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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 1,585 records · Page 88
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Comparison of software models for energy savings from cool roofs

For this study, a web-based Roof Savings Calculator (RSC) has been deployed for the United States Department of Energy as an industry-consensus tool to help building owners, manufacturers, distributors, contractors and researchers easily run complex roof and attic simulations. RSC simulates multiple roof and attic technologies for side-by-side comparison including reflective roofs, different roof slopes, above sheathing ventilation, radiant barriers, low-emittance roof surfaces, duct location, duct leakage rates, multiple substrate types, and insulation levels. Annual simulations of hour-by-hour, whole-building performance are used to provide estimated annual energy and cost savings from reduced HVAC use. While RSC reported similar cooling savings to other simulation engines, heating penalty varied significantly. RSC results show reduced cool roofing cost-effectiveness, thus mitigating expected economic incentives for this countermeasure to the urban heat island effect. This paper consolidates comparison of RSC's projected energy savings to other simulation engines including DOE-2.1E, AtticSim, Micropas, and EnergyPlus. Also included are comparisons to previous simulation-based studies, analysis of RSC cooling savings and heating penalties, the role of radiative heat exchange in an attic assembly, and changes made for increased accuracy of the duct model. Finally, radiant heat transfer and duct interaction not previously modeled is considered a major contributor to heating penalties.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

C3PU:Real-Time Predictive Charge Control Software for Battery Management Systems (Code for Charge Control and Predictive Unit) [SWR-21-48]

C3PU sets up a model predictive control formulation for the optimal charging control of battery packs and can be deployed for real-time operation on an embedded microprocessor. C3PU uses electrochemical and thermal models of battery packs to predict the charging trajectories of the battery pack over a time horizon under different operating conditions. It then selects the optimal charging trajectory such that a pre-defined objective is minimized, which in the present state of the code is to minimize the charging duration of the battery pack. The optimal charging trajectory is obtained by solving an underlying mathematical problem. However, C3PU is flexible to incorporate other charging objectives. The underlying battery models can be swapped as well, as long as they follow certain mathematical properties. Mathematically, optimal control problems (in this case, optimally controlling the charging current of the battery pack) are computationally expensive. C3PU implements advanced numerical techniques, namely pseudo-spectral optimization, to reduce the computational burden of the underlying problem to solve. This allows for the problem to be solved in real-time in an embedded system. Once the optimal charging trajectory is computed over a time horizon, C3PU can package such data and send it out via appropriate communication protocols.

Mishra, Partha↗
DOE OSTI2022

Earth and Space Science Informatics Perspectives on Integrated, Coordinated, Open, Networked (ICON) Science

Abstract This article is composed of three independent commentaries about the state of Integrated, Coordinated, Open, Networked (ICON) principles (Goldman, et al., 2021b, https://doi.org/10.1029/2021EO153180 ) in Earth and Space Science Informatics (ESSI) and includes discussion on the opportunities and challenges of adopting them. Each commentary focuses on a different topic: (Section 2) Global collaboration, cyberinfrastructure, and data sharing; (Section 3) Machine learning for multiscale modeling; (Section 4) Aerial and satellite remote sensing for advancing Earth system model development by integrating field and ancillary data. ESSI addresses data management practices, computation and analysis, and hardware and software infrastructure. Our role in ICON science therefore involves collaborative work to assess, design, implement, and promote practices and tools that enable effective data management, discovery, integration, and reuse for interdisciplinary work in Earth and space science disciplines. Networks of diverse people with expertise across Earth, space, and data science disciplines are essential for efficient and ethical exchanges of findable, accessible, interoperable, and reusable (FAIR) research products and practices. Our challenge is then to coordinate the development of standards, curation practices, and tools that enable integrating and reusing multiple data types, software, multi‐scale models, and machine learning approaches across disciplines in a way that is as open and/or FAIR as ethically possible. This is a major endeavor that could greatly increase the pace and potential of interdisciplinary scientific discovery.

58 GEOSCIENCES↗
DOE OSTI2012

Simulation of BF{sub 3} plasma immersion ion implantation into silicon

Plasma immersion ion implantation from a BF{sub 3} plasma into crystalline (100) silicon was performed using the PULSION plasma doping tool. Implanted boron profiles were measured with the SIMS method and simulated using models with different levels of sophistication. The physical implantation model is based on an analytical energy distribution for ions from the plasma and uses a Monte-Carlo simulation code. An analytical model of plasma immersion ion implantation that assumes a uniform and isotropic implantation was implemented in a software module called IMP3D. The functionality of this module which was initially envisaged for the three-dimensional simulation of conventional ion implantation was extended to plasma immersion ion implantation and examples of 2D and 3D simulations from this are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2014

SU-E-J-08: A Hybrid Three Dimensional Registration Framework for Image-Guided Accurate Radiotherapy System ARTS-IGRT

Purpose: The purpose of this work was to develop a registration framework and method based on the software platform of ARTS-IGRT and implement in C++ based on ITK libraries to register CT images and CBCT images. ARTS-IGRT was a part of our self-developed accurate radiation planning system ARTS. Methods: Mutual information (MI) registration treated each voxel equally. Actually, different voxels even having same intensity should be treated differently in the registration procedure. According to their importance values calculated from self-information, a similarity measure was proposed which combined the spatial importance of a voxel with MI (S-MI). For lung registration, Firstly, a global alignment method was adopted to minimize the margin error and achieve the alignment of these two images on the whole. The result obtained at the low resolution level was then interpolated to become the initial conditions for the higher resolution computation. Secondly, a new similarity measurement S-MI was established to quantify how close the two input image volumes were to each other. Finally, Demons model was applied to compute the deformable map. Results: Registration tools were tested for head-neck and lung images and the average region was 128*128*49. The rigid registration took approximately 2 min and converged 10% faster than traditional MI algorithm, the accuracy reached 1mm for head-neck images. For lung images, the improved symmetric Demons registration process was completed in an average of 5 min using a 2.4GHz dual core CPU. Conclusion: A registration framework was developed to correct patient's setup according to register the planning CT volume data and the daily reconstructed 3D CBCT data. The experiments showed that the spatial MI algorithm can be adopted for head-neck images. The improved Demons deformable registration was more suitable to lung images, and rigid alignment should be applied before deformable registration to get more accurate result. Supported by National Natural Science Foundation of China (NO.81101132) and Natural Science Foundation of Anhui Province (NO.11040606Q55)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-F-BRA-12: End-User Oriented Tools and Procedures for Testing Brachytherapy TPSs Employing MBDCAs

Purpose: To develop user-oriented tools for commissioning and dosimetry testing of {sup 192}Ir brachytherapy treatment planning systems (TPSs) employing model based dose calculation algorithms (MBDCAs). Methods: A software tool (BrachyGuide) has been developed for the automatic generation of MCNP6 input files from any CT based plan exported in DICOM RT format from Elekta and Varian TPSs. BrachyGuide also facilitates the evaluation of imported Monte Carlo (MC) and TPS dose distributions in terms of % dose differences and gamma index (CT overlaid colormaps or relative frequency plots) as well as DVHs and related indices. For users not equipped to perform MC, a set of computational models was prepared in DICOM format, accompanied by treatment plans and corresponding MCNP6 generated reference data. BrachyGuide can then be used to compare institutional and reference data as per TG186. The model set includes a water sphere with the MBDCA WG {sup 192}Ir source placed centrically and in two eccentric positions, a water sphere with cubic bone and lung inhomogeneities and a five source dwells plan, and a patient equivalent model with an Accelerated Partial Breast Irradiation (APBI) plan. Results: The tools developed were used for the dosimetry testing of the Acuros and ACE MBDCAs implemented in BrachyVision v.13 and Oncentra Brachy v.4.5, respectively. Findings were consistent with previous results in the literature. Besides points close to the source dwells, Acuros was found to agree within type A uncertainties with the reference MC results. Differences greater than MC type A uncertainty were observed for ACE at distances >5cm from the source dwells and in bone. Conclusion: The tools developed are efficient for brachytherapy MBDCA planning commissioning and testing. Since they are appropriate for distribution over the web, they will be put at the AAPM WG MBDCA’s disposal. Research co-financed by the ESF and Greek funds. NSRF operational Program: Education and Lifelong Learning Investing in Knowledge Society-Aristeia. Varian Medical Systems and Nucletron, an Elekta company provided access to TPSs for research purposes. Miss Peppa was supported by IKY-fellowships of excellence for postgraduate studies in Greece,Siemens Program.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Fourier-Bessel Particle-In-Cell (FBPIC) v0.1.0

The Fourier-Bessel Particle-In-Cell code is a scientific simulation software for relativistic plasma physics. It is a Particle-In-Cell code whose distinctive feature is to use a spectral decomposition in cylindrical geometry. This decomposition allows to combine the advantages of spectral 3D Cartesian PIC codes (high accuracy and stability) and those of finite-difference cylindrical PIC codes with azimuthal decomposition (orders-of-magnitude speedup when compared to 3D simulations). The code is built on Python and can run both on CPU and GPU (the GPU runs being typically 1 or 2 orders of magnitude faster than the corresponding CPU runs.) The code has the exact same output format as the open-source PIC codes Warp and PIConGPU (openPMD format: openpmd.org) and has a very similar input format as Warp (Python script with many similarities). There is therefore tight interoperability between Warp and FBPIC, and this interoperability will increase even more in the future.

Lehe, Remi↗
DOE OSTI2021

SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 2 (Lowest Temperature Extracted Protein Coordinate Trajectories)

Protein-only trajectories of the lowest-temperature window (310K) extracted from temperature replica-exchange molecular dynamics simulations of 23 different SARS CoV-2 systems, including S Protein ACE2-receptor binding-domain, MPro, PLPro, NSP3 ADRP (X-domain/macrodomain/phosphatase), NSP15 (endoribonuclease), NSP9, NSP10, NSP16, and N-protein N-terminus. Systems were prepared with charmm-gui and simulated using the GROMACS simulation software suite. Trajectories are provided in compressed dcd format with accompanying coordinate/topology files in pdb and psf formats. This data supplements the data release, DOI: 10.13139/OLCF/1650650 ('SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 1 (Simulation Initial Conditions and Parameters)')

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 3 (Raw Temperature Replica Exchange Molecular Dynamics Trajectories)

Raw temperature replica-exchange molecular dyanmics trajectories of 23 different SARS CoV-2 Systems including S Protein ACE2-receptor binding-domain, MPro, PLPro, NSP3 ADRP (X-domain/macrodomain/phosphatase), NSP15 (endoribonuclease), NSP9, NSP10, NSP16, and N-protein N-terminus. Systems were prepared with charmm-gui and simulated using the GROMACS simulation software suite. Non-demuxed, i.e. discontinuous/constant temperature window, trajectories are provided in compressed GROMACS xtc and full trr formats. This data supplements the data releases DOI: 10.13139/OLCF/160650 'SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 1 (Simulation Initial Conditions and Parameters)' and DOI: 10.13139/OLCF/1657844 'SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 2 (Extracted Protein Coordinate Trajectories)'

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Linear sine wave profiling to machine instability targets

Specialized machining processes and programming have been developed to deliver thin tin and copper Richtmyer-Meshkov instability targets that have different amplitude perturbations across the face of one 4-in.-diameter target. Typical targets have anywhere from two to five different regions of sine waves that have different amplitudes varying from 4 to 200 μm across the face of the target. The puck is composed of multiple rings that are zero press fit together and diamond turned to create a flat platform with a tolerance of 2 μm for the shock experiment. A custom software program was written in Labview to write the point-to-point program for the diamond-turning profiler through the X-Y-Z movements to cut the pure planar straight sine wave geometry. As a result, the software is optimized to push the profile of the whole part into the face while eliminating any unneeded passes that do not cut any material.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Analysis of the performance of different culvert boundary conditions in 2D shallow flow models

Culverts allow roads to safely traverse small streams or drainage ditches, and their proper design is critical to ensure a safe and reliable transportation network. A correct modelization of these hydraulic structures becomes crucial in the assessment of flood footprints or discharge peak estimation in a risk evaluation plan. The question of how to include culverts comes up frequently when assembling a hydraulic model that requires the presence of as many singular elements as possible. In this work, three different culvert integrations with the surface domain are studied and compared in the context of a 2D shallow water (SW) model. All of them are based on the Federal Highway Administration (FHWA) formulation for the culvert discharge estimation but differ in complexity and in the interaction with the numerical model for surface flow, some of them as internal boundary conditions. Several steady and unsteady validation test cases are presented and the numerical results are compared with the predictions from HEC-RAS 1D and HY-8 software. Furthermore, the culvert area, shape and their sensitivity to the 2D computational mesh is also analyzed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

An Extended Study on the Uncertainty Quantification of a Photodiode's Spectral Responsivity

An extended study was done on the analysis procedure for spectral responsivity of a silicon detector from the range of 200 nm to 1100 nm for the Optical Component Calibration laboratory at Livermore Operations in Livermore California. As a result, the uncertainty of the procedure was quantified to account for variables that contribute to uncertainty; such as the reproducibility and repeatability of the working standards, quantifying Type A and B uncertainties, validating laboratory equipment and associated software, and looking at environmental variables. The findings lead to a revised analysis reporting procedure that reports uncertainties depending on three spectral ranges, 300 nm to 400 nm, 400 nm to 700 nm, and 700 nm to 1100 nm. A proficiency test was done to compare the difference between both methods and a noticeable difference was found. The results showed that the previous reporting method over estimated uncertainty as much as 3.5% for the 300 nm to 400 nm range, 4% in the >400 nm to 700 nm range, and 2% in the >700 nm to 1100 nm range. The findings lead to the use of the revised procedure when producing calibration certificates, better quantified measurement uncertainties, and will be used for the process of updating the scope of accreditation from the National Voluntary Laboratory Accreditation Program.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Verification and validation testing and tools: comparison between MCNP code versions and nuclear data libraries [Slides]

This presentation discusses the primary goal of software testing which is to test the code for correctness. It also discusses the results for individual suites and the role of validation and verification also referred to in the presentation as V&V. In summation, the V&V framework enables easy comparison between calculations performed with different code versions and/or nuclear data libraries. This entire framework will be distributed with the upcoming MCNP6.3 release. V&V test suites shown and several that were not (Criticality, LAQGSM, Lockwood) will be distributed in the new framework.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

An Update on Microreactor Automated Control System (MACS)

Automation of control systems is expected to be important in the economic and safe operation of microreactors. There is a need to develop and demonstrate automated control for microreactors, along with the development of testbeds for this purpose. This report provides updates on the status of a microreactor automated control system (MACS) testbed developed to test control system automation. While a future goal is to demonstrate this system using a prototypic microreactor such as MARVEL, the present focus is on developing and testing within a non-nuclear testbed. The testbed, developed in collaboration with Idaho National Laboratory, includes hardware-in-the-loop simulation and uses a Modelica-based model of a prototypic microreactor for use in testing control automation. Research to date at Oak Ridge National Laboratory has focused on the development of prototypic software for automating plant-level control under selected scenarios. Empirical testing on the integrated MACS testbed was performed to quantify key characteristics of the integrated testbed and to demonstrate the use of the software for automating the calculation and use of actuation setpoints for selected load-following scenarios. Ongoing research is focused on integrating additional control algorithms that utilize data from newly included sensors within the MACS hardware testbed, as well as demonstrating and assessing the performance of the different automated control algorithms on multiple additional operational scenarios.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

From Modular ADMS to Plug-and-Play Ops: Distribution Grid Operations with Platform-Level Orchestration to Enable Ambitious App Hosting

The core function of the distribution grid is to provide electricity to consumers affordably, reliably, and securely. In pursuing these core objectives, distribution utilities are accountable to customers, regulators, and in some cases, shareholders. Other third parties such as aggregators and microgrids can also have a stake in the smooth operation of the grid. Each of these stakeholders has economic, business, and/or governance objectives that inform their expectations of the distribution grid. This multi-objective, multi-stakeholder environment creates tension that must be reconciled to successfully design and operate the distribution grid. Innovative companies are competing to bring high-tech solutions to electric utilities and their customers that address each of these objectives. Many developers of advanced distribution management systems (ADMS) and distributed energy resource management systems (DERMS) have adopted a modular architecture that allows grid operators to select functions and features according to their individual system needs. A modular platform also allows the solution provider to develop and integrate specific new product modules; however, the need to pursue multiple objectives with a fixed set of controllable devices makes integration expensive whether it is done at the product development stage or the deployment stage. This cost creates a significant barrier to adoption and can lengthen the product to market time of new solutions. To fundamentally address the complexity of system integration for distribution grid operations, the U.S. Department of Energy Office of Electricity has funded the GridAPPS-D project at PNNL, which streamlines integration by contributing to standards development, defining system architecture, applying advanced mathematics, and developing open-source software to demonstrate the concept of an open data-integration platform for distribution operations. The open data-integration platform concept enables system operators and solution providers to deploy ambitious, best-of-breed applications (or apps) without continually reengineering for integration. Ambitious apps developed by different solution providers will inevitably attempt to achieve different control objectives with the same set of controllable devices. If the open platform itself can resolve these conflicts in a way that achieves the best available outcomes for all apps, doesn’t restrict the ambitious design of apps, and ensures safe and secure operations, apps will be able to plug-and-play with the platform at the same time as other ambitious apps. In this paper, we describe a framework called App Deconfliction that empowers a platform to assign setpoints to controllable devices based on the values preferred by different apps (and even external stakeholder entities like customers or aggregators). The App Deconfliction framework is compatible with several methods for determining setpoint values. We present two methods based on game theory that provide a subtle built-in incentive structure for developers to adapt their apps to the fact that they will be operating in a moderated multi-app environment and to favor device setpoints that have the most effect on their objectives over those that have the least effect. Our simulation-based demonstrations have shown that game-theory-based deconfliction can lead to a 7% improvement in control space utilization compared to design-based methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

Consistent evaluation of GOSAT, SCIAMACHY, carbontracker, and MACC through comparisons to TCCON

Consistent validation of satellite CO 2 estimates is a prerequisite for using multiple satellite CO 2 measurements for joint flux inversion, and for establishing an accurate long-term atmospheric CO 2 data record. We focus on validating model and satellite observation attributes that impact flux estimates and CO 2 assimilation, including accurate error estimates, correlated and random errors, overall biases, biases by season and latitude, the impact of coincidence criteria, validation of seasonal cycle phase and amplitude, yearly growth, and daily variability. We evaluate dry air mole fraction (X CO 2 ) for GOSAT (ACOS b3.5) and SCIAMACHY (BESD v2.00.08) as well as the CarbonTracker (CT2013b) simulated CO 2 mole fraction fields and the MACC CO 2 inversion system (v13.1) and compare these to TCCON observations (GGG2014). We find standard deviations of 0.9 ppm, 0.9, 1.7, and 2.1 ppm versus TCCON for CT2013b, MACC, GOSAT, and SCIAMACHY, respectively, with the single target errors 1.9 and 0.9 times the predicted errors for GOSAT and SCIAMACHY, respectively. When satellite data are averaged and interpreted according to error 2 = a 2 + b 2 / n (where n are the number of observations averaged, a are the systematic (correlated) errors, and b are the random (uncorrelated) errors), we find that the correlated error term a = 0.6 ppm and the uncorrelated error term b = 1.7 ppm for GOSAT and a = 1.0 ppm, b = 1.4 ppm for SCIAMACHY regional averages. Biases at individual stations have year-to-year variability of ~ 0.3 ppm, with biases larger than the TCCON predicted bias uncertainty of 0.4 ppm at many stations. Using fitting software, we find that GOSAT underpredicts the seasonal cycle amplitude in the Northern Hemisphere (NH) between 46–53° N. In the Southern Hemisphere (SH), CT2013b underestimates the seasonal cycle amplitude. Biases are calculated for 3-month intervals and indicate the months that contribute to the observed amplitude differences. The seasonal cycle phase indicates whether a dataset or model lags another dataset in time. We calculate this at a subset of stations where there is adequate satellite data, and find that the GOSAT retrieved phase improves substantially over the prior and the SCIAMACHY retrieved phase improves substantially for 2 of 7 sites. The models reproduce the measured seasonal cycle phase well except for at Lauder125 (CT2013b), Darwin (MACC), and Izana (+ 10 days, CT2013b), as for Bremen and Four Corners, which are highly influenced by local effects. We compare the variability within one day between TCCON and models in JJA; there is correlation between 0.2 and 0.8 in the NH, with models showing 10–100 % the variability of TCCON at different stations (except Bremen and Four Corners which have no variability compared to TCCON) and CT2013b showing more variability than MACC. This paper highlights findings that provide inputs to estimate flux errors in model assimilations, and places where models and satellites need further investigation, e.g. the SH for models and 45–67° N for GOSAT

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Towards Cache-Enabled, Order-Aware, Ontology-Based Stream Reasoning Framework

While streaming data have become increasingly more popular in business and research communities, semantic models and processing software for streaming data have not kept pace. Traditional semantic solutions have not addressed transient data streams. Semantic web languages (e.g., RDF, OWL) have typically addressed static data settings and linked data approaches have predominantly addressed static or growing data repositories. Streaming data settings have some fundamental differences; in particular, data are consumed on the fly and data may expire. Stream reasoning, a combination of stream processing and semantic reasoning, has emerged with the vision of providing "smart" processing of streaming data. C-SPARQL is a prominent stream reasoning system that handles semantic (RDF) data streams. Many stream reasoning systems including C-SPARQL use a sliding window and use data arrival time to evict data. For data streams that include expiration times, a simple arrival time scheme is inadequate if the window size does not match the expiration period. In this paper, we propose a cache-enabled, order-aware, ontology-based stream reasoning framework. This framework consumes RDF streams with expiration timestamps assigned by the streaming source. Our framework utilizes both arrival and expiration timestamps in its cache eviction policies. In addition, we introduce the notion of "semantic importance" which aims to address the relevance of data to the expected reasoning, thus enabling the eviction algorithms to be more context- and reasoning-aware when choosing what data to maintain for question answering. We evaluate this framework by implementing three different prototypes and utilizing five metrics. The trade-offs of deploying the proposed framework are also discussed.

Data Discovery↗
DOE OSTI2013

A 2D/1D coupling neutron transport method based on the matrix MOC and NEM methods

A new 2D/1D coupling method based on the matrix MOC method (MMOC) and nodal expansion method (NEM) is proposed for solving the three-dimensional heterogeneous neutron transport problem. The MMOC method, used for radial two-dimensional calculation, constructs a response matrix between source and flux with only one sweep and then solves the linear system by using the restarted GMRES algorithm instead of the traditional trajectory sweeping process during within-group iteration for angular flux update. Long characteristics are generated by using the customization of commercial software AutoCAD. A one-dimensional diffusion calculation is carried out in the axial direction by employing the NEM method. The 2D and ID solutions are coupled through the transverse leakage items. The 3D CMFD method is used to ensure the global neutron balance and adjust the different convergence properties of the radial and axial solvers. A computational code is developed based on these theories. Two benchmarks are calculated to verify the coupling method and the code. It is observed that the corresponding numerical results agree well with references, which indicates that the new method is capable of solving the 3D heterogeneous neutron transport problem directly. (authors)

97 MATHEMATICS AND COMPUTING↗