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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Magnetic Flux Compression Using Detonation Plasma Armatures and Superconductor Stators: Integrated Propulsion and Power Applications

This presentation discusses the use of magnetic flux compression for space flight applications as a propulsion and other power applications. The qualities of this technology that make it suitable for spaceflight propulsion and power, are that it has high power density, it can give multimegawatt energy bursts, and terawatt power bursts, it can produce the pulse power for low impedance dense plasma devices (e.g., pulse fusion drivers), and it can produce direct thrust. The issues of a metal vs plasma armature are discussed, and the requirements for high energy output, and fast pulse rise time requires a high speed armature. The plasma armature enables repetitive firing capabilities. The issues concerning the high temperature superconductor stator are also discussed. The concept of the radial mode pulse power generator is described. The proposed research strategy combines the use of computational modeling (i.e., magnetohydrodynamic computations, and finite element modeling) and laboratory experiments to create a demonstration device.

Litchford, Ron↗
DOE OSTI2021

Methods and devices for preventing computationally explosive calculations in a computer for model parameters distributed on a hierarchy of geometric simplices

A computer-implemented method of preventing computationally explosive calculations. The method includes obtaining, by a processor of the computer, measured data of one of a physical process or a physical object; performing hierarchical numerical modeling of a physical process inclusive of an Earth model containing at least one of (a) infrastructure in the ground and (b) a formation feature in the ground, wherein predicted data is generated; comparing the measured data to the predicted data to calculate an estimated error; analyzing the estimated error via an inversion process to update the at least one of the Earth model and infrastructure model so as to reduce the estimated error and to determine a final composite Earth model of at least one of the infrastructure and the feature; and using the final composite Earth model to characterize at least one of the process and the physical object.

Source record↗
DOE OSTI2019

A Kriging Surrogate Model for Computing Gas Mixture Equations of State

Accurate simulation of the complex flow following the detonation of an explosive material is a challenging problem. In these flows, the detonation products of the explosive must be treated as a real gas while the surrounding air is treated as an ideal gas. As the detonation process unfolds and the blast wave moves into the surrounding ambient air, the products of detonation expand outward and interact with the air creating a mixture region. In this region, both of the state equations for air and the products must be satisfied. One of the most accurate, yet computationally expensive, methods to handle this problem is an algorithm that iterates between the equations of state until both pressure and temperature reach an equilibrium inside of a computational cell. Since this mixture region moves and grows over time, this algorithm must be performed millions, or even billions, of times in a typical detonation simulation. As such, these calculations can account for a large percentage of the overall solution time. This work aims to use a kriging surrogate model to replace this process. The iterative method solves a nonlinear system of equations created from the gas mixture density, internal energy, and composition using a Broyden iterative solver to obtain an output pressure and temperature. Kriging is used to produce curve fits which interpolate selected pressures and temperatures from this solver from appropriate ranges of the mixture input quantities. Using a finite volume hydrocode, the performance of the model with respect to the iterative solver is demonstrated in the simulation of a pentaerythritol tetranitrate (PETN) charge detonation. The model's computational speed and accuracy are quantified as a function of the choice of sampling points in order to try optimize the combination as well as to show the benefits of this novel approach.

Engineering↗
NASA NTRS1990

A computational efficient modelling of laminar separation bubbles

In predicting the aerodynamic characteristics of airfoils operating at low Reynolds numbers, it is often important to account for the effects of laminar (transitional) separation bubbles. Previous approaches to the modelling of this viscous phenomenon range from fast but sometimes unreliable empirical correlations for the length of the bubble and the associated increase in momentum thickness, to more accurate but significantly slower displacement-thickness iteration methods employing inverse boundary-layer formulations in the separated regions. Since the penalty in computational time associated with the more general methods is unacceptable for airfoil design applications, use of an accurate yet computationally efficient model is highly desirable. To this end, a semi-empirical bubble model was developed and incorporated into the Eppler and Somers airfoil design and analysis program. The generality and the efficiency was achieved by successfully approximating the local viscous/inviscid interaction, the transition location, and the turbulent reattachment process within the framework of an integral boundary-layer method. Comparisons of the predicted aerodynamic characteristics with experimental measurements for several airfoils show excellent and consistent agreement for Reynolds numbers from 2,000,000 down to 100,000.

Dini, Paolo↗
NASA NTRS2009

Measurement of Satellite Impact Test Fragments for Modeling Orbital Debris

There are over 13,000 pieces of catalogued objects 10cm and larger in orbit around Earth [ODQN, January 2009, p12]. More than 6000 of these objects are fragments from explosions and collisions. As the earth-orbiting object count increases, debris-generating collisions in the future become a statistical inevitability. To aid in understanding this collision risk, the NASA Orbital Debris Program Office has developed computer models that calculate quantity and orbits of debris both currently in orbit and in future epochs. In order to create a reasonable computer model of the orbital debris environment, it is important to understand the mechanics of creation of debris as a result of a collision. The measurement of the physical characteristics of debris resulting from ground-based, hypervelocity impact testing aids in understanding the sizes and shapes of debris produced from potential impacts in orbit. To advance the accuracy of fragment shape/size determination, the NASA Orbital Debris Program Office recently implemented a computerized measurement system. The goal of this system is to improve knowledge and understanding of the relation between commonly used dimensions and overall shape. The technique developed involves scanning a single fragment with a hand-held laser device, measuring its size properties using a sophisticated software tool, and creating a three-dimensional computer model to demonstrate how the object might appear in orbit. This information is used to aid optical techniques in shape determination. This more automated and repeatable method provides higher accuracy in the size and shape determination of debris.

Hill, Nicole M.↗
DOE OSTI2023

RCSB Protein Data Bank: visualizing groups of experimentally determined PDB structures alongside computed structure models of proteins

Recent advances in Artificial Intelligence and Machine Learning (e.g., AlphaFold, RosettaFold, and ESMFold) enable prediction of three-dimensional (3D) protein structures from amino acid sequences alone at accuracies comparable to lower-resolution experimental methods. These tools have been employed to predict structures across entire proteomes and the results of large-scale metagenomic sequence studies, yielding an exponential increase in available biomolecular 3D structural information. Given the enormous volume of this newly computed biostructure data, there is an urgent need for robust tools to manage, search, cluster, and visualize large collections of structures. Equally important is the capability to efficiently summarize and visualize metadata, biological/biochemical annotations, and structural features, particularly when working with vast numbers of protein structures of both experimental origin from the Protein Data Bank (PDB) and computationally-predicted models. Moreover, researchers require advanced visualization techniques that support interactive exploration of multiple sequences and structural alignments. This paper introduces a suite of tools provided on the RCSB PDB research-focused web portal RCSB. org, tailor-made for efficient management, search, organization, and visualization of this burgeoning corpus of 3D macromolecular structure data.

3D visualization↗
DOE OSTI2021

HIBP Applications to Advance Understanding of Plasma Transport Physics (2011-2017) (and subsequently titled) Development of Beam Measurements to Advance Understanding of Transients and Improve Validation (2017-2020) (Final Technical Report)

This is the Final Technical Report for the DoE Measurement Innovation (previously Diagnostic Development) grant DE-SC0006077 titled HIBP Applications to Advance Understanding of Plasma Transport Physics (2011-2017), and subsequently titled Development of Beam Measurements to Advance Understanding of Transients and Improve Validation (2017-2020). The grant was funded by the Office of Fusion Energy Sciences (FES) for the period 1 May 2011–17 July 2020. Work performed through the grant has resulted in diagnostic innovations and new measurement capabilities that will improve understanding of transport, magnetic equilibrium, and electric fields in magnetically confined plasmas. We have developed novel hardware and advanced techniques to expand beam-based diagnostic capabilities, and extend measurements to new operating regimes. Some have been realized using a Heavy Ion Beam Probe (HIBP) having traditional features, while other applications have joined our innovations with subsets of advantageous HIBP features. This work has established smaller, more economical detection systems and, in doing so, may enable substantial extension of scenarios in which beam-based diagnostics are deployed. Key Measurement Innovations include: Computer Models and Simulations of HIBP Applications-Computer modeling and simulating of HIBP applications is central to predicting interaction of beam particles with plasmas, designing diagnostic systems, and anticipating measurement characteristics. We have extended the capability and improved measurement fidelity of the HIBP diagnostic on the Madison Symmetric Torus (MST) reversed field pinch (RFP); simulated feasibility of HIBP operation in the Helically Symmetric eXperiment (HSX) optimized stellarator; and investigated the plausibility of HIBP measurements in the ASDEX Upgrade tokamak. We have also developed a new technique that uses ion optics to model a finite phase-space beam. It yields more realistic (than traditional method) estimates of sample volume characteristics, which influence measurement resolution and sensitivity. Extension of Diagnostic Capabilities and Measurements on the MST RFP-Capabilities have been extended using the first and only HIBP installation on an RFP. Challenges associated with operation of the diagnostic on MST include the three-dimensional nature of particle trajectories, temporal topology and amplitude changes in the plasma equilibrium, and strong particle and radiative emission from the plasma. We have addressed these challenges through development of detailed and higher precision diagnostic simulations, calibrated subtraction of noise to resolve secondary ion signals, and implementation of hardware that enables higher fidelity measurement of plasma fluctuations. Development of New Hardware and Measurement Techniques - We have advanced beam-based measurement capabilities via development of new detectors and techniques to determine the poloidal magnetic flux ψ in the plasma, and enable placement of detectors close to the plasma and thus allow a smaller and less expensive diagnostic. We have demonstrated measurement of ψ, an ability that was made possible by development of highly effective noise reduction techniques. We also modeled the effect of non-ideal and instrumentation effects by developing a virtual (simulated) diagnostic. Application of beam-based diagnostics on various devices and multiple magnetic configurations (e.g. stellarator, tokamak, and reversed field pinch) enables investigation of critical physics issues and measurements resulting in the broad parameter space data needed to test and validate theory & modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1993

Modeling and computation of turbulent free-surface jets

A 2D numerical model for a turbulent surface jet issuing into a finite-depth channel is presented. The model uses an unstructured, finite element procedure. The calculations confirm the experimental observation that scale similarity may be apparent in the mean velocity profile even in the presence of a large encroaching recirculation cell.

Miner, E. W.↗
DOE OSTI2022

System, method, and computer program for creating an internal conforming structure

A system for creating an internal formation of a tubular structure having an inner surface via additive manufacturing. The system broadly includes a computer modeling system and an additive manufacturing system. The computer modeling system may include a processor for generating a lattice cellular component via computer-aided design software according to inputs received from a user. The processor may also generate an internal formation lattice structure based on the lattice cellular component and modify the lattice structure to follow and/or conform to the curvature of the inner surface of the outer wall of the tubular structure. The additive manufacturing system may be configured to produce the lattice structure and the tubular structure via additive manufacturing material deposited layer by layer according to the lattice structure.

42 ENGINEERING↗
DOE OSTI2024

Updated resources for exploring experimentally-determined PDB structures and Computed Structure Models at the RCSB Protein Data Bank

The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB, RCSB.org), the US Worldwide Protein Data Bank (wwPDB, wwPDB.org) data center for the global PDB archive, provides access to the PDB data via its RCSB.org research-focused web portal. We report substantial additions to the tools and visualization features available at RCSB.org, which now delivers more than 227000 experimentally determined atomic-level three-dimensional (3D) biostructures stored in the global PDB archive alongside more than 1 million Computed Structure Models (CSMs) of proteins (including models for human, model organisms, select human pathogens, crop plants and organisms important for addressing climate change). In addition to providing support for 3D structure motif searches with user-provided coordinates, new features highlighted herein include query results organized by redundancy-reduced Groups and summary pages that facilitate exploration of groups of similar proteins. Newly released programmatic tools are also described, as are enhanced training opportunities.

Burley, Stephen K.↗
NASA NTRS2015

Calibration of Predictor Models Using Multiple Validation Experiments

This paper presents a framework for calibrating computational models using data from several and possibly dissimilar validation experiments. The offset between model predictions and observations, which might be caused by measurement noise, model-form uncertainty, and numerical error, drives the process by which uncertainty in the models parameters is characterized. The resulting description of uncertainty along with the computational model constitute a predictor model. Two types of predictor models are studied: Interval Predictor Models (IPMs) and Random Predictor Models (RPMs). IPMs use sets to characterize uncertainty, whereas RPMs use random vectors. The propagation of a set through a model makes the response an interval valued function of the state, whereas the propagation of a random vector yields a random process. Optimization-based strategies for calculating both types of predictor models are proposed. Whereas the formulations used to calculate IPMs target solutions leading to the interval value function of minimal spread containing all observations, those for RPMs seek to maximize the models' ability to reproduce the distribution of observations. Regarding RPMs, we choose a structure for the random vector (i.e., the assignment of probability to points in the parameter space) solely dependent on the prediction error. As such, the probabilistic description of uncertainty is not a subjective assignment of belief, nor is it expected to asymptotically converge to a fixed value, but instead it casts the model's ability to reproduce the experimental data. This framework enables evaluating the spread and distribution of the predicted response of target applications depending on the same parameters beyond the validation domain.

Crespo, Luis G.↗
NASA NTRS2013

Numerical Prediction of Dust

Covers the whole breadth of mineral dust research, from a scientific perspective Presents interdisciplinary work including results from field campaigns, satellite observations, laboratory studies, computer modelling and theoretical studies Explores the role of dust as a player and recorder of environmental change This volume presents state-of-the-art research about mineral dust, including results from field campaigns, satellite observations, laboratory studies, computer modelling and theoretical studies. Dust research is a new, dynamic and fast-growing area of science and due to its multiple roles in the Earth system, dust has become a fascinating topic for many scientific disciplines. Aspects of dust research covered in this book reach from timescales of minutes (as with dust devils, cloud processes, and radiation) to millennia (as with loess formation and oceanic sediments), making dust both a player and recorder of environmental change. The book is structured in four main parts that explore characteristics of dust, the global dust cycle, impacts of dust on the Earth system, and dust as a climate indicator. The chapters in these parts provide a comprehensive, detailed overview of this highly interdisciplinary subject. The contributions presented here cover dust from source to sink and describe all the processes dust particles undergo while travelling through the atmosphere. Chapters explore how dust is lifted and transported, how it affects radiation, clouds, regional circulations, precipitation and chemical processes in the atmosphere, and how it deteriorates air quality. The book explores how dust is removed from the atmosphere by gravitational settling, turbulence or precipitation, how iron contained in dust fertilizes terrestrial and marine ecosystems, and about the role that dust plays in human health. We learn how dust is observed, simulated using computer models and forecast. The book also details the role of dust deposits for climate reconstructions. Scientific observations and results are presented, along with numerous illustrations. This work has an interdisciplinary appeal and will engage scholars in geology, geography, chemistry, meteorology and physics, amongst others with an interest in the Earth system and environmental change.

dust↗
NASA NTRS2005

Automated Rapid Prototyping of 3D Ceramic Parts

An automated system of manufacturing equipment produces three-dimensional (3D) ceramic parts specified by computational models of the parts. The system implements an advanced, automated version of a generic rapid-prototyping process in which the fabrication of an object having a possibly complex 3D shape includes stacking of thin sheets, the outlines of which closely approximate the horizontal cross sections of the object at their respective heights. In this process, the thin sheets are made of a ceramic precursor material, and the stack is subsequently heated to transform it into a unitary ceramic object. In addition to the computer used to generate the computational model of the part to be fabricated, the equipment used in this process includes: 1) A commercially available laminated-object-manufacturing machine that was originally designed for building woodlike 3D objects from paper and was modified to accept sheets of ceramic precursor material, and 2) A machine designed specifically to feed single sheets of ceramic precursor material to the laminated-object-manufacturing machine. Like other rapid-prototyping processes that utilize stacking of thin sheets, this process begins with generation of the computational model of the part to be fabricated, followed by computational sectioning of the part into layers of predetermined thickness that collectively define the shape of the part. Information about each layer is transmitted to rapid-prototyping equipment, where the part is built layer by layer. What distinguishes this process from other rapid-prototyping processes that utilize stacking of thin sheets are the details of the machines and the actions that they perform. In this process, flexible sheets of ceramic precursor material (called "green" ceramic sheets) suitable for lamination are produced by tape casting. The binder used in the tape casting is specially formulated to enable lamination of layers with little or no applied heat or pressure. The tape is cut into individual sheets, which are stacked in the sheet-feeding machine until used. The sheet-feeding machine can hold enough sheets for about 8 hours of continuous operation.

McMillin, Scott G.↗
DOE OSTI2015

Computational strategy for quantifying human pesticide exposure based upon a saliva measurement

The National Research Council of the National Academies report, Toxicity Testing in the 21st Century: A Vision and Strategy, highlighted the importance of quantitative exposure data for evaluating human toxicity risk and noted that biomonitoring is a critical tool for quantitatively evaluating exposure from both environmental and occupational settings. Direct measurement of chemical exposures using personal monitoring provides the most accurate estimation of a subject’s true exposure, and non-invasive methods have also been advocated for quantifying the pharmacokinetics and bioavailability of drugs and xenobiotics. In this regard, there is a need to identify chemicals that are readily cleared in saliva at concentrations that can be quantified to support the implementation of this approach.. The current manuscript describes the use of computational modeling approaches that are closely coupled to in vivo and in vitro experiments to predict salivary uptake and clearance of xenobiotics. The primary mechanism by which xenobiotics leave the blood and enter saliva is thought to involve paracellular transport, passive transcellular diffusion, or trancellular active transport with the majority of drugs and xenobiotics cleared from plasma into saliva by passive diffusion. The transcellular or paracellular diffusion of unbound chemicals in plasma to saliva has been computational modeled using a combination of compartmental and physiologically based approaches. Of key importance for determining the plasma:saliva partitioning was the utilization of a modified Schmitt algorithm that calculates partitioning based upon the tissue composition, pH, chemical pKa and plasma protein-binding. Sensitivity analysis of key model parameters specifically identified that both protein-binding and pKa (for weak acids and bases) had the most significant impact on the determination of partitioning and that there were clear species dependent differences based upon physiological variance between rats and humans. Ongoing efforts are focused on extending this modeling strategy to an in vitro salivary acinar cell based system that will be utilized to experimentally determine and computationally predict salivary gland uptake and clearance for a broad range of xenobiotics. Hence, it is envisioned that a combination of salivary biomonitoring and computational modeling will enable the non-invasive measurement of both environmental and occupational exposure in human populations using saliva.

compuational strategy↗
NASA NTRS2001

The Development of Surface Roughness and Implications for Cellular Attachment in Biomedical Applications

The application of a microscopic surface texture produced by ion beam sputter texturing to the surfaces of polymer implants has been shown to result in significant increases in cellular attachment compared to smooth surface implants in animal studies. A collaborative program between NASA Glenn Research Center and the Cleveland Clinic Foundation has been established to evaluate the potential for improving osteoblast attachment to surfaces that have been microscopically roughened by atomic oxygen texturing. The range of surface textures that are feasible depends upon both the texturing process and the duration of treatment. To determine whether surface texture saturates or continues to increase with treatment duration, an effort was conducted to examine the development of surface textures produced by various physical and chemical erosion processes. Both experimental tests and computational modeling were performed to explore the growth of surface texture with treatment time. Surface texturing by means of abrasive grit blasting of glass, stainless steel, and polymethylmethacry I ate surfaces was examined to measure the growth in roughness with grit blasting duration by surface profilometry measurements. Laboratory tests and computational modeling was also conducted to examine the development of texture on Aclar(R) (chlorotfifluoroethylene) and Kapton(R) polyimide, respectively. For the atomic oxygen texturing tests of Aclar(R), atomic force microscopy was used to measure the development of texture with atomic oxygen fluence. The results of all the testing and computational modeling support the premise that development of surface roughness obeys Poisson statistics. The results indicate that surface roughness does not saturate but increases as the square root of the treatment time.

Banks, Bruce↗
DOE OSTI2017

Model dynamics for quantum computing

A model master equation suitable for quantum computing dynamics is presented. In an ideal quantum computer (QC), a system of qubits evolves in time unitarily and, by virtue of their entanglement, interfere quantum mechanically to solve otherwise intractable problems. In the real situation, a QC is subject to decoherence and attenuation effects due to interaction with an environment and with possible short-term random disturbances and gate deficiencies. The stability of a QC under such attacks is a key issue for the development of realistic devices. We assume that the influence of the environment can be incorporated by a master equation that includes unitary evolution with gates, supplemented by a Lindblad term. Lindblad operators of various types are explored; namely, steady, pulsed, gate friction, and measurement operators. In the master equation, we use the Lindblad term to describe short time intrusions by random Lindblad pulses. The phenomenological master equation is then extended to include a nonlinear Beretta term that describes the evolution of a closed system with increasing entropy. An external Bath environment is stipulated by a fixed temperature in two different ways. Here we explore the case of a simple one-qubit system in preparation for generalization to multi-qubit, qutrit and hybrid qubit–qutrit systems. This model master equation can be used to test the stability of memory and the efficacy of quantum gates. The properties of such hybrid master equations are explored, with emphasis on the role of thermal equilibrium and entropy constraints. Several significant properties of time-dependent qubit evolution are revealed by this simple study. - Highlights: • General realistic density matrix evolution model shown for one qubit. • Unitary pulses & bias yield quantum gates without harmful phase accumulations. • Gate friction, dissipation included by random Lindblad noise pulses. • Bath & entropy terms yield equilibrium; test algorithms, gates act on Larmor grid. • Measurement modeled by strong, fast Lindblad pulses.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

RCSB Protein Data Bank (RCSB.org): delivery of experimentally-determined PDB structures alongside one million computed structure models of proteins from artificial intelligence/machine learning

Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB), founding member of the Worldwide Protein Data Bank (wwPDB), is the US data center for the open-access PDB archive. As wwPDB-designated Archive Keeper, RCSB PDB is also responsible for PDB data security. Annually, RCSB PDB serves >10 000 depositors of three-dimensional (3D) biostructures working on all permanently inhabited continents. RCSB PDB delivers data from its research-focused RCSB.org web portal to many millions of PDB data consumers based in virtually every United Nations-recognized country, territory, etc. This Database Issue contribution describes upgrades to the research-focused RCSB.org web portal that created a one-stop-shop for open access to ∼200 000 experimentally-determined PDB structures of biological macromolecules alongside >1 000 000 incorporated Computed Structure Models (CSMs) predicted using artificial intelligence/machine learning methods. RCSB.org is a ‘living data resource.’ Every PDB structure and CSM is integrated weekly with related functional annotations from external biodata resources, providing up-to-date information for the entire corpus of 3D biostructure data freely available from RCSB.org with no usage limitations. Within RCSB.org, PDB structures and the CSMs are clearly identified as to their provenance and reliability. Both are fully searchable, and can be analyzed and visualized using the full complement of RCSB.org web portal capabilities.

59 BASIC BIOLOGICAL SCIENCES↗