Search NASA⌕ Search

SEARCH · Search NASA

Results for “Chemical tools”

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 91 records · Page 5

Software engineering methodologies and tools

Over the years many engineering disciplines have developed, including chemical, electronic, etc. Common to all engineering disciplines is the use of rigor, models, metrics, and predefined methodologies. Recently, a new engineering discipline has appeared on the scene, called software engineering. For over thirty years computer software has been developed and the track record has not been good. Software development projects often miss schedules, are over budget, do not give the user what is wanted, and produce defects. One estimate is there are one to three defects per 1000 lines of deployed code. More and more systems are requiring larger and more complex software for support. As this requirement grows, the software development problems grow exponentially. It is believed that software quality can be improved by applying engineering principles. Another compelling reason to bring the engineering disciplines to software development is productivity. It has been estimated that productivity of producing software has only increased one to two percent a year in the last thirty years. Ironically, the computer and its software have contributed significantly to the industry-wide productivity, but computer professionals have done a poor job of using the computer to do their job. Engineering disciplines and methodologies are now emerging supported by software tools that address the problems of software development. This paper addresses some of the current software engineering methodologies as a backdrop for the general evaluation of computer assisted software engineering (CASE) tools from actual installation of and experimentation with some specific tools.

Wilcox, Lawrence M.↗

Fabrication of X-ray telescopes for sounding rocket flights

Two X-ray telescopes and two detector systems were fabricated, and one of the telescopes (15 in. diameter, Wolter type I telescope) was flown on two sounding rocket flights. The telescopes were fabricated using the diamond point technique which provided the accurate figure of the mirrors to about a focal plane blur of 0.5 arc minutes. The 15 in. telescope mirrors were polished using standard polishing techniques to remove tooling marks from the diamond turning, then chemically polished to bring the X-ray reflectivity up to nearly the theoretical values. The optical image formed by the 15 in. telescope was found to produce a blur of about 40 arc seconds for a parallel beam of incoming laser light. The first flight of the telescope produced an X-ray image of Capella which indicated that the X-ray image was blurred to the extent of about 2 arc minutes. This additional image degradation was due to a slight error in focusing the X-ray image onto the detector.

Source record↗

Chemical Hygiene Program

The Chemical Management Team is responsible for ensuring compliance with the OSHA Laboratory Standard. The program at Lewis Research Center (LeRC) evolved over many years to include training, developing Standard Operating Procedures (SOPS) for each laboratory process, coordinating with other safety and health organizations and teams at the Center, and issuing an SOP binder. The Chemical Hygiene Policy was first established for the Center. The Chemical Hygiene Plan was established and reviewed by technical, laboratory and management for viability and applicability to the Center. A risk assessment was conducted for each laboratory. The laboratories were prioritized by order of risk, higher risk taking priority. A Chemical Management Team staff member interviewed the lead researcher for each laboratory process to gather the information needed to develop the SOP for the process. A binder containing the Chemical Hygiene Plan, the SOP, a map of the laboratory identifying the personal protective equipment and best egress, and glove guides, as well as other guides for safety and health. Each laboratory process has been captured in the form of an SOP. The chemicals used in the procedure have been identified and the information is used to reduce the number of chemicals in the lab. The Chemical Hygiene Plan binder is used as a training tool for new employees. LeRC is in compliance with the OSHA Standard. The program was designed to comply with the OSHA standard. In the process, we have been able to assess the usage of chemicals in the laboratories, as well as reduce or relocate the chemicals being stored in the laboratory. Our researchers are trained on the hazards of the materials they work with and have a better understanding of the hazards of the process and what is needed to prevent any incident. From the SOP process, we have been able to reduce our chemical inventory, determine and implement better hygiene procedures and equipment in the laboratories, and provide specific training to our employees. As a result of this program, we are adding labeling to the laboratories for emergency responders and initiating a certified chemical user program.

Mayor, Antoinette C.↗

Progress Toward an Efficient and General CFD Tool for Propulsion Design/Analysis

The simulation of propulsive flows inherently involves chemical activity. Recent years have seen substantial strides made in the development of numerical schemes for reacting flowfields, in particular those involving finite-rate chemistry. However, finite-rate calculations are computationally intensive and require knowledge of the actual kinetics, which are not always known with sufficient accuracy. Alternatively, flow simulations based on the assumption of local chemical equilibrium are capable of obtaining physically reasonable results at far less computational cost. The present study summarizes the development of efficient numerical techniques for the simulation of flows in local chemical equilibrium, whereby a 'Black Box' chemical equilibrium solver is coupled to the usual gasdynamic equations. The generalization of the methods enables the modelling of any arbitrary mixture of thermally perfect gases, including air, combustion mixtures and plasmas. As demonstration of the potential of the methodologies, several solutions, involving reacting and perfect gas flows, will be presented. Included is a preliminary simulation of the SSME startup transient. Future enhancements to the proposed techniques will be discussed, including more efficient finite-rate and hybrid (partial equilibrium) schemes. The algorithms that have been developed and are being optimized provide for an efficient and general tool for the design and analysis of propulsion systems.

Cox, C. F.↗

Planetary Defense: Options for Deflection of Near Earth Objects

In FY 2002 a team of engineers and scientists at MSFC conducted a preliminary investigation of the options for deflecting a Near Earth Object (NEO) fiom a collision course with the earth. A general discussion of the current threat facing the earth from NEO s is outlined. A suite of tools were developed to model inbound and outbound trajectories, propulsive options, and assessment of threat. Propulsive options considered included; staged chemical, nuclear ablation and deflagration, mass driver and solar sail concepts. Trajectory tools plotted the outbound course to intercept the NE0 and the deflection requirements to cause the inbound NE0 to miss the earth. Threat assessment tools estimated the number of lives saved over a given time frame by deploying a system capable of deflecting an NE0 of a certain size and velocity. All of these tools were integrated into a routine to find the most effective vehicle for a given mission mass and mission time. Discussion of desired future efforts is given. This work was funded under the Revolutionary Aerospace Systems Concepts activity from NASA HQ.

Adams, Robert B.↗

A negative ion model in the lower stratosphere

There are a number of problems in the electricity of the stratosphere at middle latitudes; e.g., the positive relation between the seasonal variations of negative polar conductivity and that of ozone density, the observed dependence of the daytime variation of conductivity on the solar zenith angle, and the interaction between the ions and aerosols, particularly the processes of the conversion from negative ions to the sulfate aerosols; e.g., ion-nucleation and the growth through multi-ion complexes. As a basic tool for investigating these problems, a negative ion chemical model was constructed in the altitude region of 15 to 30 km. Recently, the success of in situ mass analysis of stratospheric ions has revealed the nature of the most abundant ions in the stratosphere. Further, the height variations of negative ion composition between 15 and 34 km were obtained with the balloon-borne mass spectrometer by another researcher. A comparison of the calculated result with the observed result is given.

Kawamoto, H.↗

Numerical prediction of turbulent flame stability in premixed/prevaporized (HSCT) combustors

A numerical analysis of combustion instabilities that induce flashback in a lean, premixed, prevaporized dump combustor is performed. KIVA-II, a finite volume CFD code for the modeling of transient, multidimensional, chemically reactive flows, serves as the principal analytical tool. The experiment of Proctor and T'ien is used as a reference for developing the computational model. An experimentally derived combustion instability mechanism is presented on the basis of the observations of Proctor and T'ien and other investigators of instabilities in low speed (M less than 0.1) dump combustors. The analysis comprises two independent procedures that begin from a calculated stable flame: The first is a linear increase of the equivalence ratio and the second is the linear decrease of the inflow velocity. The objective is to observe changes in the aerothermochemical features of the flow field prior to flashback. It was found that only the linear increase of the equivalence ratio elicits a calculated flashback result. Though this result did not exhibit large scale coherent vortices in the turbulent shear layer coincident with a flame flickering mode as was observed experimentally, there were interesting acoustic effects which were resolved quite well in the calculation. A discussion of the k-e turbulence model used by KIVA-II is prompted by the absence of combustion instabilities in the model as the inflow velocity is linearly decreased. Finally, recommendations are made for further numerical analysis that may improve correlation with experimentally observed combustion instabilities.

Winowich, Nicholas S.↗

Multi-Zone Liquid Thrust Chamber Performance Code with Domain Decomposition for Parallel Processing

Computational Fluid Dynamics (CFD) has considerably evolved in the last decade. There are many computer programs that can perform computations on viscous internal or external flows with chemical reactions. CFD has become a commonly used tool in the design and analysis of gas turbines, ramjet combustors, turbo-machinery, inlet ducts, rocket engines, jet interaction, missile, and ramjet nozzles. One of the problems of interest to NASA has always been the performance prediction for rocket and air-breathing engines. Due to the complexity of flow in these engines it is necessary to resolve the flowfield into a fine mesh to capture quantities like turbulence and heat transfer. However, calculation on a high-resolution grid is associated with a prohibitively increasing computational time that can downgrade the value of the CFD for practical engineering calculations. The Liquid Thrust Chamber Performance (LTCP) code was developed for NASA/MSFC (Marshall Space Flight Center) to perform liquid rocket engine performance calculations. This code is a 2D/axisymmetric full Navier-Stokes (NS) solver with fully coupled finite rate chemistry and Eulerian treatment of liquid fuel and/or oxidizer droplets. One of the advantages of this code has been the resemblance of its input file to the JANNAF (Joint Army Navy NASA Air Force Interagency Propulsion Committee) standard TDK code, and its automatic grid generation for JANNAF defined combustion chamber wall geometry. These options minimize the learning effort for TDK users, and make the code a good candidate for performing engineering calculations. Although the LTCP code was developed for liquid rocket engines, it is a general-purpose code and has been used for solving many engineering problems. However, the single zone formulation of the LTCP has limited the code to be applicable to problems with complex geometry. Furthermore, the computational time becomes prohibitively large for high-resolution problems with chemistry, two-equation turbulence model, and two-phase flow. To overcome these limitations, the LTCP code is rewritten to include the multi-zone capability with domain decomposition that makes it suitable for parallel processing, i.e., enabling the code to run every zone or sub-domain on a separate processor. This can reduce the run time by a factor of 6 to 8, depending on the problem.

Homayun K. Navaz↗

Exoplanet Biosignatures: A Review of Remotely Detectable Signs of Life

In the coming years and decades, advanced space- and ground-based observatories will allow an unprecedented opportunity to probe the atmospheres and surfaces of potentially habitable exoplanets for signatures of life. Life on Earth, through its gaseous products and reflectance and scattering properties, has left its fingerprint on the spectrum of our planet. Aided by the universality of the laws of physics and chemistry, we turn to Earth's biosphere, both in the present and through geologic time, for analog signatures that will aid in the search for life elsewhere. Considering the insights gained from modern and ancient Earth, and the broader array of hypothetical exoplanet possibilities, we have compiled a comprehensive overview of our current understanding of potential exoplanet biosignatures, including gaseous, surface, and temporal biosignatures. We additionally survey biogenic spectral features that are well known in the specialist literature but have not yet been robustly vetted in the context of exoplanet biosignatures. We briefly review advances in assessing biosignature plausibility, including novel methods for determining chemical disequilibrium from remotely obtainable data and assessment tools for determining the minimum biomass required to maintain short-lived biogenic gases as atmospheric signatures. We focus particularly on advances made since the seminal review by Des Marais et al. The purpose of this work is not to propose new biosignature strategies, a goal left to companion articles in this series, but to review the current literature, draw meaningful connections between seemingly disparate areas, and clear the way for a path forward.

biosignatures↗

Predictive Integrated Stratigraphic Modeling Report, Center-wide Per- and Polyfluoroalkyl Substances, Potential Release Location 237, Kennedy Space Center, FL

The National Aeronautics and Space Administration (NASA) is investigating the occurrence of per- and polyfluoroalkyl substances (PFAS) Center-wide at Kennedy Space Center (KSC), Merritt Island, Florida (Figure 1-1) as Potential Release Location 237. AECOM Technical Services, Inc. (AECOM) conducted investigation activities in 2020 and 2021 to develop a better understanding of the fate and transport of PFAS in groundwater and surface water at KSC center-wide using PRedictive Integrated Stratigraphic Modeling (PRISM). PRISM uses best practices from the fields of geology, hydrology, and chemistry to acquire a holistic understanding of the subsurface and more accurately predict contaminant migration pathways. Based on the potential magnitude (frequency and areal distribution) of PFAS impacts at KSC, the analyses described herein were designed to provide tools to address the unique behavior of PFAS chemicals.

PFAS↗

Building and Breaking Carbon Composites with REACTER

Carbon composites have become indispensable for aerospace and other high-performance applications, and a detailed picture of their morphology and failure mechanisms remains difficult to obtain through experiment. REACTER is a versatile computational modeling tool for atomistic molecular dynamics designed to model chemical reactions at the speed and length scales of classical force fields.1 In this work, several recent features of REACTER were applied to the creation and subsequent mechanical testing of two classes of carbon composites, carbon-fiber reinforced polymers (CFRP) and carbon nanotube (CNT) composites. Carbon fiber core morphologies were created by the method of Desai et al.,2 but using the advanced reaction constraints framework of REACTER, their proposed multistep procedure was reduced to a single uninterrupted molecular dynamics simulation. The carbon fiber filler was embedded into a polymer matrix by simulated in situ polymerization of several thermosetting resins, including bismaleimide and polyarylacetylene, to obtain the final CFRP model. To generate the second class of carbon composite, CNT networks were grown dynamically using the new ‘create atoms’ feature of REACTER, and similarly infiltrated with resin to obtain CNT composites. The resulting models were compared directly to experiment using simulated high resolution transmission electron microscopy and x-ray diffraction. Failure mechanisms were elucidated by simulating mechanically induced bond breaking, as characterized by third-order DFT-based tight-binding (DFTB3) simulations, via a reaction constraint on the total potential energy of the involved atoms.

Molecular Dynamics↗

Techniques and Tools of NASA's Space Shuttle Columbia Accident Investigation

The Space Shuttle Columbia accident investigation was a fusion of many disciplines into a single effort. From the recovery and reconstruction of the debris, Figure 1, to the analysis, both destructive and nondestructive, of chemical and metallurgical samples, Figure 2, a multitude of analytical techniques and tools were employed. Destructive and non-destructive testing were utilized in tandem to determine if a breach in the left wing of the Orbiter had occurred, and if so, the path of the resultant high temperature plasma flow. Nondestructive analysis included topometric scanning, laser mapping, and real-time radiography. These techniques were useful in constructing a three dimensional virtual representation of the reconstruction project, specifically the left wing leading edge reinforced carbon/carbon heat protectant panels. Similarly, they were beneficial in determining where sampling should be performed on the debris. Analytic testing included such techniques as Energy Dispersive Electron Microprobe Analysis (EMPA), Electron Spectroscopy Chemical Analysis (ESCA), and X-Ray dot mapping; these techniques related the characteristics of intermetallics deposited on the leading edge of the left wing adjacent to the location of a suspected plasma breach during reentry. The methods and results of the various analyses, along with their implications into the accident, are discussed, along with the findings and recommendations of the Columbia Accident Investigation Board. Likewise, NASA's Return To Flight efforts are highlighted.

McDanels, Steve J.↗

Validation of a Pressure-Based Combustion Simulation Tool Using a Single Element Injector Test Problem

The traditional design and analysis practice for advanced propulsion systems, particularly chemical rocket engines, relies heavily on expensive full-scale prototype development and testing. Over the past decade, use of high-fidelity analysis and design tools such as CFD early in the product development cycle has been identified as one way to alleviate testing costs and to develop these devices better, faster and cheaper. Increased emphasis is being placed on developing and applying CFD models to simulate the flow field environments and performance of advanced propulsion systems. This necessitates the development of next generation computational tools which can be used effectively and reliably in a design environment by non-CFD specialists. A computational tool, called Loci-STREAM is being developed for this purpose. It is a pressure-based, Reynolds-averaged Navier-Stokes (RANS) solver for generalized unstructured grids, which is designed to handle all-speed flows (incompressible to hypersonic) and is particularly suitable for solving multi-species flow in fixed-frame combustion devices. Loci-STREAM integrates proven numerical methods for generalized grids and state-of-the-art physical models in a novel rule-based programming framework called Loci which allows: (a) seamless integration of multidisciplinary physics in a unified manner, and (b) automatic handling of massively parallel computing. The objective of the ongoing work is to develop a robust simulation capability for combustion problems in rocket engines. As an initial step towards validating this capability, a model problem is investigated in the present study which involves a gaseous oxygen/gaseous hydrogen (GO2/GH2) shear coaxial single element injector, for which experimental data are available. The sensitivity of the computed solutions to grid density, grid distribution, different turbulence models, and different near-wall treatments is investigated. A refined grid, which is clustered in the vicinity of the solid walls as well as the flame, is used to obtain a steady state solution which may be considered as the best solution attainable with the steady-state RANS methodology. From a design point of view, quick turnaround times are desirable; with this in mind, coarser grids are also employed and the resulting solutions are evaluated with respect to the fine grid solution.

Thakur, Siddarth↗

Solid Surface Combustion Experiment Yields Significant Observations

The spread of a flame over solid fuel is not only a fundamental textbook combustion phenomenon, but also the central element of destructive fires that cause tragic loss of life and property each year. Throughout history, practical measures to prevent and fight fires have been developed, but these have often been based on lessons learned in a costly fire. Since the 1960 s, scientists and engineers have employed powerful tools of scientific research to understand the details of flame spread and how a material can be rendered nonflammable. High-speed computers have enabled complex flame simulations, whereasand lasers have provided measurements of the chemical composition, temperature, and air velocities inside flames. The microgravity environment has emerged as the third great tool for these studies. Spreading flames are complex combinations of chemical reactions and several physical processes including the transport of oxygen and fuel vapor to the flame and the transfer of heat from the flame to fresh fuel and to the surroundings. Depending on its speed, air motion in the vicinity of the flame can affect the flame in substantially different ways. For example, consider the difference between blowing on a campfire and blowing out a match. On Earth, gravity induces air motion because of buoyancy (the familiar rising hot gases); this process cannot be controlled experimentally. For theoreticians, buoyant air motion complicates the problem modeling of flame spread beyond the capacity of modern computers to simulate. The microgravity environment provides experimental control of air motion near spreading flames, with results that can be compared with detailed theory. The Solid Surface Combustion Experiment (SSCE) was designed to obtain benchmark flame spreading data in quiescent test atmospheres--the limiting case of flames spreading. Professor Robert Altenkirch, Vice President for Research at Mississippi State University, proposed the experiment concept, and the NASA Lewis Research Center designed, built, and tested the SSCE hardware. It was the first microgravity science experiment built by Lewis for the space shuttle and the first combustion science experiment flown in space.

Sacksteder, Kurt R.↗

Uses of Auger and x ray photoelectron spectroscopy in the study of adhesion and friction

Three studies are described characterizing the possible contributions of surface science to tribology. These include surface contamination formed by the interaction of a surface with the environment, contaminants obtained with diffusion of compounds, and surface chemical changes resulting from selective thermal evaporation. Surface analytical tools such as Auger electron spectroscopy (AES) and x ray photoelectron spectroscopy (XPS) incorporated directly into adhesion and friction systems are primarily used to define the nature of tribological surfaces before and after tribological experimentation and to characterize the mechanism of solid-to-solid interaction. Emphasis is on fundamental studies involving the role of surfaces in controlling the adhesion and friction properties of materials emerging as a result of the surface analyses. The materials which were studied include metals and ceramics such as elemental metals, amorphous alloys (metallic glasses), and silicon-based ceramics.

Miyoshi, Kazuhisa↗

Fabrication of nano-gap electrode arrays by the construction and selective chemical etching of nano-crosswire stacks

Methods of fabricating nano-gap electrode structures in array configurations, and the structures so produced. The fabrication method involves depositing first and second pluralities of electrodes comprising nanowires using processes such as lithography, deposition of metals, lift-off processes, and chemical etching that can be performed using conventional processing tools applicable to electronic materials processing. The gap spacing in the nano-gap electrode array is defined by the thickness of a sacrificial spacer layer that is deposited between the first and second pluralities of electrodes. The sacrificial spacer layer is removed by etching, thereby leaving a structure in which the distance between pairs of electrodes is substantially equal to the thickness of the sacrificial spacer layer. Electrode arrays with gaps measured in units of nanometers are produced. In one embodiment, the first and second pluralities of electrodes are aligned in mutually orthogonal orientations.

Son, Kyung-Ah↗

Building and Breaking Carbon Composites with REACTER

Carbon-based composites have become indispensable materials in aerospace and other high-performance applications, yet obtaining a detailed, nanoscale understanding of their morphology and failure mechanisms using only experimental methods remains a difficult challenge. REACTER is a versatile computational modeling tool for atomistic molecular dynamics simulations designed to model chemical reactions at the speed and length scales of classical force fields. In this work, several recent features of REACTER were applied to the creation and subsequent mechanical testing of two classes of carbon composites: carbon nanotube (CNT) composites and carbon fiber reinforced polymers (CFRP). A network of CNTs was grown dynamically using the new ‘create atoms’ feature of REACTER. The CNT filler was embedded into a polyarylacetylene (PAA) matrix by simulated in situ polymerization to obtain the final composite model. To generate the second class of carbon composite, fully carbonized (graphitic) carbon fiber morphologies were created by the method of Desai et al. [1], but using the advanced reaction constraints framework of REACTER. Two fiber models were created, representing a circular carbon fiber core and a flat surface, and similarly infiltrated with resin to obtain the final CFRP structure. Failure mechanisms were elucidated by simulating mechanically induced bond breaking, as characterized by third order DFT-based tight-binding simulations, via a reaction constraint on the total potential energy of the involved atoms.

Polymer↗

A NASA Airborne Lens Into Air Quality Field Studies of the Last Decade

Field studies add an enhanced perspective to our everyday observing system for air quality with the goals of better understanding the air we breathe and identifying solutions toward a healthier future. Over the last decade, over 10 air quality field studies were conducted around the US with other ranging internationally with support through large agency-led efforts down to the grass-roots collaborative style. This presentation will highlight how NASA airborne observations have fit as one piece of the integrated observing system for air quality during these field studies. Research topics to be discussed are centered around the idea of the transition to geostationary air quality satellite observations. Specific topics include how temporally and spatially resolved measurements help us learn about knowledge gaps in NOx emissions, satellite-proxies for surface air quality, as well as evaluating state-of-the-art chemical transport models and using the enhanced observations as tools for understand what models/satellites can and cannot resolve. Each research topic will aim to discuss how the field measurement strategies that made this work possible as well as specific challenges that still exist to take these results further. Lastly, this presentation will discuss strategies to be carried forward as well as new ones as a peek into future air quality airborne field work.

Laura Judd↗