarily in crystalline silicon PV technologies. The model evaluates cradle-to-cradle life cycle of utility-scale solar PV systems in the United States in the period 2000-2100. PV DMFA serves as a sustainability analysis tool to assess the impacts of different material circularity practices (i.e., reduce, reuse/refurbish, remanufacture, and recycle), PV module design shifts and sensitivity of material processing and technology related parameters to material installations, waste creation and raw material depletion in PV material supply chains. This tool enables advanced planning for future material needs and informs sustainable pathways for PV material management in the circular economy. This tool could be helpful to a wide range of stakeholders; Particularly, researchers and manufacturers looking for technoeconomic and/or environmental life cycle analysis (LCA) feedback for renewable energy (RE) systems.

Khalifa, SherifA.↗
DOE OSTI2022

LLNL 5-2428: Fracture Permeability and Seismic Slip Behavior

Our goal is to develop, apply and validate a holistic thermal, hydrologic, mechanical, and chemical (THMC) workflow that also includes evaluation of induced seismic slip in EGS reservoirs. We will integrate experimental and modelling approaches to reduce parameteruncertainty and better predict and mitigate seismic hazard at Utah FORGE and future EGS sites.We propose a novel approach that incorporates 3D physics-based Earthquake simulations in THMC models, herein referred to as “THMC+E” models. This capability will enable improvedengineering decisions at Utah FORGE and move EGS operations toward repeatable, robust, economically viable, and socially accepted development. Utah FORGE management and future EGS operators may employ results of THMC+E models for decision making purposes throughout the lifetime of the field operation. For example, before production well installation, our THMC+E models will predict circulation scenarios and related seismic hazard for a suite ofpossible well locations and flow rates, thus enabling evaluation of optimal production well placement. Such efforts will be conducted throughout the lifetime of the project, whereby additional laboratory experiments will constrain key model parameters and machine learning (ML) will reduce the size of the parameter space and the associated uncertainty. THMC+E simulations will enable exploration various circumstances that may hinder EGS success and develop mitigation strategies.

58 GEOSCIENCES↗
DOE OSTI2018

A Cascaded Multi-Rate Model Predictive Control and Reference Governor Approach for Real-Time Velocity Optimization in the Presence of Traffic

This paper presents a novel approach for ecological driving with distance keeping, where a long-horizon model predictive control (MPC) strategy for fuel consumption minimization is cascaded with a short-horizon reference governor for maintaining safe following distance. The control strategy developed in this work has been validated using a medium-fidelity proprietary Volvo model of a heavy-duty truck for three representative trucking routes. Results indicate the control strategy developed in this paper produces fuel savings of 5.11% - 6.17% when compared to the baseline.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2019

Updated Groundwater Flow Simulations of the Savannah River Site General Separations Area

The groundwater flow model supporting Performance Assessments (PAs) and Composite Analyses (CAs) at the Savannah River Site was significantly revised in 2016 and 2017 using new hydrostratigraphic surfaces, updated well water level calibration targets, and semi-automated model calibration with the PEST optimization code. This model is referred to as “GSA_2016”. This report documents further refinement of the GSA_2016 model in 2018 to incorporate updates to model calibration targets, closure of the H-Area Ash Basin, construction of E-Area Slit Trench operational covers, and plume information from the Mixed Waste Management Facility and Low-Level Radioactive Waste Disposal Facility. Another objective was to lower hydraulic head residuals by adding another calibration zone. The resulting model is referred to as “GSA_2018”.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

SU-E-T-284: Revisiting Reference Dosimetry for the Model S700 Axxent 50 KV{sub p} Electronic Brachytherapy Source

Purpose: The model S700 Axxent electronic brachytherapy source by Xoft was characterized in 2006 by Rivard et al. The source design was modified in 2006 to include a plastic centering insert at the source tip to more accurately position the anode. The objectives of the current study were to establish an accurate Monte Carlo source model for simulation purposes, to dosimetrically characterize the new source and obtain its TG-43 brachytherapy dosimetry parameters, and to determine dose differences between the source with and without the centering insert. Methods: Design information from dissected sources and vendor-supplied CAD drawings were used to devise the source model for radiation transport simulations of dose distributions in a water phantom. Collision kerma was estimated as a function of radial distance, r, and polar angle, θ, for determination of reference TG-43 dosimetry parameters. Simulations were run for 10{sup 10} histories, resulting in statistical uncertainties on the transverse plane of 0.03% at r=1 cm and 0.08% at r=10 cm. Results: The dose rate distribution the transverse plane did not change beyond 2% between the 2006 model and the current study. While differences exceeding 15% were observed near the source distal tip, these diminished to within 2% for r>1.5 cm. Differences exceeding a factor of two were observed near θ=150° and in contact with the source, but diminished to within 20% at r=10 cm. Conclusions: Changes in source design influenced the overall dose rate and distribution by more than 2% over a third of the available solid angle external from the source. For clinical applications using balloons or applicators with tissue located within 5 cm from the source, dose differences exceeding 2% were observed only for θ>110°. This study carefully examined the current source geometry and presents a modern reference TG-43 dosimetry dataset for the model S700 source.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Modeling the potential of screen printed front junction CZ silicon solar cell with tunnel oxide passivated back contact

Carrier selective passivated contacts composed of thin oxide, n + polycrystalline Si and metal on top of a n-Si absorber can significantly lower the recombination current density (J orear ≤8 fA/cm 2 ) under the contact while providing excellent specific contact resistance (5–10 mΩ-cm 2 ); 25.1% efficient small area cells with photolithography front contacts on boron doped selective emitter and Fz wafers have been achieved by Fraunhofer ISE using their tunnel oxide passivated contact (TOPCon) approach. This paper shows a methodology to model such passivated contact cells using Sentaurus device model, which involves replacing the TOPCon region by carrier selective electron and hole recombination velocities to match the measured J orear of the TOPCon region as well as all the light IV values of the cell. We first validated the methodology by modeling a 24.9% reference cell. The model was then extended to assess the efficiency potential of large area TOPCon cells on commercial grade n-type Cz material with screen-printed front contacts. To use realistic input parameters, a 21% n-type PERT cell was fabricated on Cz wafer (5 Ω-cm, 1.5-ms lifetime). Modeling showed that the cell efficiency will improve to only 21.6% if the back of this cell is replaced by the above TOPCon, and the performance is limited by the homogenous emitter. Efficiency was then modeled to improve to 22.6% with the implementation of selective emitter (150/20 Ω/sq). Lastly, it is shown that screen printing of 40-µm-wide lines and improved bulk material (10 Ω-cm, 3-ms lifetime) can raise the single side TOPCon Cz cell efficiency to 23.2%.

14 SOLAR ENERGY↗
DOE OSTI2020

Development of new baseline models for U.S. medium office buildings based on commercial buildings energy consumption survey data

Building energy estimation for the building sector under various scenarios are needed for building energy regulation and policy making. This often starts with representative baselines (either empirical baseline or modeled baseline). Commercial Buildings Energy Consumption Survey (CBECS) data is a widely used empirical baseline for U.S. commercial buildings, but none of the existing baseline model are developed to represent the CBECS data. This paper aims to develop new baseline models for the U.S. medium office buildings, which can produce modeled baselines consistent with the CBECS data. Here, we introduced the methodology to create baseline models and the criteria to evaluate the performance of baseline models. The methodology consists of three phases: (1) identification of model inputs, (2) model calibration, and (3) model validation with uncertainty analysis. The evaluation index is the coefficient of variation of the root-mean-square deviation (CV(RMSD)) of site energy use intensities (EUIs) between the modeled baseline and empirical baseline. Then 30 new baseline models for two vintages (pre- and post-1980) and 15 climate zones were created. The evaluation shows that the CV(RMSD) is lower than 0.05 for the modeled baselines produced by the new baseline models. As a comparison, the CV(RMSD) is higher than 0.1 for the existing modeled baselines generated by DOE Commercial Reference Building Models. Further analysis shows that the new baseline models are able to capture the uncertainties of the representative features of existing buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2013

RANS Simulation VBM of Single Full Scale DOE RM1 MHK Turbine

Attached are the .cas and .dat files along with the required User Defined Functions (UDFs) and look-up table of lift and drag coefficients for Reynolds Averaged Navier-Stokes (RANS) simulation of a single full scale DOE RM1 turbine implemented in ANSYS FLUENT CFD-package. In this case study the flow field around and in the wake of the full scale DOE RM1 turbine is simulated using Blade Element Model (a.k.a Virtual Blade Model [VBM]) by solving RANS equations coupled with k-\omega turbulence closure model. It should be highlighted that in this simulation the actual geometry of the rotor blade is not modeled. The effect of turbine rotating blades are modeled using the Blade Element Theory. This simulation provides an accurate estimate for the performance of device and structure of it's turbulent far wake. Due to the simplifications implemented for modeling the rotating blades in this model, VBM is limited to capture details of the flow field in near wake region of the device.

16 TIDAL AND WAVE POWER↗
DOE OSTI2014

RANS Simulation VBM of Single Lab Scaled DOE RM1 MHK Turbine

Attached are the .cas and .dat files for the Reynolds Averaged Navier-Stokes (RANS) simulation of a single lab-scaled DOE RM1 turbine implemented in ANSYS FLUENT CFD-package. The lab-scaled DOE RM1 is a re-design geometry, based of the full scale DOE RM1 design, producing same power output as the full scale model, while operating at matched Tip Speed Ratio values at reachable laboratory Reynolds number (see attached paper). In this case study the flow field around and in the wake of the lab-scaled DOE RM1 turbine is simulated using Blade Element Model (a.k.a Virtual Blade Model [VBM]) by solving RANS equations coupled with k-\omega turbulence closure model. It should be highlighted that in this simulation the actual geometry of the rotor blade is not modeled. The effect of turbine rotating blades are modeled using the Blade Element Theory. This simulation provides an accurate estimate for the performance of device and structure of it's turbulent far wake. Due to the simplifications implemented for modeling the rotating blades in this model, VBM is limited to capture details of the flow field in near wake region of the device. The required User Defined Functions (UDFs) and look-up table of lift and drag coefficients are included along with the .cas and .dat files.

16 TIDAL AND WAVE POWER↗
DOE OSTI2013

Modeling X-Ray Thomson Scattering Spectra of Warm Dense Matter

Warm dense matter (WDM) is sometimes described as a \solid density plasma" where neither weakly coupled plasma theory nor condensed matter theory are applicable. More specifically, WDM has densities of ~ 0:1 - 50 times solid density, temperatures of ~ 1 - 100 eV, is partially ionized, globally neutral, has strongly correlated particles (due to interactions), and partial electron degeneracy. In nature, WDM may be found in the interiors of planets such as Jupiter or in the envelopes of white dwarf stars, and in man-made processes such as inertial confinement fusion (ICF), WDM exists as a transient state of matter. To model these physical systems, the equation of state as well as opacity, conductivity, and diffusion coefficients must be known. Experimentally WDM is probed with an experimental technique known as X-Ray Thomson Scattering (XRTS). In such an experiment X-rays photons are scattered off of WDM and the resulting photons are measured at a given solid angle. The resulting spectrum gives information on the density and temperature of WDM, but a model of WDM and the scattering experiment is often required to interpret the results. As a result, these experiments also serve as a method of validation for potential models of WDM. The work presented here focuses on the model of WDM proposed by Starrett and Saumon and a model for scattering based off of Chihara’s work. The model proposed by Starrett and Saumon is an average-atom model that is coupled with a two component plasma model, hereafter referred to as an AA+TCP model. The AA+TCP model is an ab initio model with no free parameters, only requiring knowledge of the element under investigation, the density, and the temperature. The outputs from the model completely determine all the input parameters needed for Chihara’s structure function (chemical potential, elastic feature, screening potential, bound-state wavefunctions, and free wavefunctions), which in turn determines the double differential scattering cross-section of the experiment. This approach to determining the outcome of an XRTS experiment parallels that of Johnson, et al., but expands the work in many respects. For example, the AA+TCP model completely determines all the input parameters to the structure function; hence no ad hoc approximations are necessary to close the system. Also, the free-electron feature and the bound-free feature are modified to include collisions and occupation of free electron states, respectively.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Initial High Temperature Inelastic Constitutive Model for Alloy 617

This report describes progress on a Alloy 617 inelastic constitutive model slated for inclusion in the ASME Boiler & Pressure Vessel Code in Code Case N-898 “Use of Alloy 617 (UNS N06617) for Class A Elevated Temperature Construction, Section III, Division 5” as part of an appendix on inelastic modeling. This appendix will provide a reference material model for A617 for use in conjunction with the ASME design by inelastic analysis criteria. This report focuses on the implementation and evaluation of an existing Alloy 617 model developed to represent the data collected at Idaho National Laboratory (INL) and Oak Ridge National Laboratory (ORNL) as part of the Alloy 617 Code Case experimental campaign. While the model accurately captures the cyclic stress/strain behavior of Alloy 617, it fails to capture the long-term creep and lower temperature tensile data. In addition, the model form is complicated and has over 50 configurable parameters. As such, we recommend the development of a simplified model, incorporating key features of the ORNL model but reducing the model complexity.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Advanced Modeling Fast Simulation Algorithms for Alternate Arm Converters

There is increasing interest in alternate arm converter (AAC) due to the fault-tolerant characteristics it could offer in high-voltage direct current (HVdc) systems. The simulation of AACs is important to assist with the design of hardware, control systems, and planning of power system expansions. However, simulation of AAC-HVdc using existing software takes a long time due to the presence of a large number of states and non-linear devices. An ultra-fast single-or multi-CPU simulation algorithm to simulate the AAC-HVdc system based on state-space models and using hybrid discretization algorithm with a relaxation technique that reduces the imposed computational burden is presented in this paper. The developed algorithm is validated with respect to reference PSCAD/EMTDC model.

Debnath, Suman↗