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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 595 records · Page 33

GNET2: an R package for constructing gene regulatory networks from transcriptomic data

Abstract Motivation The Gene Network Estimation Tool (GNET) is designed to build gene regulatory networks (GRNs) from transcriptomic gene expression data with a probabilistic graphical model. The data preprocessing, model construction and visualization modules of the original GNET software were developed on different programming platforms, which were inconvenient for users to deploy and use. Results Here, we present GNET2, an improved implementation of GNET as an integrated R package. GNET2 provides more flexibility for parameter initialization and regulatory module construction based on the core iterative modeling process of the original algorithm. The data exchange interface of GNET2 is handled within an R session automatically. Given the growing demand for regulatory network reconstruction from transcriptomic data, GNET2 offers a convenient option for GRN inference on large datasets. Availability and implementation The source code of GNET2 is available at https://github.com/jianlin-cheng/GNET2. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

Automatic mathematical modeling for space application

A methodology for automatic mathematical modeling is described. The major objective is to create a very friendly environment for engineers to design, maintain and verify their model and also automatically convert the mathematical model into FORTRAN code for conventional computation. A demonstration program was designed for modeling the Space Shuttle Main Engine simulation mathematical model called Propulsion System Automatic Modeling (PSAM). PSAM provides a very friendly and well organized environment for engineers to build a knowledge base for base equations and general information. PSAM contains an initial set of component process elements for the Space Shuttle Main Engine simulation and a questionnaire that allows the engineer to answer a set of questions to specify a particular model. PSAM is then able to automatically generate the model and the FORTRAN code. A future goal is to download the FORTRAN code to the VAX/VMS system for conventional computation.

Wang, Caroline K.↗

High-performance windows improve thermal survivability of occupants during cold snaps

Exposure to low indoor air temperature is a major contributor to temperature-related mortality during extreme cold events, especially when power outages disrupt operation of space heating systems. This study explores the impact of high-performance windows on the thermal resilience of residential buildings during extreme cold weather and grid power outages, as well as their long-term benefits through energy efficiency and reduced risk of property damage. Building performance simulations were conducted for reference residential buildings in three construction vintages and two major U.S. cities located in cold climate zones, considering two types of extreme cold events: short and severe, and long and milder. Our research found that even houses compliant with current energy codes struggle to maintain safe indoor temperatures for more than a few hours during power outages, necessitating rapid evacuations. High-performance windows can extend the thermal survivability time by up to 3.8 days within a 7-day cold snap and significantly reduce risk of bursting frozen water pipes, depending on the building’s insulation and infiltration level, cold event severity, and occupant vulnerability. This extended thermal safety time is crucial in scenarios where reduced mobility complicates emergency responses in senior housing. In addition to boosting thermal resilience, upgrading older homes with high-performance windows can reduce heating energy consumption by over 18% and cooling energy by 15%. Our findings highlight the need to incorporate thermal resilience assessments into new designs or major retrofits, including the use of typical and extreme weather scenarios and advanced technologies like high-performance windows.

Krelling, Amanda F↗

Matilda v1.0: An R package for probabilistic climate projections using a reduced complexity climate model

A primary advantage to using reduced complexity climate models (RCMs) has been their ability to quickly conduct probabilistic climate projections, a key component of uncertainty quantification in many impact studies and multisector systems. Providing frameworks for such analyses has been a target of several RCMs used in studies of the future co-evolution of the human and Earth systems. In this paper, we present Matilda, an open-science R software package that facilitates probabilistic climate projection analysis, implemented here using the Hector simple climate model in a seamless and easily applied framework. The primary goal of Matilda is to provide the user with a turn-key method to build parameter sets from literature-based prior distributions, run Hector iteratively to produce perturbed parameter ensembles (PPEs), weight ensembles for realism against observed historical climate data, and compute probabilistic projections for different climate variables. This workflow gives the user the ability to explore viable parameter space and propagate uncertainty to model ensembles with just a few lines of code. The package provides significant freedom to select different scoring criteria and algorithms to weight ensemble members, as well as the flexibility to implement custom criteria. Additionally, the architecture of the package simplifies the process of building and analyzing PPEs without requiring significant programming expertise, to accommodate diverse use cases. We present a case study that provides illustrative results of a probabilistic analysis of mean global surface temperature as an example of the software application.

54 ENVIRONMENTAL SCIENCES↗

Architector for high-throughput cross-periodic table 3D complex building

Abstract Rare-earth and actinide complexes are critical for a wealth of clean-energy applications. Three-dimensional (3D) structural generation and prediction for these organometallic systems remains a challenge, limiting opportunities for computational chemical discovery. Here, we introduce Architector , a high-throughput in-silico synthesis code for s-, p-, d-, and f-block mononuclear organometallic complexes capable of capturing nearly the full diversity of the known experimental chemical space. Beyond known chemical space, Architector performs in-silico design of new complexes including any chemically accessible metal-ligand combinations. Architector leverages metal-center symmetry, interatomic force fields, and tight binding methods to build many possible 3D conformers from minimal 2D inputs including metal oxidation and spin state. Over a set of more than 6,000 x-ray diffraction (XRD)-determined complexes spanning the periodic table, we demonstrate quantitative agreement between Architector-predicted and experimentally observed structures. Further, we demonstrate out-of-the box conformer generation and energetic rankings of non-minimum energy conformers produced from Architector , which are critical for exploring potential energy surfaces and training force fields. Overall, Architector represents a transformative step towards cross-periodic table computational design of metal complex chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Progressive Fracture of Fiber Composite Build-Up Structures

Damage progression and fracture of built-up composite structures is evaluated by using computational simulation. The objective is to examine the behavior and response of a stiffened composite (0/ +/- 45/90)(sub s6) laminate panel by simulating the damage initiation, growth, accumulation, progression and propagation to structural collapse. An integrated computer code, CODSTRAN, was augmented for the simulation of the progressive damage and fracture of built-up composite structures under mechanical loading. Results show that damage initiation and progression have significant effect on the structural response. Influence of the type of loading is investigated on the damage initiation, propagation and final fracture of the build-up composite panel.

Gotsis, Pascal K.↗

Enhanced modeling features within TREETOPS

The original motivation for TREETOPS was to build a generic multi-body simulation and remove the burden of writing multi-body equations from the engineers. The motivation of the enhancement was twofold: (1) to extend the menu of built-in features (sensors, actuators, constraints, etc.) that did not require user code; and (2) to extend the control system design capabilities by linking with other government funded software (NASTRAN and MATLAB). These enhancements also serve to bridge the gap between structures and control groups. It is common on large space programs for the structures groups to build hi-fidelity models of the structure using NASTRAN and for the controls group to build lower order models because they lack the tools to incorporate the former into their analysis. Now the controls engineers can accept the hi-fidelity NASTRAN models into TREETOPS, add sensors and actuators, perform model reduction and couple the result directly into MATLAB to perform their design. The controller can then be imported directly into TREETOPS for non-linear, time-history simulation.

Vandervoort, R. J.↗

Progressive Fracture of Fiber Composite Build-Up Structures

Damage progression and fracture of built-up composite structures is evaluated by using computational simulation. The objective is to examine the behavior and response of a stiffened composite (0 +/-45/90)(sub s6) laminate panel by simulating the damage initiation, growth, accumulation, progression and propagation to structural collapse. An integrated computer code CODSTRAN was augmented for the simulation of the progressive damage and fracture of built-up composite structures under mechanical loading. Results show that damage initiation and progression to have significant effect on the structural response. Influence of the type of loading is investigated on the damage initiation, propagation and final fracture of the build-up composite panel.

Minnetyan, Levon↗

Proceedings of the Third International Workshop on Proof-Carrying Code and Software Certification

This NASA conference publication contains the proceedings of the Third International Workshop on Proof-Carrying Code and Software Certification, held as part of LICS in Los Angeles, CA, USA, on August 15, 2009. Software certification demonstrates the reliability, safety, or security of software systems in such a way that it can be checked by an independent authority with minimal trust in the techniques and tools used in the certification process itself. It can build on existing validation and verification (V&V) techniques but introduces the notion of explicit software certificates, Vvilich contain all the information necessary for an independent assessment of the demonstrated properties. One such example is proof-carrying code (PCC) which is an important and distinctive approach to enhancing trust in programs. It provides a practical framework for independent assurance of program behavior; especially where source code is not available, or the code author and user are unknown to each other. The workshop wiII address theoretical foundations of logic-based software certification as well as practical examples and work on alternative application domains. Here "certificate" is construed broadly, to include not just mathematical derivations and proofs but also safety and assurance cases, or any fonnal evidence that supports the semantic analysis of programs: that is, evidence about an intrinsic property of code and its behaviour that can be independently checked by any user, intermediary, or third party. These guarantees mean that software certificates raise trust in the code itself, distinct from and complementary to any existing trust in the creator of the code, the process used to produce it, or its distributor. In addition to the contributed talks, the workshop featured two invited talks, by Kelly Hayhurst and Andrew Appel. The PCC 2009 website can be found at http://ti.arc.nasa.gov /event/pcc 091.

Ewen, Denney, W.↗

A Parallel Computing Infrastructure for Building Energy Simulation

In order to study grid-interactive efficient buildings, Pacific Northwest National Laboratories (PNNL) needs an infrastructure for urban-scale building energy modeling. Such an infrastructure should be fast, scalable, and easy-to-use. Given a set of data from the Energy Information Administration’s Commercial Building Energy Consumption Survey (CBECS) and tool to translate survey data into simulation inputs, this project aimed to conduct the simulation of the entire dataset in parallel. Before running the simulations, the necessary software was bundled into a container for use on the PNNL supercomputing network. Then, the parallel simulation workflow was designed using GNU Make, a file creation software, and submitted to a supercomputing partition which could run hundreds of simulations simultaneously. The EnergyPlus simulations output hourly electric meter data for each CBECS sample, which represents the electricity consumption of similar commercial buildings across the United States. Analyzing and visualizing the meter data is important to the future of the work, and this project wrote code to make common analysis methods simple, fast, and accessible. Moving forwards, the model will need to be expanded to include data from other sources and its accuracy will need to be improved and eventually validated.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Impact of LWR Assembly Structural Features on Cladding Burst Behavior under LOCA Conditions

This report builds on the previous work by assessing the impact of assembly structural features on cladding balloon and burst behavior. The BISON fuel performance code was used to generate two dimensional RZ meshes containing structural features commonly used in nuclear fuel assemblies. The results were then compared to the cladding burst temperature and balloon strain results from the previous work. A mesh sensitivity study was performed to ensure spacer grid effects were appropriately considered, resulting in a more refined mesh than the previous study. The balloon deformation and burst times of the cladding were compared. Consideration was also given to the effect of rod initial pressure. Overall, the BISON simulations indicated the spacer grids can locally influence cladding performance, however, the impact on the cladding performance was minor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Rapid Prototyping of an Aircraft Model in an Object-Oriented Simulation

A team was created to participate in the Mars Scout Opportunity. Trade studies determined that an aircraft provided the best opportunity to complete the science objectives of the team. A high fidelity six degree of freedom flight simulation was required to provide credible evidence that the aircraft design fulfilled mission objectives and to support the aircraft design process by providing performance evaluations. The team created the simulation using the Langley Standard Real-Time Simulation in C++ (LaSRS++) application framework. A rapid prototyping approach was necessary because the team had only three months to both develop the aircraft simulation model and evaluate aircraft performance as the design and mission parameters matured. The design of LaSRS++ enabled rapid-prototyping in several ways. First, the framework allowed component models to be designed, implemented, unit-tested, and integrated quickly. Next, the framework provides a highly reusable infrastructure that allowed developers to maximize code reuse while concentrating on aircraft and mission specific features. Finally, the framework reduces risk by providing reusable components that allow developers to build a quality product with a compressed testing cycle that relies heavily on unit testing of new components.

Kenney, P. Sean↗

The DaveMLTranslator: An Interface for DAVE-ML Aerodynamic Models

It can take weeks or months to incorporate a new aerodynamic model into a vehicle simulation and validate the performance of the model. The Dynamic Aerospace Vehicle Exchange Markup Language (DAVE-ML) has been proposed as a means to reduce the time required to accomplish this task by defining a standard format for typical components of a flight dynamic model. The purpose of this paper is to describe an object-oriented C++ implementation of a class that interfaces a vehicle subsystem model specified in DAVE-ML and a vehicle simulation. Using the DaveMLTranslator class, aerodynamic or other subsystem models can be automatically imported and verified at run-time, significantly reducing the elapsed time between receipt of a DAVE-ML model and its integration into a simulation environment. The translator performs variable initializations, data table lookups, and mathematical calculations for the aerodynamic build-up, and executes any embedded static check-cases for verification. The implementation is efficient, enabling real-time execution. Simple interface code for the model inputs and outputs is the only requirement to integrate the DaveMLTranslator as a vehicle aerodynamic model. The translator makes use of existing table-lookup utilities from the Langley Standard Real-Time Simulation in C++ (LaSRS++). The design and operation of the translator class is described and comparisons with existing, conventional, C++ aerodynamic models of the same vehicle are given.

Hill, Melissa A.↗

Creating Data-Driven Vector Visualizations of Satellite Orbit Tracks Using NASA GIBS and Worldview

NASA Earth Observing System (EOS) currently operates dozens of remote sensing satellites, many of which can be viewed directly in NASA’s open-source Worldview application. Much of this satellite imagery can be viewed in near-real time as it is processed and served by NASA’s Global Imagery Browse Service (GIBS). To better educate users on the time and location of imagery, GIBS serves orbit track specific layers for each satellite. Worldview has historically served these layers as raster images but recent updates have enabled the application to now serve these layers using vector tiles. With the release of Worldview v3.0, orbit track layers can be displayed using mapbox vector tiles (MVT). This visualization format allows users to not only view and change the color of orbit track layers, as they could do previously with rasters, but also inspect individual vector points and filter layers by specific parameters such as time. The data contained within a MVT is further enhanced in Worldview with the combination of a JSON description file served from GIBS used to describe the MVT data. This presentation will provide an overview of the process of consuming orbit track vector tiles and data files from GIBS using a pipeline to configure, build and ultimately display the orbit tracks in Worldview. Furthermore, the presentation aims to describe how others can leverage our open-source code to display and enhance vector layers in their own applications.

Rice, Zachary↗

Simple, Secure, Internet Delivery of MOOSE-based Applications

Application packaging and distribution are the final steps for delivering software to end-users; both are frequently neglected when creating scientific software. Commercial businesses rely on electronic distribution systems that have rendered disk drives obsolete. Still, national laboratories continue to rely heavily on removable media to distribute and limit access to controlled applications. With increasing concerns of unauthorized copying of sensitive applications, a modern distribution system that utilizes cryptographically secure communication and authentication protocols has been developed. This new distribution system will secure the chain of custody for nuclear software while simultaneously simplifying access to these tools. This report summarizes four primary advancements made toward the secure distribution of Nuclear Energy Advanced Modeling and Simulation (NEAMS)-developed, Multiphysics Object Oriented Simulation Environment (MOOSE)-based applications: application installation, package distribution, automated package building, and distribution of documentation. NEAMS is currently developing more than ten separate applications based on the open-source MOOSE Framework. Distribution of these applications has primarily been accomplished by distributing source code, with end-users compiling the applications themselves. This work created a mechanism where MOOSE applications can be installed in a similar way to any other software. This allows both administrators and end-users simplified access to runnable executables. With this new installation capability, it was then possible to rethink distribution. A new, secure capability for delivering MOOSE-based applications over the internet has been created. This system requires unique cryptographic tokens for authentication, greatly securing the custody chain for software. Once granted access, installation of any NEAMS code can be accomplished with these terminal commands: "conda install ncrc" "ncrc install ncrc-bison." After these two commands (and authenticating) the BISON application will be securely down- loaded from Idaho National Laboratory (INL)’s servers, installed, and ready to use. To enable this new distribution capability to be successful, the open-source Continuous Integration, Verification, Enhancement, and Testing (CIVET) Continuous Integration (CI) capability was augmented to add Continuous Delivery (CD). CD enables the automated building and packaging of MOOSE-based applications as they are modified by development teams, ensuring that our customers can obtain up-to-date versions of the software at any time. The need for instruction on how to use these applications was addressed through modifications to the MOOSE documentation system. The MooseDocs capability, which enables robust documentation of MOOSE-based applications, has been extended to allow both for the installation of documentation and the packaging of documentation with installed applications. Together, these enhancements form the core of a new, secure distribution mechanism for nuclear simulation tools. In concert with the Nuclear Computational Resource Center (NCRC), NEAMS- developed applications will now be straightforward to obtain securely.

97 MATHEMATICS AND COMPUTING↗

LaSRC (Land Surface Reflectance Code): Overview, Application and Validation Using MODIS, VIIRS, LANDSAT and Sentinel 2 Data's

This paper presents a generic approach developed to derive surface reflectance over land from a variety of sensors. This technique builds on the extensive dataset acquired by the Terra platform by combining MODIS and MISR to derivean explicit and dynamic map of band ratio's between blue and red channels and is a refinement of the operational approach used for MODIS and LANDSAT over the past 15 years. We will present the generic approach and the application to MODIS VIIRS, LANDSAT and Sentinel 2 data's and its validation using the AERONET data.

validation↗

Completing the Circuit: Workforce Development for Advanced Building Construction and Grid-Interactive Efficient Buildings

This paper will present key findings from a future-oriented qualitative study investigating likely futures for the next 5-10 years in the architecture, engineering, construction, and operations industry. This research offers an original contribution to the buildings industry by articulating an actionable framework to more effectively build connections between built environment fields. Whereas the ideal of interdisciplinary, research driven practice underlies the approach to pedagogy at many schools of architecture, innovation in the profession, such as the integrated design process, has been limited. This project applies Legitimation Code Theory (LCT) to the analysis of data gathered from interviews and a review of industry reports.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Closed Loop Geothermal Working Group: GeoCLUSTER App, Subsurface Simulation Results, and Publications

To better understand the heat production, electricity generation performance, and economic viability of closed-loop geothermal systems in hot-dry rock, the Closed-Loop Geothermal Working Group -- a consortium of several national labs and academic institutions has tabulated time-dependent numerical solutions and levelized cost results of two popular closed-loop heat exchanger designs (u-tube and co-axial). The heat exchanger designs were evaluated for two working fluids (water and supercritical CO2) while varying seven continuous independent parameters of interest (mass flow rate, vertical depth, horizontal extent, borehole diameter, formation gradient, formation conductivity, and injection temperature). The corresponding numerical solutions (approximately 1.2 million per heat exchanger design) are stored as multi-dimensional HDF5 datasets and can be queried at off-grid points using multi-dimensional linear interpolation. A Python script was developed to query this database and estimate time-dependent electricity generation using an organic Rankine cycle (for water) or direct turbine expansion cycle (for CO2) and perform a cost assessment. This document aims to give an overview of the HDF5 database file and highlights how to read, visualize, and query quantities of interest (e.g., levelized cost of electricity, levelized cost of heat) using the accompanying Python scripts. Details regarding the capital, operation, and maintenance and levelized cost calculation using the techno-economic analysis script are provided. This data submission will contain results from the Closed Loop Geothermal Working Group study that are within the public domain, including publications, simulation results, databases, and computer codes. GeoCLUSTER is a Python-based web application created using Dash, an open-source framework built on top of Flask that streamlines the building of data dashboards. GeoCLUSTER provides users with a collection of interactive methods for streamlining the exploration and visualization of an HDF5 dataset. The GeoCluster app and database are contained in the compressed file geocluster_vx.zip, where the "x" refers to the version number. For example, geocluster_v1.zip is Version 1 of the app. This zip file also contains installation instructions. **To use the GeoCLUSTER app in the cloud, click the link to "GeoCLUSTER on AWS" in the Resources section below. To use the GeoCLUSTER app locally, download the geocluster_vx.zip to your computer and uncompress this file. When uncompressed this file comprises two directories and the geocluster_installation.pdf file. The geo-data app contains the HDF5 database in condensed format, and the GeoCLUSTER directory contains the GeoCLUSTER app in the subdirectory dash_app, as app.py. The geocluster_installation.pdf file provides instructions on installing Python, the needed Python modules, and then executing the app.

15 GEOTHERMAL ENERGY↗