Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “advanced computational capabilities”

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

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

At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

Numerical Prediction Methods (Reynolds-Averaged Navier-Stokes Simulations of Transonic Separated Flows)

During the past five years, numerous pioneering archival publications have appeared that have presented computer solutions of the mass-weighted, time-averaged Navier-Stokes equations for transonic problems pertinent to the aircraft industry. These solutions have been pathfinders of developments that could evolve into a major new technological capability, namely the computational Navier-Stokes technology, for the aircraft industry. So far these simulations have demonstrated that computational techniques, and computer capabilities have advanced to the point where it is possible to solve forms of the Navier-Stokes equations for transonic research problems. At present there are two major shortcomings of the technology: limited computer speed and memory, and difficulties in turbulence modelling and in computation of complex three-dimensional geometries. These limitations and difficulties are the pacing items of the continuing developments, although the one item that will most likely turn out to be the most crucial to the progress of this technology is turbulence modelling. The objective of this presentation is to discuss the state of the art of this technology and suggest possible future areas of research. We now discuss some of the flow conditions for which the Navier-Stokes equations appear to be required. On an airfoil there are four different types of interaction of a shock wave with a boundary layer: (1) shock-boundary-layer interaction with no separation, (2) shock-induced turbulent separation with immediate reattachment (we refer to this as a shock-induced separation bubble), (3) shock-induced turbulent separation without reattachment, and (4) shock-induced separation bubble with trailing edge separation.

Mehta, Unmeel↗
NASA NTRSDate not supplied

Dynamic Stability Methodologies and Capabilities

The topic of this presentation is a multi-center effort to improve the undersanding and characterization of dynamic stability. An assessment of existing experimental and computational tools for characterizing dynamic stability will be discussed. Current state-of-the-art experimental techniques, and known gaps/overlaps between facilities is presented. Finally, advancements in computational capabilities under the direction of ESM is presenting using the Free-Flight CFD solver within US3D.

Joseph Brock↗
DOE OSTI2022

Machine-Learning for Excited-State Dynamics

The primary objective of this computational chemistry sciences team is to design a machine learning NAMD environment that will utilize current petascale and future exascale computational capabilities to advance understanding of charge and energy flow in materials. Our machine-learning NAMD environment will 1) integrate advanced NAMD capabilities directly into electronic structure software (e.g., ABINIT, Quantum Espresso, VASP, etc.); 2) merge the preparatory tools of Pychemia into PYXAID and Avogadro environments so that massive data collection from NAMD simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A level-of-details framework for representing occupant behavior in agent-based models

We report agent-based modeling is an advanced computational technique capable of representing complex and dynamic processes of human behavior in building performance simulation. Though the agent-based approach supports diverse applications concerning human behavior modeling within the built environment, there is no consensus on the optimal amount of information or level of granularity needed for occupant information representation. This paper attempts to formalize the level of details (LoD) needed for occupant behavior representation in agent-based environments. A novel framework, grounded on the concept of LoD, is proposed to select the required details in representing occupants in agent-based models. Ten attributes related to occupants' presence, movement, behavioral processes, and repertoire are considered to define the LoD. The framework identifies use case parameters as the guiding principle and allows a hybrid approach for selecting varying degrees of occupant attributes to serve the purpose of simulation. A discussion on the pertinence of different occupant behavior LoDs in relation to the desired objective and simulation context is also presented. The study intends to support the occupant behavior research by advancing agent-based occupant modeling in building performance simulation.

42 ENGINEERING↗
DOE OSTI2024

Aggregate data‐driven dynamic modeling of active distribution networks with DERs for voltage stability studies

Abstract Electric distribution networks increasingly host distributed energy resources based on power electronic converter (PEC) toward active distribution networks (ADN). Despite advances in computational capabilities, electromagnetic transient models are limited in scalability because of their reliance on exact data about the distribution system and each of its components. Similarly, the use of the DER_A model, which is intended to examine the combined dynamic behavior of many DERs, is limited by the difficulty in parameterization. There is a need for improved dynamic models of DERs for use in large power system simulations for stability analysis. This paper proposes an aggregate model‐free, data‐driven approach for deriving a dynamic partitioned model (DPM) of ADNs. Detailed residential distribution feeders were first developed, including PEC‐based DERs and composite load models (CMLDs), from which the aggregated DPM was derived. The performance was evaluated through various case studies and validated against the detailed ADN model and state‐of‐the‐art DER_A model with CMLD. The data‐driven DPM achieved a of over 90%, accurately representing the aggregated dynamic behavior of ADNs. Furthermore, the DPM significantly accelerated the simulation process with a computational speedup of 68 times compared to the detailed ADN and a 3.5 times speedup compared to the DER_A CMLD model.

42 ENGINEERING↗
DOE OSTI2021

Particle resonances in stellarators

Resonances of high energy particles in magnetic confinement devices due to electromagnetic instabilities can strongly modify the particle distribution, leading to a reduction in fusion power and even discharge termination and particle loss to the device walls through an avalanche. The existence of a mode particle resonance depends on the properties of the equilibrium and particle parameters, and their number, location, and density can vary with device design. Recently, the advent of more powerful computing capabilities and advanced theoretical understanding has led to the design of non-axisymmetric devices or stellarators, which could prove to be more advantageous than tokamaks. Stellarators have the advantage of being immune to major disruptions because of the very low plasma current. One of the problems shared by both types of devices is the existence of resonances in particle orbits, which can lead to large amplitude high frequency instabilities and subsequent induced particle loss. We examine the number of resonances, their location, and dependence on particle energy for some stellarator designs.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Computational electron–phonon superconductivity: from theoretical physics to material science

The search for room-temperature superconductors is a major challenge in modern physics. The discovery of copper-oxide superconductors in 1986 brought hope but also revealed complex mechanisms that are difficult to analyze and compute. In contrast, the traditional electron–phonon coupling (EPC) mechanism facilitated the practical realization of superconductivity (SC) in metallic hydrogen. Since 2015, the discovery of new hydrogen compounds has shown that EPC can enable room-temperature SC under high pressures, driving extensive research. Advances in computational capabilities, especially exascale computing, now allow for the exploration of millions of materials. This paper reviews newly predicted superconducting systems in 2023–2024, focusing on hydrides, boron–carbon systems, and compounds with nitrogen, carbon, and pure metals. Although many computationally predicted high-T c superconductors were not experimentally confirmed, some low-temperature superconductors were successfully synthesized. This paper provides a review of these developments and future research directions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Experimental Study of the Fundamental Properties of Warm Dense Mixtures

The aim of the proposed research was to provide a multi-scale study of the properties of warm dense hydrocarbons, by studying the thermodynamic properties through the equation of state and the microscopic properties by x-ray scattering. Understanding the fundamental properties of warm dense mixtures is an intellectual challenge due to the complexity of the system. Unlike liquids or gases, where constituent particle interactions occur through collisions or bonding between valence electrons, in these strongly coupled systems the atoms will be partially ionized and compressed so tightly together that interactions between the inner core electrons can play a role in the systems chemistry. Advances in computational capabilities and development of new theoretical models have been used to predict the properties of mixtures but there is currently no experimental data of the fundamental interaction between the particles in mixtures to test these predictions against. The proposed research was to experimentally investigate the interaction of the different species in hydrocarbons by measuring the compressibility of substances with different carbon and hydrogen ratios and the complexity of the microscopic interactions through elastic and inelastic x-ray scattering. To study the bulk properties of warm dense hydrocarbons we established the Warm Dense Matter Research Laboratory (WDMRL) in the Institute for Shock Physics at Washington State University. The goal was for experiments in the WDMRL to determine shock loading conditions of interest in the hydrocarbon mixtures. We planned on using Hugoniot EOS measurements and a range of carbon and hydrogen concentrations to determine conditions when the EOS of the mixture varied significantly from that of the classical mixing model. Even though shock transit measurements through aluminum foils suggested pressures upto 400GPa, the experiments in the WDMRL were unsuccessful in getting usable shockwave compression data above 100GPa in polystyrene which was below the pressure of interest for hydrocarbon mixtures (>200GPa). To complete the project, we tested a technique using x-ray phase contrast imaging to map the location of tracer layers in a test sample of polycarbonate to record the material motion in dynamically compressed samples. A technique that will be useful for future warm dense matter experiments. These experiments used <200nm gold layers in polycarbonate samples to measure the material velocity and shock speed using x-ray phase contrast imaging. These results were compared to continuum surface measurements performed at ISP and show that the tracer layer technique can measure hydrodynamic properties accurately in dynamically compressed materials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

A Strategy for NACS investment in Machine Learning

The Nuclear and Chemical Sciences (NACS) Division furnishes the expertise in the scientific areas of chemical, nuclear and isotopic sciences that are foundational in the Laboratory’s national security missions. This expertise is maintained and advanced through identification, development and application of state-of-the-art theoretical, computational and experimental methods and tools. Recent developments in artificial intelligence and machine learning (AI/ML) techniques enabled by advances in computing capabilities and widespread availability of powerful software implementations have made use of these techniques ubiquitous across both science and industry. While the scope of AI/ML applications is incredibly large and evolves very rapidly, the topics most relevant to NACS missions fall into the general category of detecting, categorizing or identifying features in large, complex datasets using either supervised or unsupervised learning. This covers both basic scientific data analysis and the development of efficient surrogate models of real-life technological systems, experimental detectors, or theoretical models. To remain at the forefront of its core scientific disciplines, NACS must both cultivate ML expertise as well as continuously explore applying this expertise to new problems or utilizing new methods. This document identifies the key areas where this support is critical and provides a strategy for investing in them.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

An Assessment of Machine Learning Applied to Ultrasonic Nondestructive Evaluation

In the United States, the nuclear industry performs inservice inspection (ISI) through nondestructive examination (NDE) methods in accordance with guidelines specified in the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC), Section XI, Rules for Inservice Inspection of Nuclear Power Plant Components. Ultrasonic nondestructive testing and evaluation (NDT&E) is one of the more commonly used techniques for inspecting Class 1 structural components in nuclear power systems. As the number of qualified NDE inspectors declines, the nuclear industry is looking to take advantage of advances in automation to enhance inspection capabilities. Advances in computational power, cloud-based computing, and machine learning algorithms make automated data analysis possible. Machine learning (ML) has shown huge potential in automated data analyses for ultrasonic NDE in the context of weld inspections.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Atomistic Simulations for Thermophysical Properties of Uranium-Containing Halide Molten Salts

Characterizing the thermophysical properties in both fuel and coolant salts are critical in modeling, developing, process optimizing and utilizing molten salt reactors (MSRs), as these properties directly relate to operation metrics and can inform on the selection of candidate salts. The demand for consistent, accurate and publicly available thermophysical property data has become more apparent in recent years as interests have increased from molten salt reactor developers. There are a number of challenges in experimentally measuring properties such as thermal conductivity, viscosity, density and heat capacity , which have led to sparse and often times conflicting data points or molten salts in general. Additionally, there are a number of hazards to consider when synthesizing, storing, using, treating and disposing of molten salts. With the advances in computational capabilities over the last 10 years, the use of atomistic simulations can be implemented to support these efforts. The primary objective of this work is characterize the thermophysical transport properties in a number of molten chloride salts, and in particular NaCl-UCl 3 using ab-initio molecular dynamic (AIMD) simulations. In this binary salt the UCl 3 acts as the primary fissile material and NaCl acts as a carrier salt due with its’ high solubility for actinides A number of studies on the thermophysical properties of NaCl-UCl 3 have been published but there is not a vast amount of viscosity data for this system. In 1975, Desyatnik, et al published a study reporting dynamic viscosities that were calculated from kinematic viscosity measurements, and using the coefficients provided the viscosity in a 70:30 NaCl:UCl 3 mixture is 2.29 cP and 2.88 for a 60:40 mixture. Termini et al. recently reported viscosities in the range of 2.75 – 3 cP for the 63:37 NaCl-UCl 3 mixture in the same temperature range using rolling ball viscosity measurements. Computational viscosity of a similar mixture (64:36) can be obtained from the work Andersson et al. using the reported diffusion coefficients, and the hydrodynamic radius from the pair-radial distribution functions (RDFs). Using Eq (1) (vida infra), the viscosity would be 2.50 cP at 1100K. This is not to say that these values are incorrect due to the varying reported values, but aims to highlight the necessity of this work. The data reported in this ongoing work are computations on a 64:36 mixture of NaCl-UCl 3 at 987K. This work is likely to be expanded into varying concentrations of this mixture along with the inclusion of other salt candidate mixtures.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

Symposium MT02: Statistical Mechanics-Based Computational Tools for the Study of Phase Transformation in Complex Materials (Final Report)

Symposium MT02 brought together a diverse and interdisciplinary community of scientists specializing in Statistical Mechanics-based computational modeling to investigate phase transformations in materials exhibiting complex disordered structures. As the demand for materials with extreme performance metrics grows—from aerospace components to next-generation optical fibers—the ability to predict microstructural evolution under non-equilibrium conditions has become paramount. The primary goal of this symposium was to identify, evaluate, and discuss advanced computational tools capable of designing precise manufacturing conditions to tailor material properties efficiently. By fostering a dialogue between computational theorists and experimentalists, the symposium sought to establish new protocols for predicting how processing history—such as cooling rates or strain paths—dictates the final microstructure.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Acoustics of laminar boundary layers breakdown

Boundary layer flow transition has long been suggested as a potential noise source in both marine (sonar-dome self noise) and aeronautical (aircraft cabin noise) applications, owing to the highly transient nature of process. The design of effective noise control strategies relies upon a clear understanding of the source mechanisms associated with the unsteady flow dynamics during transition. Due to formidable mathematical difficulties, theoretical predictions either are limited to early linear and weakly nonlinear stages of transition, or employ acoustic analogy theories based on approximate source field data, often in the form of empirical correlation. In the present work, an approach which combines direct numerical simulation of the source field with the Lighthill acoustic analogy is utilized. This approach takes advantage of the recent advancement in computational capabilities to obtain detailed information about the flow-induced acoustic sources. The transitional boundary layer flow is computed by solving the incompressible Navier-Stokes equations without model assumptions, thus allowing a direct evaluation of the pseudosound as well as source functions, including the Lighthill stress tensor and the wall shear stress. The latter are used for calculating the radiated pressure field based on the Curle-Powell solution of the Lighthill equation. This procedure allows a quantitative assessment of noise source mechanisms and the associated radiation characteristics during transition from primary instability up to the laminar breakdown stage. In particular, one is interested in comparing the roles played by the fluctuating volume Reynolds stress and the wall-shear-stresses, and in identifying specific flow processes and structures that are effective noise generators.

Wang, Meng↗
NASA NTRS1997

Advanced Free Flight Planner and Dispatcher's Workstation: Preliminary Design Specification

The National Aeronautics and Space Administration (NASA) has implemented the Advanced Air Transportation Technology (AATT) program to investigate future improvements to the national and international air traffic management systems. This research, as part of the AATT program, developed preliminary design requirements for an advanced Airline Operations Control (AOC) dispatcher's workstation, with emphasis on flight planning. This design will support the implementation of an experimental workstation in NASA laboratories that would emulate AOC dispatch operations. The work developed an airline flight plan data base and specified requirements for: a computer tool for generation and evaluation of free flight, user preferred trajectories (UPT); the kernel of an advanced flight planning system to be incorporated into the UPT-generation tool; and an AOC workstation to house the UPT-generation tool and to provide a real-time testing environment. A prototype for the advanced flight plan optimization kernel was developed and demonstrated. The flight planner uses dynamic programming to search a four-dimensional wind and temperature grid to identify the optimal route, altitude and speed for successive segments of a flight. An iterative process is employed in which a series of trajectories are successively refined until the LTPT is identified. The flight planner is designed to function in the current operational environment as well as in free flight. The free flight environment would enable greater flexibility in UPT selection based on alleviation of current procedural constraints. The prototype also takes advantage of advanced computer processing capabilities to implement more powerful optimization routines than would be possible with older computer systems.

Wilson, J.↗
NASA NTRS2011

NLSI Focus Group on Missing ALSEP Data Recovery: Progress and Plans

On the six Apollo landed missions, the Astronauts deployed the Apollo Lunar Surface Experiments Package (ALSEP) science stations which measured active and passive seismic events, magnetic fields, charged particles, solar wind, heat flow, the diffuse atmosphere, meteorites and their ejecta, lunar dust, etc. Today's scientists are able to extract new information and make new discoveries from the old ALSEP data utilizing recent advances in computer capabilities and new analysis techniques. However, current-day investigators are encountering problems trying to use the ALSEP data. In 2007 archivists from NASA Goddard Space Flight Center (GSFC) National Space Science Data Center (NSSDC) estimated only about 50 percent of the processed ALSEP lunar surface data-of-interest to current lunar science investigators were in the NSSDC archives. The current-day lunar science investigators found most of the ALSEP data, then in the NSSDC archives. were extremely difficult to use. The data were in forms often not well described in the published reports and rerecording anomalies existed in the data which could only be resolved by tape experts. To resolve this problem, the DPS Lunar Data Node was established in 2008 at NSSDC and is in the process of successfully making the existing archived ALSEP data available to current-day investigators in easily useable forms. In July of 2010 the NASA Lunar Science Institute (NLSI) at Ames Research Center established the Recovery of Missing ALSEP Data Focus Group in recognition of the importance of the current activities to find the raw and processed ALSEP data missing from the NSSDC archives.

Lewis, L. R.↗
NASA NTRS2012

Pros and Cons of ID vs. 3D Modeling

Advances in computing capability have led to tremendous improvements in 3D modeling. Entire active regions are being simulated in what might be described as a first principles way, in which plasma heating is treated self consistently rather than through the specification of heating functions. There are limitations to this approach, however, as actual heating mechanisms on the Sun involve spatial scales orders of magnitude smaller than what these simulations can resolve. Other simulations begin to resolve these scales, but they only treat a tiny volume and do not include the all important coupling with larger scales or with other parts of the atmosphere, and so cannot be readily compared with observations. Finally, ID hydrodynamic models capture the field-aligned evolution of the plasma extremely well and are ideally suited for data comparison, but they treat the heating in a totally ad hoc manner. All of these approaches have important contributions to make, but we must be aware of their limitations. I will highlight some of the strengths. and weaknesses of each.

Klimchuk, James A.↗
NASA NTRS2012

NLSI Focus Group on Recovery of Missing ALSEP Data: Status Update for 2012 NLSI Science Forum

On the six Apollo lunar landed missions, the Astronauts deployed the Apollo Lunar Surface Experiments Package (ALSEP) science stations which measured active and passive seismic events, magnetic fields, charged particles, solar wind, heat flow, the diffuse atmosphere, meteorites and their ejecta, lunar dust, etc. Today s investigators are able to extract new information and make new discoveries from the old ALSEP data utilizing recent advances in computer capabilities and new analysis techniques. However, current-day investigators are encountering problems in trying to use the ALSEP data. The data were in formats often not well described in the published reports and contained rerecording anomalies which required tape experts to resolve. To solve these problems the DPS Lunar Data Node was established at NASA Goddard Space Flight Center (GSFC) NASA Space Science Data Center (NSSDC) in 2008 and is currently in the process of making the existing archived ALSEP data available to current-day investigators in easily useable forms. However, current estimates by NSSDC archivists are that only about 60 percent of the PI processed ALSEP data and less than 30 percent of the raw experiment ALSEP data-of-interest to current lunar science investigators are currently in the NSSDC archives.

Lewis, Lyach R.↗
NASA NTRS2018

Investigating Extreme Events in the NASA GEOS Multiscale Modeling System

Advances in computing capabilities and scientific development have come together to evolve general circulation models into multi-scale Earth system modeling tools. The Goddard Earth Observing System (GEOS) model is one such example of this evolution. The GEOS model is driven by the finite-volume cubed-sphere (FV3) non-hydrostatic dynamical core. Surrounding FV3 is a scale-aware physics package and data assimilation capability permitting multi-scale application of GEOS for sub-seasonal to seasonal climate prediction, medium range weather prediction, and global mesoscale modeling at convection allowing resolutions. GEOS also includes a comprehensive chemistry package representing a range of capabilities from basic chemistry and interactve aerosols and gaseous species, to carbon emissions and uptake, and complex ozone photochemistry. In this study, we apply the GEOS model to study the fidelity of these processes with increasing horizontal resolution and scale-aware processes in GEOS on extreme events. The GEOS model is run for 40-days beginning in August 2016 at three uniform global resolutions of 13-km (c768), 6-km (c1536) and 3-km (c3072) with 72 vertical levels up to 0.01mb. The model physics use the Grell-Freitas scale-aware convection scheme to dynamically reduce the role of parameterized deep convection as resolved scale processes in the model take over at higher resolutions. We will include high-resolution global emissions and fluxes of aerosols and carbon downscaled from recent satellite observations. We will compare these simulations with reanalyses and observations, focusing on rainfall, clouds and radiative forcing at hourly to monthly timescales. We will closely examine the probability distribution of precipitation intensities and radiative properties of clouds on a daily time scale. In addition, we will focus on extreme events, in particular the diurnal cycle of convection over the US and the frequency and physical nature of organized convection and heavy rain events across the globe.

Putman, William↗