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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Developing Reaction Chemistry Models from Reactive Molecular Dynamics: TATB

Reactive Molecular Dynamic (RMD) are used to simulate the cook-off chemistry of TATB at a variety of fixed density and fixed temperature conditions. The chemical transformations are monitored using a Coordination Geometry Analysis (CGA) approach which tracks which atom types are bonded to each specific atom. This particularly identifies oxidation state changes that occur during the transformations. Correlations between these different chemical changes are identified using a Non-negative Matrix Factorization (NMF) approach. These identify reduced order chemistry models for the TATB system which contains six components whose concentration profiles are a function of both the temperature and density/pressure. The time histories of these transformations appear to show exponential growth/decay properties that could be fit with Arrhenius rates. These components should form the basis of deflagration rate models for these materials which could then be used in mesoscale simulations to analyze accidental initiation, shock-to-detonation and detonation propagation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

High-silica /greater than 60%/ lunar glasses in an Apollo 14 soil sample - Evidence for silicic lunar volcanism

The major-element compositions of 93 low-specific-gravity (less than 2.60) high-silica (greater than 60%) glass particles from a sample of lunar fines (14259,20) were determined by electron microprobe analyses. The size, shape, abundance, mineralogy, and major-element composition of more than 60% of the high-silica glasses is consistent with their being fragments of interstitial glass from mare basalts. However, one group of 30 glasses with between 72% and 78% SiO2 and an average of approximately 2.6% FeO can be distinguished from other high-silica glasses both chemically and petrographically. Glass particles with this composition do not contain crystalline inclusions and are fairly homogeneous not only within a single particle but also from particle to particle. The chemistry and petrology of these glasses suggest that they are not fragments of interstitial glass or shock-melted particles from a 'granitic' source rock. Rather, the homogeneity and lack of crystalline inclusions suggest that this group of high-silica glasses was the product of lunar acidic volcanism.

Glass, B. P.↗
NASA NTRS1997

Destruction of Interstellar Dust

Interstellar dust is an important component of the interstellar medium. Dust grains are the dominant opacity source and thus regulate the radiative transfer in the interstellar medium. Besides the spectral characteristics of sources, dust therefore influences directly the molecular composition of clouds through photodissociation and the heating of the gas through the photoelectric effect. Furthermore, dust grains also provide surfaces for active chemistry. This paper will review the destruction of interstellar dust with an emphasis on processing by interstellar shocks. Interstellar dust is affected by a variety of processes. Stars in the late stages of their evolution form dust grains by chemical nucleation and growth and injected them into the ISM. Grains in the ISM are processed by strong shock waves which sputter, vaporize, diamondize, and shatter them. The physics of interstellar shock waves and of these destruction processes will be reviewed. The ISM is organized in a number of phases: HI and molecular clouds, warm (neutral/ionized) intercloud medium, and coroner gas. Dust destruction is dominated by supernova shock waves in the intercloud medium. Because of rapid exchange of dust and gas between the phases, the effects of this are felt through all phases. This will be briefly discussed.

Tielens, A. G. G. M.↗
NASA NTRS2011

Discovery of Brownleeite: a New Manganese Silicide Mineral in an Interplanetary Dust Particle

The Earth accretes approximately 40,000 tons of cosmic dust annually, originating mainly from the disintegration of comets and collisions among asteroids. This cosmic dust, also known as interplanetary dust particles (IDPs), is a subject of intense interest since it is made of the original building blocks of our Solar System. Although the specific parent bodies of IDPs are unknown, the anhydrous chondritic-porous IDPs (CP-IDPs) subset has been potentially linked to a cometary source. The CP-IDPs are extremely primitive materials based on their unequilibrated mineralogy, C-rich chemistry, and anomalous isotopic signatures. In particular, some CP-IDPs escaped the thermal, aqueous and impact shock processing that has modified or destroyed the original mineralogy of meteorites. Thus, the CP-IDPs represent some of the most primitive solar system materials available for laboratory study. Most CP-IDPs are comprised of minerals that are common on Earth. However, in the course of an examination of one of the CP-IDPs, we encountered three sub-micrometer sized grains of manganese silicide (MnSi), a phase that has heretofore not been found in nature. In the seminar, we would like to focus on IDP studies and this manganese silicide phase that has been approved as the first new mineral identified from a comet by the International Mineralogical Association (IMA) in 2008. The mineral is named in honour of Donald E. Brownlee, an American astronomer and a founder of the field of cosmic dust research who is the principal investigator of the NASA Stardust Mission that collected dust samples from Comet 81P/Wild-2 and returned them to Earth. Much of our current view and understanding of the early solar system would not exist without the pioneering work of professor Don Brownlee in the study of IDPs.

Keller, Lindsay P.↗
NASA NTRS2013

Dust Production and Mass Loss in Cool Evolved Stars

Following the red giant branch phase and the subsequent core He-burning phase, the low- to intermediate-mass stars (0.8<M/M solar mass <8) begin to ascend the asymptotic giant branch (AGB). Pulsations levitate material from the stellar surface and provide density enhancements and shocks, which can encourage dust formation and re-processing. The dust composition depends on the atmospheric chemistry (abundance of carbon relative to oxygen), which is altered by dredging up newly formed carbon to the surface of the star. I will briefly review the current status of models that include AGB mass loss and relate them to recent observations of AGB stars from the Surveying the Agents of Galaxy Evolution (SAGE) Spitzer surveys of the Small and Large Magellanic Clouds, including measures of the total dust input to the interstellar medium from AGB stars.

Boyer, M. L.↗
NASA NTRS1995

Computational study of inlet injection for a Pre-Mixed, Shock-Induced Combustion (PM/SIC) engine

A computational simulation of reacting 2-D and 3-D flowfields in a model inlet section of a Pre-Mixed, Shock-Induced Combustion (PM/SIC) engine concept was performed. LARCK, a multi-dimensional Navier-Stokes code with finite-rate kinetics chemistry developed at NASA LaRC by J.A. White, was adapted for this simulation. The flow conditions in the simulation match those envisioned for the PM/SIC engine experiments currently planned at LaRC. The reacting flowfields were Mach 6.3 freestream air and Mach 2 hydrogen at various pressure and temperature conditions injected through a slot injector at the base of the inlet section. In the PM/SIC engine, fuel is injected at the inlet section upstream of the combustor, and reaction is initiated by the shock wave at the inlet which increases the gas temperature and pressure beyond the kinetic limits for reaction. Many challenges exist prior to establishing shock-controlled combustion as a practical engine concept. These challenges include fuel injection schemes that can provide proper fuel-air mixing without creating large losses in the inlet section, and control of the combustion process so that early ignition or combustion propagation through the inlet boundary layer does not occur. For this project, a parametrics study was carried out to model the fuel injection of hydrogen at different flow conditions. It was found that, as the fuel temperature and pressure were increased, the potential for pre-ignition was high at a short distance downstream of the slot injector. The next stage of this work will investigate injection techniques for enhancing mixing of fuel and air in a manner that prevents or reduces the potential for premature ignition observed numerically.

Gonzalez, D. E.↗
NASA NTRS1985

CAG12 - A CSCM based procedure for flow of an equilibrium chemically reacting gas

The Conservative Supra Characteristic Method (CSCM), an implicit upwind Navier-Stokes algorithm, is extended to the numerical simulation of flows in chemical equilibrium. The resulting computer code known as Chemistry and Gasdynamics Implicit - Version 2 (CAG12) is described. First-order accurate results are presented for inviscid and viscous Mach 20 flows of air past a hemisphere-cylinder. The solution procedure captures the bow shock in a chemically reacting gas, a technique that is needed for simulating high altitude, rarefied flows. In an initial effort to validate the code, the inviscid results are compared with published gasdynamic and chemistry solutions and satisfactorily agreement is obtained.

Green, M. J.↗
NASA NTRS1978

Manicouagan impact melt, Quebec. I - Stratigraphy, petrology, and chemistry

A sheet of clast-laden impact melt 230 m thick and 55 km in diameter forms an annular plateau surrounding an uplift of shocked anorthosite within the moderately eroded Manicouagan structure. Three gradational units of the melt sheet are characterized with respect to grain size, inclusions, texture, and mineralogy. The melt rocks as a group are chemically homogeneous with a bulk composition similar to that of latite and with no statistically significant regional chemical variations. The melt is not completely chemically homogeneous as a local mafic variant represented by two samples with poikilitic texture was found. These poikilitic rocks texturally resemble some Apollo 17 impact melt rocks and are inferred to have had a similar origin and thermal history.

Floran, R. J.↗
NASA NTRS1995

Observations of chemical processing in the circumstellar environment

High resolution interferometer and single-dish observations of young, deeply embedded stellar systems reveal a complex chemistry in the circumstellar environments of low to intermediate mass stars. Depletions of gas-phase molecules, grain mantle evaporation, and shock interactions actively drive chemical processes in different regions around young stars. We present results for two systems, IRAS 05338-0624 and NCG 1333 IRAS 4, to illustrate the behavior found and to examine the physical processes at work.

NASA Program Exobiology↗
DOE OSTI2023

Shock state distributions in porous tantalum and characterization with multipoint velocimetry

Heterogenous materials under shock compression can be expected to reach different shock states throughout the material according to local differences in microstructure and the history of wave propagation. Here, in this work, a compact, multiple-beam focusing optic assembly is used with high-speed velocimetry to interrogate the shock response of porous tantalum films prepared through thermal-spray deposition. The distribution of particle velocities across a shocked interface is compared to results obtained using a set of defocused interferometric beams that sampled the shock response over larger areas. The two methods produced velocity distributions along the shock plateau with the same mean, while a larger variance was measured with narrower beams. The finding was replicated using three-dimensional, mesoscopically resolved hydrodynamics simulations of solid tantalum with a pore structure mimicking statistical attributes of the material and accounting for radial divergence of the beams, with agreement across several impact velocities. Accounting for pore morphology in the simulations was found to be necessary for replicating the rise time of the shock plateau. The validated simulations were then used to show that while the average velocity along the shock plateau could be determined accurately with only a few interferometric beams, accurately determining the width of the velocity distribution, which here was approximately Gaussian, required a beam dimension much smaller than the spatial correlation lengthscale of the velocity field, here by a factor of ∼30×, with implications for the study of other porous materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Nitrogen and noble gases in a glass sample from LEW88516

The Antarctic meteorite LEW88516 has been classified as a member of the SNC group of meteorites, specifically a shergottite. It is reported to be remarkably similar in mineralogy, petrogenesis and chemistry to the previously known ALH77005 shergottite, with both being compositionally distinct from other shergottites. LEW88516 shows pervasive shock features and has been found to contain glass veins attributable to a shock origin. In an effort to determine whether the glass in LEW88516 contains any of the isotopically-heavy trapped nitrogen component observed in EETA 79001 glass, as well as the related high-Ar-40/Ar-36 and high-Xe-129/Xe-132 components, we undertook an analysis of an 11.9 mg glass sample (LEW88516,4) provided to us by H. Y. McSween, Jr. as part of a consortium study of this meteorite. Nitrogen and noble gases were extracted from LEW88516,4 in a series of combustion steps at increasing temperatures followed by a final pyrolysis. Initial steps at 550 C were intended to remove any surface-sited nitrogen-containing contaminants, while the 700 C step was expected to show the onset of release of a trapped argon component, based on our previous data for EETA 79001. It was hoped that the bulk of any trapped gas release would be concentrated in one of two steps at 1100 C and approximately 1400 C, maximizing our analytical sensitivity. Results of the analysis are shown. Except for He and Ne, data obtained for the 550 C steps will be omitted from further consideration on the assumption that they represent terrestrial contamination.

Becker, R. H.↗
NASA NTRS2004

The Far-Infrared Spectrum of Arp 220

ISO/LWS grating observations of the ultraluminous infrared galaxy Arp 220 shows absorption in molecular lines of OH, H 2 0 , CH, NH, and "3, well as in the [0 I] 63 pm line and emission in the [C 111 158 pm line. We have modeled the continuum and the emission/absorption of all observed features by means of a non-local radiative transfer code. The continuum from 25 to 1300 pm is modeled AS A WARM (106 K) NUCLEAR REGION THAT IS OPTICALLY THICK IN THE FAR-INFRARED, attenuated by an extended region (size 2") that is heated mainly through absorption of nuclear infrared radiation. The molecular absorption in the nuclear region is characterized by high excitation due to the high infrared radiation density. The OH column densities are high toward the nucleus and the extended region (about 2 x 10 sup 17 cm sup-2). The H2O column density is also high toward the nucleus (2 - 10 x 1017 cm-2) and lower in the extended region. The column densities in a halo that accounts for the absorption by the lowest lying levels are similar to what are found in the diffuse clouds toward the star forming regions in the Sgr B2 molecular cloud complex near the Galactic Center. Most notable are the high column densities found for NH and NH3 toward the nucleus, with values of about 1.5 x 10supl6 cmsup-2 and about 3 x 10supl6 cmsup-2, respectively, whereas the NH2 column density is lower than about 2 x 10sup15 cmsup-2. A combination of PDRs in the extended region and hot cores with enhanced H20 photodissociation and a possible shock contribution in the nuclei may explain the relative column densities of OH and H20, whereas the nitrogen chemistry may be strongly affected by cosmic ray ionization. The [C II] 158 pm line is well reproduced by our models and its "deficit" relative to the CII/FIR ratio in normal and starburst galaxies is suggested to be mainly a consequence of the dominant non-PDR component of far- infrared radiation, ALTHOUGH OUR MODELS ALONE CANNOT RULE OUT EXTINCTION EFFECTS IN THE NUCLEI.

Gonzalez-Alfonso, Eduardo↗
NASA NTRS2016

A Physics-Based Approach to Hypersonic Nonequilibrium Chemistry

NASA has undertaken a concerted effort to generate a complete model for the chemical reactions and other collisional processes that take place in the bow shock layer and wake of spacecraft entering the atmospheres of Earth and Mars. This new model is based on first-principles physics calculations: interaction potentials between colliding species obtained from accurate quantum mechanics calculations and reaction rate coefficients and cross sections based on classical mechanics simulations of heavy particle collisions.This presentation will give an introduction to the underlying theory and computational methods used in this work and describe the range of chemical and physical processes that take place in the close vicinity of spacecraft during atmospheric entry. I will also present some of our recent results for reactions involving nitrogen, carbon monoxide and CO2.

Jaffe, Richard↗
NASA NTRS2024

Improved Chemistry and Attenuation Models for Communication Blackout Simulation During Mars 2020 Entry

As a blunt body enters a planetary atmosphere, a plasma forms in the hypersonic shock layer and attenuates radio communication causing signal blackout for some duration of the entry sequence. In our previous work,1 computational fluid dynamics (CFD) was applied to model the entry flow around the Mars 2020 spacecraft, including ionization and electron density throughout the flow field, and predict ultra-high frequency (UHF) radio wave attenuation due to electrons. In total, 17 chemical species and their spatial profiles are modelled around the Mars 2020 spacecraft at 11 different points in time during entry. Although the simulation predicted the onset of attenuation well, the timing of the end of the predicted blackout window significantly preceded the end time observed during the 2021 landing. The present work seeks to improve the attenuation model by accounting for the fact that electrons undergo collisions with heavier species in the flow, which is an effect that was neglected in previous analyses. It is determined that including electron collisions increases the overall magnitude of attenuation predicted especially towards the end of the measured attenuation period, improving qualitative agreement between predicted and measured attenuation to both spacecraft receiving the signal from Mars 2020. To explore the remaining uncertainty in signal attenuation predictions further, a sensitivity study is performed to investigate the impact of associative ionization and electron-impact ionization rate coefficients on the electron density predicted by CFD and on the resulting attenuation predictions. These coefficients are believed to contain up to order-of-magnitude uncertainty, and therefore may significantly affect the number density of electrons throughout the flow field. Variations in associative ionization coefficients demonstrate significant impact on the magnitude of attenuation due to variation in the electron density coming from associative ionization. However, the start and end times of the predicted signal attenuation period are only slightly impacted by said variation.

Eve Papajak↗
NASA NTRS2024

Improved Chemistry and Attenuation Models for Communication Blackout Simulation During Mars 2020 Entry

As a blunt body enters a planetary atmosphere, a plasma forms in the hypersonic shock layer and attenuates radio communication causing signal blackout for some duration of the entry sequence. In our previous work,1 computational fluid dynamics (CFD) was applied to model the entry flow around the Mars 2020 spacecraft, including ionization and electron density throughout the flow field, and predict ultra-high frequency (UHF) radio wave attenuation due to electrons. In total, 17 chemical species and their spatial profiles are modelled around the Mars 2020 spacecraft at 11 different points in time during entry. Although the simulation predicted the onset of attenuation well, the timing of the end of the predicted blackout window significantly preceded the end time observed during the 2021 landing. The present work seeks to improve the attenuation model by accounting for the fact that electrons undergo collisions with heavier species in the flow, which is an effect that was neglected in previous analyses. It is determined that including electron collisions increases the overall magnitude of attenuation predicted especially towards the end of the measured attenuation period, improving qualitative agreement between predicted and measured attenuation to both spacecraft receiving the signal from Mars 2020. To explore the remaining uncertainty in signal attenuation predictions further, a sensitivity study is performed to investigate the impact of associative ionization and electron-impact ionization rate coefficients on the electron density predicted by CFD and on the resulting attenuation predictions. These coefficients are believed to contain up to order-of-magnitude uncertainty, and therefore may significantly affect the number density of electrons throughout the flow field. Variations in associative ionization coefficients demonstrate significant impact on the magnitude of attenuation due to variation in the electron density coming from associative ionization. However, the start and end times of the predicted signal attenuation period are only slightly impacted by said variation.

Eve Papajak↗
NASA NTRS2017

The Effect of Shock on the Amorphous Component in Altered Basalt

Investigation of the geochemical and mineralogical composition of the Martian surface provides insight into the geologic history of the predominantly basaltic crust. The Chemistry and Mineralogy (CheMin) instrument onboard the Curiosity rover has returned the first X-Ray diffraction data from the Martian surface. However, large proportions (27 +/- 14 with some estimates as high as 50 weight percentage) of an amorphous component have been reported. As a remedy to this problem, mass balance equations using geochemistry, volatile chemistry, and mineralogy have been employed to constrain the geochemistry of the amorphous component. However, "the nature and number of amorphous phases that constitute the amorphous component is not unequivocally known". Multiple hypotheses have been proposed to explain the origin of this amorphous component: Allophane (Al2O); Basaltic glass (Volcanic and impact); Palagonite (Altered basaltic glass); Hisingerite (Fe (sup 3 plus)-bearing phyllosilicate); S/Cl-rich component (sulfates and/or akaganeite); Nanophase ferric oxide component (npOx). Establishing a multi-phase amorphous component from a basaltic precursor that has undergone physical and chemical weathering within geochemical constraints is of paramount importance to better understand the composition of a large portion of the Martian surface (up to 50 weight percentage). Shocked basalts from Lonar Crater in India are valuable analogs for the Martian surface because it is a well-preserved impact crater in a basaltic target. Having undergone pre- and post-shock aqueous alteration, these rocks provide crucial data regarding the effect of shock on the amorphous component in altered basalt. By conducting mass balance equations similar to what has been performed for Gale crater materials, we attempt to calculate the geochemistry of the amorphous component in altered basalts ranging from unshocked to Class 5 (Table 1). This has the potential to reveal the nature and origin (i.e. primary igneous, shock metamorphic, and/or aqueous alteration occurring before or after the impact event) of the amorphous component in shocked basalt with the goal of unravelling the history of the Martian surface.

Eckley, S. A.↗