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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Biocatalytic Synthesis of α-Amino Esters via Nitrene C–H Insertion

α-Amino esters are precursors to noncanonical amino acids used in developing small-molecule therapeutics, biologics, and tools in chemical biology. α-C–H amination of abundant and inexpensive carboxylic acid esters through nitrene transfer presents a direct approach to α-amino esters. Methods for nitrene-mediated amination of the protic α-C–H bonds in carboxylic acid esters, however, are underdeveloped. This gap arises because hydrogen atom abstraction (HAA) of protic C–H bonds by electrophilic metal-nitrenoids is slow: metal-nitrenoids preferentially react with polarity-matched, hydridic C–H bonds, even when weaker protic C–H bonds are present. This study describes the discovery and evolution of highly stable protoglobin nitrene transferases that catalyze the enantioselective intermolecular amination of the α-C–H bonds in carboxylic acid esters. We developed a high-throughput assay to evaluate the activity and enantioselectivity of mutant enzymes together with their sequences using the Every Variant Sequencing (evSeq) method. Furthermore, the assay enabled the identification of enantiodivergent enzymes that function at ambient conditions in Escherichia coli whole cells and whose activities can be enhanced by directed evolution for the amination of a range of substrates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

The Cosmological Evolution of Radio Sources with CENSORS

The CENSORS survey, selected from the NVSS, has been followed up using EIS, K-band imaging and spectroscopic observations to produce a radio sample capable of probing the source density in the regime: z greater than 2.5. With a current spectroscopic completeness of 62%, CENSORS has been used in direct modeling of RLF evolution and in V/V(sub max) tests. There is evidence for a shallow decline in number density of source in the luminosity range 10(sup 26) - 10(sup 27)WHz(sup -1) at 1.4GHz.

astronomy↗
DOE OSTI2025

Breaking the mold: Overcoming the time constraints of molecular dynamics on general-purpose hardware

The evolution of molecular dynamics (MD) simulations has been intimately linked to that of computing hardware. For decades following the creation of MD, simulations have improved with computing power along the three principal dimensions of accuracy, atom count (spatial scale), and duration (temporal scale). Since the mid-2000s, computer platforms have, however, failed to provide strong scaling for MD, as scale-out central processing unit (CPU) and graphics processing unit (GPU) platforms that provide substantial increases to spatial scale do not lead to proportional increases in temporal scale. Important scientific problems therefore remained inaccessible to direct simulation, prompting the development of increasingly sophisticated algorithms that present significant complexity, accuracy, and efficiency challenges. While bespoke MD-only hardware solutions have provided a path to longer timescales for specific physical systems, their impact on the broader community has been mitigated by their limited adaptability to new methods and potentials. In this work, we show that a novel computing architecture, the Cerebras wafer scale engine, completely alters the scaling path by delivering unprecedentedly high simulation rates up to 1.144 M steps/s for 200 000 atoms whose interactions are described by an embedded atom method potential. This enables direct simulations of the evolution of materials using general-purpose programmable hardware over millisecond timescales, dramatically increasing the space of direct MD simulations that can be carried out. In this paper, we provide an overview of advances in MD over the last 60 years and present our recent result in the context of historical MD performance trends.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Gluon saturation effects in exclusive heavy vector meson photoproduction

We study exclusive J/ψ and ϒ photoproduction for proton and Pb targets in the high-energy limit, with the energy dependence computed using the linear Balitsky–Fadin–Kuraev–Lipatov and the nonlinear Balitsky–Kovchegov evolution equations. The difference between these two evolution equations can be directly attributed to gluon saturation physics. We find that for proton targets there is no difference between the two approaches at the energies of the currently available data, while for Pb targets in J/ψ production the data shows a clear preference for the evolution with gluon saturation.

UPC↗
NASA NTRS2006

Exploring the Mineralogy of the Moon with M3

From the initial era or lunar exploration, we have learned that many processes active on the early Moon are common to most terrestrial planets, including the record of early and late impact bombardment. Since most major geologic activity ceased on the Moon approx. 3 Gy ago, the Moon's surface provides a record of the earliest era of terrestrial planet evolution. The type and composition of minerals that comprise a planetary surface are a direct result of the initial composition and subsequent thermal and physical processing. Lunar mineralogy seen today is thus a direct record of the early evolution of the lunar crust and subsequent geologic processes. Specifically, the distribution and concentration of specific minerals is closely tied to magma ocean products, lenses of intruded or remelted plutons, basaltic volcanism and fire-fountaining, and any process (e.g. cratering) that might redistribute or transform primary and secondary lunar crustal materials. The Moon Mineralogy Mapper (M3, or "m-cube") is a state-of-the-art imaging spectrometer that will fly on Chandrayaan-1, the Indian Space Research Organization (ISRO) mission to be launched late 2007 to early 2008. M3 is one of several foreign instruments chosen by ISRO to be flown on Chandrayaan-1 to complement the strong ISRO payload package. M3 was selected through a peer-review process as part of NASA s Discovery Program. It is under the oversight of PI Carle Pieters at Brown University and is being built by an experienced team at the Jet Propulsion Laboratory. Data analysis and calibration are carried out by a highly qualified and knowledgeable Science Team. To characterize diagnostic properties of lunar minerals, M3 acquires high spectral resolution reflectance data from 700 to 3000 nm (optional to 430 nm). M3 operates as a pushbroom spectrometer with a slit oriented orthogonal to the S/C orbital motion. Measurements are obtained simultaneously for 640 cross track spatial elements and 261 spectral elements. This translates to 70 m/pixel spatial resolution from a nominal 100 km polar orbit for Chandrayaan-1 . The primary science goal of M3 is to characterize and map lunar surface mineralogy in the context of its geologic evolution as outlined above. This translates into several sub-topics that focus on exploring the mineral character of the highland crust, characterizing the diversity basaltic volcanism, and identifying potential volatile concentrations near the poles. The primary exploration goal is to assess and map lunar mineral resources at high spatial resolution to support planning for future, targeted missions.

Pieters, C. M.↗
NASA NTRS2004

LASTRAC.3d: Transition Prediction in 3D Boundary Layers

Langley Stability and Transition Analysis Code (LASTRAC) is a general-purpose, physics-based transition prediction code released by NASA for laminar flow control studies and transition research. This paper describes the LASTRAC extension to general three-dimensional (3D) boundary layers such as finite swept wings, cones, or bodies at an angle of attack. The stability problem is formulated by using a body-fitted nonorthogonal curvilinear coordinate system constructed on the body surface. The nonorthogonal coordinate system offers a variety of marching paths and spanwise waveforms. In the extreme case of an infinite swept wing boundary layer, marching with a nonorthogonal coordinate produces identical solutions to those obtained with an orthogonal coordinate system using the earlier release of LASTRAC. Several methods to formulate the 3D parabolized stability equations (PSE) are discussed. A surface-marching procedure akin to that for 3D boundary layer equations may be used to solve the 3D parabolized disturbance equations. On the other hand, the local line-marching PSE method, formulated as an easy extension from its 2D counterpart and capable of handling the spanwise mean flow and disturbance variation, offers an alternative. A linear stability theory or parabolized stability equations based N-factor analysis carried out along the streamline direction with a fixed wavelength and downstream-varying spanwise direction constitutes an efficient engineering approach to study instability wave evolution in a 3D boundary layer. The surface-marching PSE method enables a consistent treatment of the disturbance evolution along both streamwise and spanwise directions but requires more stringent initial conditions. Both PSE methods and the traditional LST approach are implemented in the LASTRAC.3d code. Several test cases for tapered or finite swept wings and cones at an angle of attack are discussed.

Chang, Chau-Lyan↗
NASA NTRS2006

Characterizing the Mineralogy of Potential Lunar Landing Sites

Many processes active on the early Moon are common to most terrestrial planets, including the record of early and late impact bombardment. The Moon's surface provides a record of the earliest era of terrestrial planet evolution, and the type and composition of minerals that comprise a planetary surface are a direct result of the initial composition and subsequent thermal and physical processing. Lunar mineralogy seen today is thus a direct record of the early evolution of the lunar crust and subsequent geologic processes. Specifically, the distribution and concentration of specific minerals is closely tied to magma ocean products, lenses of intruded or remelted plutons, basaltic volcanism and fire-fountaining, and any process (e.g. cratering) that might redistribute or transform primary and secondary lunar crustal materials. The association of several lunar minerals with key geologic processes is illustrated in Figure 1. The geologic history of potential landing sites on the Moon can be read from the character and context of local mineralogy.

Pieters, Carle↗
NASA NTRS1985

The Evolution of CO2 on Mars

The consequences of the hypothesis that the evolution of CO2 is directly linked to the occurrence of at least transitory pockets of moisture were exposed. The current conditions preclude the existence of open bodies of liquid water and the formation of moisture in disequilibrium is not excluded by any known constraints. The water evaporation rate is inversely proportional to PCO2, and the existence of a limiting value (P*) for which liquid water can form in the Mars environment is postulated. The evolution of PCO2 is controlled largely by relatively rapid aqueous chemistry forming carbon-containing sedimentary rocks, perhaps during early history in open water, but more recently in transitory pockets of moisture in the soil. Once the total atmospheric pressure is reduced to near P*, the occurrence of transitory moisture is inhibited, and atmospheric CO2 is no longer depleted by an efficient mechanism. The role of the carbonate reservoir in the current overall carbon budget on Mars, according to this scheme, is illustrated.

Kahn, R.↗
NASA NTRS1992

The evolution of AGN's at x ray wavelengths

The cosmological evolution and the Luminosity Function (LF) of x-ray selected Active Galactic Nuclei (AGN) are discussed. The sample used is extracted from the Einstein Observatory Extended Medium Sensitivity Survey (EMSS) and consists of more than 420 objects. Preliminary results from the Rosat all sky survey data confirm the correctness of the optical identification of the EMSS sources, thus giving confidence to the results obtained from the analysis of the AGN sample. The XLF observed at different redshifts gives direct evidence of cosmological evolution. Data were analyzed within the framework of luminosity evolution models and the two most common evolutionary forms were considered. Luminosity dependent evolution is required if the evolution function has the exponential form, whereas the simpler pure luminosity evolution model is still acceptable if the evolution function has the power law form. Using the whole sample of objects the number counts and the devolved XLF were derived. A comparison of the EMSS Data with preliminary Rosat results indicates an overall agreement.

Maccacaro, Tommaso↗
NASA NTRS1992

ROSAT all-sky survey on the Einstein EMSS sample

The cosmological evolution and the luminosity function (XLF) of X ray selected Active Galactic Nuclei (AGN's) are discussed. The sample used is extracted from the Einstein Observatory Extended Medium Sensitivity Surveys (EMSS) and consists of more than 420 objects. Preliminary results from the ROSAT All-Sky Survey data confirm the correctness of the optical identification of the EMSS sources, thus giving confidence to the results obtained from the analysis of the AGN's sample. The XLF observed at different redshifts (up to z approx. 2) gives direct evidence of cosmological evolution. Data have been analyzed within the framework of luminosity evolution models and the two most common evolutionary forms, L sub x(Z) = L sub x(0) x e(sup Cr) and L sub x(Z) = L sub x(0) x (1 + z)(exp C), have been considered. Luminosity dependent evolution is required if the evolution function has the exponential form, whereas the simpler pure luminosity evolution model is still acceptable if the evolution function has the power law form. Using the whole sample of objects the number-counts and the de-evolved (z = 0) XLF have been derived. A comparison of the EMSS data with preliminary ROSAT results presented at this meeting indicates an overall agreement.

Maccacaro, Tomasso↗
NASA NTRS2005

Boundary-Layer Receptivity and Integrated Transition Prediction

The adjoint parabold stability equations (PSE) formulation is used to calculate the boundary layer receptivity to localized surface roughness and suction for compressible boundary layers. Receptivity efficiency functions predicted by the adjoint PSE approach agree well with results based on other nonparallel methods including linearized Navier-Stokes equations for both Tollmien-Schlichting waves and crossflow instability in swept wing boundary layers. The receptivity efficiency function can be regarded as the Green's function to the disturbance amplitude evolution in a nonparallel (growing) boundary layer. Given the Fourier transformed geometry factor distribution along the chordwise direction, the linear disturbance amplitude evolution for a finite size, distributed nonuniformity can be computed by evaluating the integral effects of both disturbance generation and linear amplification. The synergistic approach via the linear adjoint PSE for receptivity and nonlinear PSE for disturbance evolution downstream of the leading edge forms the basis for an integrated transition prediction tool. Eventually, such physics-based, high fidelity prediction methods could simulate the transition process from the disturbance generation through the nonlinear breakdown in a holistic manner.

Chang, Chau-Lyan↗
NASA NTRS2004

Overview of NASA's Earth Science Data Systems

For over the last 15 years, NASA's Earth Science Enterprise (ESE) has devoted a tremendous effort to design and build the Earth Observing System (EOS) Data and Information System (EOSDIS) to acquire, process, archive and distribute the data of the EOS series of satellites and other ESE missions and field programs. The development of EOSDIS began with an early prototype to support NASA data from heritage missions and progressed through a formal development process to today's system that supports the data from multiple missions including Landsat 7, Terra, Aqua, SORCE and ICESat. The system is deployed at multiple Distributed Active Archive Centers (DAACs) and its current holdings are approximately 4.5 petabytes. The current set of unique users requesting EOS data and information products exceeds 2 million. While EOSDIS has been the centerpiece of NASA's Earth Science Data Systems, other initiatives have augmented the services of EOSDIS and have impacted its evolution and the future directions of data systems within the ESE. ESDIS had an active prototyping effort and has continued to be involved in the activities of the Earth Science Technology Office (ESTO). In response to concerns from the science community that EOSDIS was too large and monolithic, the ESE initiated the Earth Science Information Partners (ESP) Federation Experiment that funded a series of projects to develop specialized products and services to support Earth science research and applications. Last year, the enterprise made 41 awards to successful proposals to the Research, Education and Applications Solutions Network (REASON) Cooperative Agreement Notice to continue and extend the ESP activity. The ESE has also sponsored a formulation activity called the Strategy for the Evolution of ESE Data Systems (SEEDS) to develop approaches and decision support processes for the management of the collection of data system and service providers of the enterprise. Throughout the development of its earth science data systems, NASA has had an active collaboration with a number of interagency and international partners. One of the mechanisms that has been extremely helpful in initiating and promoting this collaboration has been NASA's participation in the Committee on Earth Observation Satellites (CEOS) and its Working Group on Information Systems and Services (WGISS). The CEOS members, working together, have implemented an International Directory Network that enables users to locate collections of earth science data held by the international community and an International Catalog System to search and order specific data products. CEOS WGISS has also promoted the international interest in the Open GIS Consortium s specifications that further advance the access and use of geospatial data and the interoperation of GTS components. These are just a few highlights of the benefits that member agencies gain from CEOS participation.

McDonald, Kenneth↗
NASA NTRS1992

A lower limit of the cosmic mean density from the ages of clusters of galaxies

The presence of substructure in clusters of galaxies indicates that they have recently formed or accreted a significant fraction of their mass. The cosmic time at which this occurs is set in large part by the density of that region of space at very large redshift. If the distribution of density perturbations at high redshift is Gaussian, then the frequency of subclustering now is set by the mean density at recombination. Thus, the observed frequency of subclustering can be used to constrain. Surprisingly, plausible values of Lambda have little effect on this result. Unless three independent evaluations of the incidence of subclustering are all overestimates, or substructure lasts significantly longer than a crossing time in clusters, or perturbations at high redshift are not Gaussian, the universe is fairly dense (Omega sub 0 greater than about 0.5). The same line of argument suggests that direct observations (e.g., with Rosat) of evolution of the cluster population with shifts will provide a complementary direct measure of Omega sub 0.

Richstone, D.↗
NASA NTRS2000

A DNA enzyme with N-glycosylase activity

In vitro evolution was used to develop a DNA enzyme that catalyzes the site-specific depurination of DNA with a catalytic rate enhancement of about 10(6)-fold. The reaction involves hydrolysis of the N-glycosidic bond of a particular deoxyguanosine residue, leading to DNA strand scission at the apurinic site. The DNA enzyme contains 93 nucleotides and is structurally complex. It has an absolute requirement for a divalent metal cation and exhibits optimal activity at about pH 5. The mechanism of the reaction was confirmed by analysis of the cleavage products by using HPLC and mass spectrometry. The isolation and characterization of an N-glycosylase DNA enzyme demonstrates that single-stranded DNA, like RNA and proteins, can form a complex tertiary structure and catalyze a difficult biochemical transformation. This DNA enzyme provides a new approach for the site-specific cleavage of DNA molecules.

Non-NASA Center↗
NASA NTRS1974

Clear air convection - A close look at its evolution and structure

A unique experiment using advanced remote and direct sensing techniques was designed to investigate the detailed evolution and structure of clear-air convection. The measurements involved a high-power, narrow-beam pulse radar, a frequency modulated, continuous wave radar, an acoustic echo sounder, and instrumented aircraft. The various probing methods when used together complement each other and give a compatible and comprehensive description of the spatial and temporal evolution of clear-air convection.

Richter, J. H.↗
NASA NTRS1999

A complex ligase ribozyme evolved in vitro from a group I ribozyme domain

Like most proteins, complex RNA molecules often are modular objects made up of distinct structural and functional domains. The component domains of a protein can associate in alternative combinations to form molecules with different functions. These observations raise the possibility that complex RNAs also can be assembled from preexisting structural and functional domains. To test this hypothesis, an in vitro evolution procedure was used to isolate a previously undescribed class of complex ligase ribozymes, starting from a pool of 10(16) different RNA molecules that contained a constant region derived from a large structural domain that occurs within self-splicing group I ribozymes. Attached to this constant region were three hypervariable regions, totaling 85 nucleotides, that gave rise to the catalytic motif within the evolved catalysts. The ligase ribozymes catalyze formation of a 3',5'-phosphodiester linkage between adjacent template-bound oligonucleotides, one bearing a 3' hydroxyl and the other a 5' triphosphate. Ligation occurs in the context of a Watson-Crick duplex, with a catalytic rate of 0.26 min(-1) under optimal conditions. The constant region is essential for catalytic activity and appears to retain the tertiary structure of the group I ribozyme. This work demonstrates that complex RNA molecules, like their protein counterparts, can share common structural domains while exhibiting distinct catalytic functions.

NASA Discipline Exobiology↗
NASA NTRS1987

Extraterrestrial civilizations: Problems of their evolution

The problem of finding extraterrestrial civilizations and establishing contact with them is directly related to the problem of their evolution. Possible patterns in this evolution and the stages in the evolution of extraterrestrial civilizations are examined.

Leskov, L. V.↗
NASA NTRS2003

Impacts and evolution: future prospects

The discipline of astrobiology includes the dynamics of biological evolution. One of the major ways that the cosmos influences life is through the catastrophic environmental disruptions caused when comets and asteroids collide with a planet. We now recognize that such impacts have caused mass extinctions and played a major role in determining the evolution of life on Earth. The time-averaged impact flux as a function of projectile energy can be derived from lunar cratering statistics as well as the current population of near Earth asteroids (NEAs). Effects of impacts of various energies can be modeled, using data from historic impacts [such as the Cretaceous-Tertiary (KT) impactor 65 million years ago] and the observed 1994 bombardment of Jupiter by fragments of Comet Shoemaker-Levy 9. It is of particular interest to find from such models that the terrestrial environment is highly vulnerable to perturbation from impacts, so that even such a small event as the KT impact (by a projectile 10-15 km in diameter) can lead to a mass extinction. Similar considerations allow us to model the effects of still smaller (and much more likely) impacts, down to the size of the asteroid that exploded over Tunguska in 1908 (energy approximately 10 megatons). Combining the impact flux with estimates of environmental and ecological effects reveals that the greatest contemporary hazard is associated with impactors near 1 million megatons in energy (approximately 2 km in diameter for an asteroid). The current impact hazard is significant relative to other natural hazards, and arguments can be developed to illuminate a variety of public policy issues. The first priority in any plan for defense against impactors is to survey the population of Earth-crossing NEAs and project their orbits forward in time. This is the purpose of the Spaceguard Survey, which has already found more than half of the NEAs >1 km in diameter. If there is an NEA on a collision course with Earth, it can be discovered and the impact predicted with decades or more of warning. It is then possible to consider how to deflect or disrupt the NEA. Unlike other natural hazards, the impact risk can be largely eliminated, given sufficient advanced knowledge to take action against the threatening projectile.

Directed Molecular Evolution↗