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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

SPH Modeling of Biomass Granular Flow: Engineering Application in Hoppers and Augers

Numerical modeling of granular biomass material flow in handling operations is indispensable to decipher flow upsets, commonly manifested as clogging and jamming in hoppers and augers. With a computational tool developed based on smoothed particle hydrodynamics (SPH), we simulated the hopper flow and auger feeding of six granular biomass materials. The good agreement between the experimental and numerical flow rates demonstrated the capability of the developed SPH solver in modeling the complicated flow of granular biomass materials. Further, the impact of physical and numerical parameters is investigated, and the major results show that the hopper flow pattern is controlled by shear band evolution; hopper clogging is collectively influenced by the opening size, wall friction, and material packing, and the impact of material compressibility on the auger feed rate is minimal. These parametric studies validate the solver’s robustness in simulating biomass flow in handling equipment and demonstrate that the SPH computational tool can provide insights about granular flow mechanics to facilitate handling equipment design and optimize handling operations.

09 BIOMASS FUELS↗
DOE OSTI2021

A Benchmark Case for the Grid Survivability Analysis

Among current priorities of the power system analysis is the development of metrics and computational tools for the resilience analysis during catastrophic events. New methods and tools are required for such an analysis and they have to be validated prior application to real systems. However, benchmark problems are not readily available due to the analysis novelty. The current paper presents a case based on the IEEE 14-bus system for this purpose. The grid is simplified to a graph with nodes representing generators, loads, and buses. Power inputs are imported from real-time simulations of the IEEE 14-bus system. Outcomes of all possible combinations of failed elements are presented in terms of probabilities for the grid to survive, partially survive, or fail. Only the power grid's ability to withstand adverse events (survivability) is analyzed. The grid's recoverability, the other part of the resilience analysis, is not considered.

power system↗
DOE OSTI2022

Language models for the prediction of SARS-CoV-2 inhibitors

The COVID-19 pandemic highlights the need for computational tools to automate and accelerate drug design for novel protein targets. We leverage deep learning language models to generate and score drug candidates based on predicted protein binding affinity. We pre-trained a deep learning language model (BERT) on ∼9.6 billion molecules and achieved peak performance of 603 petaflops in mixed precision. Our work reduces pre-training time from days to hours, compared to previous efforts with this architecture, while also increasing the dataset size by nearly an order of magnitude. For scoring, we fine-tuned the language model using an assembled set of thousands of protein targets with binding affinity data and searched for inhibitors of specific protein targets, SARS-CoV-2 Mpro and PLpro. We utilized a genetic algorithm approach for finding optimal candidates using the generation and scoring capabilities of the language model. Our generalizable models accelerate the identification of inhibitors for emerging therapeutic targets.

Blanchard, Andrew E.↗
NASA NTRS2013

A Model to Assess the Risk of Ice Accretion Due to Ice Crystal Ingestion in a Turbofan Engine and its Effects on Performance

The occurrence of ice accretion within commercial high bypass aircraft turbine engines has been reported under certain atmospheric conditions. Engine anomalies have taken place at high altitudes that were attributed to ice crystal ingestion, partially melting, and ice accretion on the compression system components. The result was one or more of the following anomalies: degraded engine performance, engine roll back, compressor surge and stall, and flameout of the combustor. The main focus of this research is the development of a computational tool that can estimate whether there is a risk of ice accretion by tracking key parameters through the compression system blade rows at all engine operating points within the flight trajectory. The tool has an engine system thermodynamic cycle code, coupled with a compressor flow analysis code, and an ice particle melt code that has the capability of determining the rate of sublimation, melting, and evaporation through the compressor blade rows. Assumptions are made to predict the complex physics involved in engine icing. Specifically, the code does not directly estimate ice accretion and does not have models for particle breakup or erosion. Two key parameters have been suggested as conditions that must be met at the same location for ice accretion to occur: the local wet-bulb temperature to be near freezing or below and the local melt ratio must be above 10%. These parameters were deduced from analyzing laboratory icing test data and are the criteria used to predict the possibility of ice accretion within an engine including the specific blade row where it could occur. Once the possibility of accretion is determined from these parameters, the degree of blockage due to ice accretion on the local stator vane can be estimated from an empirical model of ice growth rate and time spent at that operating point in the flight trajectory. The computational tool can be used to assess specific turbine engines to their susceptibility to ice accretion in an ice crystal environment.

Jorgenson, Philip C. E.↗
DOE OSTI2021

USAMP Low-Cost Mg Sheet Component Development and Demonstration Project

The overarching objective of this USAMP project was to develop and demonstrate door panels made from magnesium (Mg) sheet with a cost penalty over conventional steel stampings of no more than $\$5.50$/kg saved. The technical approach integrated experiments with advanced computational tools based on Integrated Computational Materials Engineering (ICME) methods to develop new alloy chemistries and their thermomechanical processing that promise improved formability and lower forming temperatures. A penultimate task before finally forming the stampings was to incorporate actual microstructure into models that would enable formability simulations. This approach would, for the first time, account for individual magnesium grains moving in an anisotropic fashion unlike that for aluminum or steel that have isotropic properties upon which the current simulation tools are based. In separate activities, new coatings and lubricants to facilitate forming and improved corrosion protection and joining strategies, were developed to ensure that the door could be produced with stated product requirements. A technical cost model, which included parts production, assembly, and paint for a door specifically designed for Mg sheet, showed the cost penalty to be between $\$4.26$ to $\$6.60$/kg saved, which enveloped the project’s cost targets. The cost of the coated Mg sheet was identified as the key driver for the cost penalty. The mass of the Mg-intensive door was 7.9 kg, which was 54% less than the baseline steel door.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Low-Cost Magnesium Alloy Sheet Component Development and Demonstration Project

The overarching objective of this USAMP project was to develop and demonstrate door panels made from magnesium (Mg) sheet with a cost penalty over conventional steel stampings of no more than $5.50/kg saved. The technical approach integrated experiments with advanced computational tools based on Integrated Computational Materials Engineering (ICME) methods to develop new alloy chemistries and their thermomechanical processing that promise improved formability and lower forming temperatures. A penultimate task before finally forming the stampings was to incorporate actual microstructure into models that would enable formability simulations. This approach would, for the first time, account for individual magnesium grains moving in an anisotropic fashion unlike that for aluminum or steel that have isotropic properties upon which the current simulation tools are based. In separate activities, new coatings and lubricants to facilitate forming and improved corrosion protection and joining strategies, were developed to ensure that the door could be produced with stated product requirements. A technical cost model, which included parts production, assembly, and paint for a door specifically designed for Mg sheet, showed the cost penalty to be between 4.26 USD to 6.60 USD/kg saved, which enveloped the project’s cost targets. The cost of the coated Mg sheet was identified as the key driver for the cost penalty. The mass of the Mg-intensive door was 7.9 kg, which was 54% less than the baseline steel door.

36 MATERIALS SCIENCE↗
DOE OSTI2023

QuDPy: A Python-based tool for computing ultrafast non-linear optical responses

Nonlinear Optical Spectroscopy is a well-developed field with theoretical and experimental advances that have benefited multiple disciplines, including chemistry, biology, and physics. However, for the accurate interpretation of the corresponding multi-dimensional spectra, there is a need for precise quantum dynamical simulations based on model Hamiltonians. In this article, we present the initial release of our code, QuDPy (Quantum Dynamics in Python), which provides a robust numerical platform for performing quantum dynamics simulations based on model systems, including open quantum systems. Furthermore, a distinguishing feature of our approach is the ability to specify various high-order optical response pathways in the form of double-sided Feynman diagrams through a straightforward input syntax. This syntax outlines the time-ordering of ket-sided or bra-sided optical interactions acting on the time-evolving density matrix of the system. We utilize the quantum dynamics capabilities of QuTip to simulate the spectral response of complex systems, allowing us to compute virtually any $n$-th order optical response of the model system. To illustrate the utility of our approach, we provide a series of example calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Predictive Models and High-Performance Computing as Tools to Accelerate the Scaling-Up of New Bio-Based Fuels Workshop: Summary Report

This report summarizes the results of a virtual workshop sponsored by the Bioenergy Technologies Office held on June 9–11, 2020. The workshop discussed best practices for utilizing mathematical modeling tools across multiple scales to reduce technology uncertainty and accelerate scaling-up of biorefinery/chemical production equipment and optimize operations.

09 BIOMASS FUELS↗
DOE OSTI2023

A Computer Design Tool for Ceramic Receivers

Gen3 solar receivers and other components will experience a combination of high temperatures and high stress caused by thermal stress and internal pressure. Under these conditions metallic components, even those manufactured from nickel-based superalloys, have poor reliability. Engineering ceramics could be a solution, as these materials have excellent high temperature strength. However, accurately assessing the reliability of a ceramic component operating in these conditions requires an entirely different approach compared to metallic materials. This paper describes the implementation of statistical models for evaluating the reliability of high temperature ceramic components in srlife – an open-source software package for estimating the life of high temperature concentrating solar power equipment. This new capability allows users to make fair comparisons between competing metallic and ceramic component designs and to accurately assess the plant efficiency and economics of ceramic solar receivers and other components.

Messner, Mark (ORCID:0000000200404385)↗
NASA NTRS1980

Computer controlled tooling for Space Shuttle external tank

Implementation of the thermal protection system on the external tank used with the Space Shuttle requires application of various materials over large areas, to well-defined tolerances. This paper describes a minicomputer-based system developed to control the process tooling used for this task. The process requirements and the resultant hardware/software system are discussed. The results to date and plans for future expansion are outlined.

Meyer, R. A.↗
NASA NTRS1983

MINIVER upgrade for the AVID system. Volume 1: LANMIN user's manual

The successful design of thermal protection systems for vehicles operating in atmosphere and near space environments requires accurate analyses of heating rate and temperature histories encountered along a trajectory. For preliminary design calculations, however, the requirement for accuracy must be tempered by the need for speed and versatility in computational tools used to determine thermal environments and structural thermal response. The MINIVER program has been found to provide the proper balance between versatility, speed and accuracy for an aerothermal prediction tool. The advancement in computer aided design concepts at Langley Research Center (LaRC) in the past few years has made it desirable to incorporate the MINIVER program into the LaRC Advanced Vehicle Integrated Design, AVID, system. In order to effectively incorporate MINIVER into the AVID system, several changes to MINIVER were made. The thermal conduction options in MINIVER were removed and a new Explicit Interactive Thermal Structures (EXITS) code was developed. Many upgrades to the MINIVER code were made and a new Langley version of MINIVER called LANMIN was created. The theoretical methods and subroutine functions used in LANMIN are described.

Engel, C. D.↗
NASA NTRS1983

MINIVER upgrade for the AVID system. Volume 3: EXITS user's and input guide

The successful design of thermal protection systems for vehicles operating in atmosphere and near-space environments requires accurate analyses of heating rate and temperature histories encountered along a trajectory. For preliminary design calculations, however, the requirement for accuracy must be tempered by the need for speed and versatility in computational tools used to determine thermal environments and structural thermal response. The MINIVER program was found to provide the proper balance between versatility, speed and accuracy for an aerothermal prediction tool. The advancement in computer aided design concepts at Langley Research Center (LaRC) in the past few years has made it desirable to incorporate the MINIVER program into the LaRC Advanced Vehicle Integrated Design, AVID, system. In order to effectively incorporate MINIVER into the AVID system, several changes to MINIVER were made. The thermal conduction options in MINIVER were removed and a new Explicit Interactive Thermal Structures (EXITS) code was developed. Many upgrades to the MINIVER code were made and a new Langley version of MINIVER called LANMIN was created.

Pond, J. E.↗
NASA NTRS1988

AI tools in computer based problem solving

The use of computers to solve value oriented, deterministic, algorithmic problems, has evolved a structured life cycle model of the software process. The symbolic processing techniques used, primarily in research, for solving nondeterministic problems, and those for which an algorithmic solution is unknown, have evolved a different model, much less structured. Traditionally, the two approaches have been used completely independently. With the advent of low cost, high performance 32 bit workstations executing identical software with large minicomputers and mainframes, it became possible to begin to merge both models into a single extended model of computer problem solving. The implementation of such an extended model on a VAX family of micro/mini/mainframe systems is described. Examples in both development and deployment of applications involving a blending of AI and traditional techniques are given.

Beane, Arthur J.↗
NASA NTRS1989

Transonic CFD applications at Boeing

The use of computational methods for three dimensional transonic flow design and analysis at the Boeing Company is presented. A range of computational tools consisting of production tools for every day use by project engineers, expert user tools for special applications by computational researchers, and an emerging tool which may see considerable use in the near future are described. These methods include full potential and Euler solvers, some coupled to three dimensional boundary layer analysis methods, for transonic flow analysis about nacelle, wing-body, wing-body-strut-nacelle, and complete aircraft configurations. As the examples presented show, such a toolbox of codes is necessary for the variety of applications typical of an industrial environment. Such a toolbox of codes makes possible aerodynamic advances not previously achievable in a timely manner, if at all.

Tinoco, E. N.↗
NASA NTRS2007

Software Tool for Computing Maximum Von Mises Stress

The maximum Van Mises stress and stress direction are of interest far analyzing launch accelerations such as with the Mass Acceleration Curves developed by JPL. Maximum launch stresses can be combined with appropriate load cases at consistent locations with resulting stress tensors. Maximum Van Mises stress is also of interest for understanding maximum operational loading such as traverse events. - For example, planetary traversing simulations may prescribe bounding acceleration values during traverse for a rover such as Mars Science Lab (MSL) in (X,Y,Z) of the rover. - Such accelerations can be really in any directions for many parts such as a mast or head mounted components which can be in numerous configurations and orientations when traversing a planet surface.

software↗
NASA NTRSDate not supplied

Shock-Buffet Prediction Report in Support of the High Angle Working Group at the Third Aeroelastic Prediction Workshop

This paper presents a summary of the computational shock-buffet results associated with the third Aeroelastic Prediction Workshop (AePW-3) High-Angle Working Group. The computational results are compared against experimental data collected during the Oscillating Turn Table (OTT) Benchmark Supercritical Wing (BSCW) test campaign conducted in NASA Langley Research Center Transonic Dynamics Tunnel (TDT) in early 2000. In addition to experimental forced oscillation data, unsteady pressure data was collected at a single spanwise station at transonic Mach numbers, several values of dynamic pressure, and fixed angles of attack. It is acknowledged that the current experimental data are limited, but future experiments are planned to obtain pressure data at two wingspan stations in addition to unsteady Pressure Sensitive Paint (uPSP). With that, the computational results presented here are considered to be semi-blind. The results are presented in the form of time-varying pressure coefficients, running-mean values of the pressure coefficients, Power Spectral Density (PSD) and Strouhal number computations. The results are split into two parts. In the first part, the computational results obtained by each team using their flow solvers and grids are compared. In the second part, a single computational tool was used to compute unsteady pressure on participant-generated grids. In addition, a description of each participating team’s software and methods is included.

Pawel Chwalowski↗