SEARCH · Engineering Papers

Results for “structural evolution”

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.

SourceResearch connectionFrom yearThrough year

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

At least 1,279 records · Page 71

All sources NASA NTRS DOE OSTI

NASA NTRS1986

Greenstone belts: Their boundaries, surrounding rock terrains and interrelationships

Greenstone belts are an important part of the fragmented record of crustal evolution, representing samples of the magmatic activity that formed much of the Earth's crust. Most belts developed rapidly, in less than 100 Ma, leaving large gaps in the geological record. Surrounding terrains provide information on the context of greenstone belts. The effects of tectonic setting, structural geometry and evolution, associated plutonic activity and sedimentation are discussed.

Percival, J. A.↗

DOE OSTI2024

Structure, Bonding, and Vibrational Dynamics of a Triamine High Energy Density Material under Pressure

High energy density materials have complex intermolecular interactions which influence their stability and performance. We used a combination of synchrotron X-ray diffraction, synchrotron infrared spectroscopy, and Raman vibrational spectroscopy, supplemented by density functional theory calculations, to probe pressure-induced changes in structure and intermolecular interactions of 1H,4'H-[3,3'-bis(1,2,4-triazole)]-4',5,5'-triamine as a model high energy density material up to 40 GPa. We find that compression of the triamine is accompanied by increased intermolecular interactions that give rise to an interesting evolution of the structure and bonding with pressure. Analysis of the equation of state determined from the X-ray diffraction indicates a change in compression mechanism near 19 GPa consistent with changes in vibrational spectra that provide evidence for a structural rearrangement associated with changes in hydrogen bonding near that pressure. As a result, the overall compressional behavior calculated theoretically agrees with that observed experimentally though differences are found that indicate the need for improved treatment of the intermolecular interactions including hydrogen bonding under pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Nonmonotonic Band Flattening near the Magic Angle of Twisted Bilayer MoTe 2

Twisted bilayer MoTe 2 (tMoTe 2 ) is an emergent platform for exploring exotic quantum phases driven by the interplay between nontrivial band topology and strong electron correlations. Direct experimental access to its momentum-resolved electronic structure is essential for uncovering the microscopic origins of the correlated topological phases therein. Here, we report angle-resolved photoemission spectroscopy measurements of tMoTe 2 , revealing pronounced twist-angle-dependent band reconstruction shaped by orbital character, interlayer coupling, and moiré potential modulation. Density functional theory captures the qualitative evolution, yet underestimates key energy scales across twist angles, highlighting the importance of electronic correlations. Notably, the hole effective mass at the 𝐾 point exhibits a nonmonotonic dependence on twist angle, peaking near 2°, consistent with band flattening at the magic angle predicted by continuum models. Via electrostatic gating and surface dosing, we further visualize the evolution of electronic structure versus doping, enabling direct observation of the conduction band minimum and confirm tMoTe 2 as a direct band gap semiconductor. These results establish a spectroscopic foundation for modeling and engineering emergent quantum phases in this moiré platform.

2D materials↗

NASA NTRS1993

A time-dependent model of polar cap arcs

In the present 2D time-dependent model of polar cap arcs, the electrodynamics of the polar cap arcs are treated self-consistently in the frame of the coupled magnetosphere-ionosphere system. The focus of this work is a description of the features of the spatial structure and temporal evolution of the polar cap arcs. Results indicate that the time constant for the formation of the polar cap arcs is around 10 min; an initial single-arc precipitation pattern associated with a polar cap arc tends to split into multiple precipitation regions, yielding a multiple polar cap arc structure. Strong downward field-aligned currents can develop near the intensive upward field-aligned currents and form a pair structure of the field-aligned current in the polar cap arcs. The model predicts plasma flow crossing the polar cap arcs, but its amplitude is small and its characteristic time scale is much larger than the time constant for the formation of the polar cap arcs. While polar cap arcs are developing, the associated current system tends to become further localized.

Zhu, L.↗

NASA NTRS2000

Fast Particle Methods for Multiscale Phenomena Simulations

We are developing particle methods oriented at improving computational modeling capabilities of multiscale physical phenomena in : (i) high Reynolds number unsteady vortical flows, (ii) particle laden and interfacial flows, (iii)molecular dynamics studies of nanoscale droplets and studies of the structure, functions, and evolution of the earliest living cell. The unifying computational approach involves particle methods implemented in parallel computer architectures. The inherent adaptivity, robustness and efficiency of particle methods makes them a multidisciplinary computational tool capable of bridging the gap of micro-scale and continuum flow simulations. Using efficient tree data structures, multipole expansion algorithms, and improved particle-grid interpolation, particle methods allow for simulations using millions of computational elements, making possible the resolution of a wide range of length and time scales of these important physical phenomena.The current challenges in these simulations are in : [i] the proper formulation of particle methods in the molecular and continuous level for the discretization of the governing equations [ii] the resolution of the wide range of time and length scales governing the phenomena under investigation. [iii] the minimization of numerical artifacts that may interfere with the physics of the systems under consideration. [iv] the parallelization of processes such as tree traversal and grid-particle interpolations We are conducting simulations using vortex methods, molecular dynamics and smooth particle hydrodynamics, exploiting their unifying concepts such as : the solution of the N-body problem in parallel computers, highly accurate particle-particle and grid-particle interpolations, parallel FFT's and the formulation of processes such as diffusion in the context of particle methods. This approach enables us to transcend among seemingly unrelated areas of research.

Koumoutsakos, P.↗

NASA NTRS2016

Correlation of Coronal Plasma Properties and Solar Magnetic Field in a Decaying Active Region

We present the analysis of a decaying active region observed by the EUV Imaging Spectrometer on Hinode during 2009 December 7-11. We investigated the temporal evolution of its structure exhibited by plasma at temperatures from 300,000 to 2.8 million degrees, and derived the electron density, differential emission measure, effective electron temperature, and elemental abundance ratios of Si/S and Fe/S (as a measure of the First Ionization Potential (FIP) Effect). We compared these coronal properties to the temporal evolution of the photospheric magnetic field strength obtained from the Solar and Heliospheric Observatory Michelson Doppler Imager magnetograms. We find that, while these coronal properties all decreased with time during this decay phase, the largest change was at plasma above 1.5 million degrees. The photospheric magnetic field strength also decreased with time but mainly for field strengths lower than about 70 Gauss. The effective electron temperature and the FIP bias seem to reach a basal state (at 1.5 x 10(exp 6) K and 1.5, respectively) into the quiet Sun when the mean photospheric magnetic field (excluding all areas <10 G) weakened to below 35 G, while the electron density continued to decrease with the weakening field. These physical properties are all positively correlated with each other and the correlation is the strongest in the high-temperature plasma. Such correlation properties should be considered in the quest for our understanding of how the corona is heated. The variations in the elemental abundance should especially be considered together with the electron temperature and density.

Sun: abundances↗

NASA NTRS2016

Coronal Polarization of Pseudostreamers and the Solar Polar Field Reversal

The reversal of the solar polar magnetic field is notoriously hard to pin down due to the extreme viewing angle of the pole. In Cycle 24, the southern polar field reversal can be pinpointed with high accuracy due to a large-scale pseudostreamer that formed over the pole and persisted for approximately a year. We tracked the size and shape of this structure with multiple observations and analysis techniques including PROBA2/SWAP EUV images, AIA EUV images, CoMP polarization data, and 3D tomographic reconstructions. We find that the heliospheric field reversed polarity in February 2014, whereas in the photosphere, the last vestiges of the previous polar field polarity remained until March 2015. We present here the evolution of the structure and describe its identification in the Fe XII 1074nm coronal emission line, sensitive to the Hanle effect in the corona.

magnetic field↗

NASA NTRS2011

Spatial and Temporal Signatures of Flux Transfer Events in Global Simulations of Magnetopause Dynamics

Flux transfer events (FTEs) were originally identified by transient bipolar variations of the magnetic field component normal to the nominal magnetopause centered on enhancements in the total magnetic field strength. Recent Cluster and THEMIS multi-point measurements provided a wide range of signatures that are interpreted as evidence for FTE passage (e.g., crater FTE's, traveling magnetic erosion regions). We use the global magnetohydrodynamic (MHD) code BATS-R-US developed at the University of Michigan to model the global three-dimensional structure and temporal evolution of FTEs during multi-spacecraft magnetopause crossing events. Comparison of observed and simulated signatures and sensitivity analysis of the results to the probe location will be presented. We will demonstrate a variety of observable signatures in magnetic field profile that depend on space probe location with respect to the FTE passage. The global structure of FTEs will be illustrated using advanced visualization tools developed at the Community Coordinated Modeling Center

Kuznetsova, Maria M.↗

DOE OSTI2022

Novel fold of rotavirus glycan-binding domain predicted by AlphaFold2 and determined by X-ray crystallography

The VP8* domain of spike protein VP4 in group A and C rotaviruses, which cause epidemic gastroenteritis in children, exhibits a conserved galectin-like fold for recognizing glycans during cell entry. In group B rotavirus, which causes significant diarrheal outbreaks in adults, the VP8* domain (VP8*B) surprisingly lacks sequence similarity with VP8* of group A or group C rotavirus. Here, by using the recently developed AlphaFold2 for ab initio structure prediction and validating the predicted model by determining a 1.3-Å crystal structure, we show that VP8*B exhibits a novel fold distinct from the galectin fold. This fold with a β-sheet clasping an α-helix represents a new fold for glycan recognition based on glycan array screening, which shows that VP8*B recognizes glycans containing N-acetyllactosamine moiety. Although uncommon, our study illustrates how evolution can incorporate structurally distinct folds with similar functionality in a homologous protein within the same virus genus.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2012

The Role of (Delta)C-13 in the Search for Reduced Organics on the Surface of Mars

The capabilities of the Sample Analysis at Mars (SAM) instrument suite on the Mars Science Laboratory (MSL) to detect trace amounts of organic carbon compounds are unprecedented, and MSL may be the first mission to reveal the presence of organic carbon on Mars. The search for reduced organic carbon on Mars is inextricably tied to: a) the preservation potential of the environment from which we take a solid sample, and b) the evolved gas analysis (EGA) techniques used by SAM to release volatiles from this solid sample. Several prospective targets have been identified for sample analysis at Gale Crater. Stratigraphic sequences of phyllosilicates and sulfates at Gale are thought to represent a period of global climate transition from a moderate pH lacustrine environment to an evaporitic environment, both of which could sequester organic carbon (Thomson et al. 2011). The sediment mound in Gale Crater contains a range of lithologies suggesting changes in redox conditions, and evidence of both lacustrine and fluvial depositional processes, which may have transported organic carbon from the layer in which it formed and resulted in its preservation elsewhere within the crater (Anderson and Bell, 2010). Inverted channel fills suggest erosion resistant material that could serve to preserve organics originally deposited in a low energy aqueous environment. The lithology sampled will affect not only the preservation of organics, but also our ability to detect organics during our evolved gas analysis, based on the sample matrix. For example, reduced organics may be trapped in the mineral structure, and thermal evolution of these organics will occur during thermal decomposition of the host mineral. If organics are occluded in minerals that have very high thermal decomposition temperatures, they may be, in effect, "too well preserved," and difficult to detect during EGA. Alternatively, the possible presence of perchlorate, or other strong oxidants in surface regolith, may result in destruction of structural information identifying organic molecules before reaching the QMS on SAM via oxidation to C02 during heating. If this is the case, the stable carbon isotopic composition (delta 13C) of the C02 evolved and measured by the Tunable Laser Spectrometer (TLS) on SAM may help identify the presence of organics. On Earth, biological activity can cause large fractionations of 13C/12C, which can preserved in sedimentary deposits and distinguish the organic products of biotic processes from inorganic atmospheric and geological reservoirs. It is plausible that similar fractionations could occur on Mars and be preserved in reduced organic matter in sediments. Bulk delta 13C measurements alone may not reveal a signature of trace organic carbon that may be present along with inorganic carbon. If both organic and inorganic carbon compounds are present, it may be possible to detect the organic carbon by comparing the 013C of pyrolysis and combustion experiments. The TLS on SAM is capable of obtaining high precision measurements of delta13C from C02 evolved during pyrolysis and combustion of solid regolith samples. Because carbonates are expected to be present at abundances of 0.1-1 % in Martian soil, and organics in the ppb range (Webster and Mahaffy, 2011), analog samples must represent this mix of reduced organic carbon and carbonate. The work presented here will examine the use of delta13C of C02 produced during combustion of bulk Mars analog samples as a proxy for detection of reduced organic carbon.

Stern, J. C.↗

NASA NTRSDate not supplied

Probing the Sun with Imaging Spectrographs

EUV and X-ray images of the Sun have revolutionized our understanding of our closest star. With them, we can probe the morphology and temperature structure of the solar atmosphere and see how they evolve as a function of space and time. However, image data cannot be used to determine line-of-sight velocities, abundances, or densities. This information is required to calculate the energy budget of eruptive events, provide boundary conditions for global solar models, and explore fundamental processes occurring in the solar atmosphere. For those diagnostics, we require spectroscopy. Because the structures on the Sun are extended sources, most modern-day spectrometers observe the Sun through long narrow slits. Two-dimensional, spectrally pure solar images with velocity, abundance, and density information are built up by stepping the slit over regions of interest. This method implies that two-dimensional information is highly limited by cadence and the temporal evolution and spatial structure of these parameters can never be truly separated. Both spatial and spectral information can be obtained in a single snapshot with slitless spectrometers, which were often used in the 1950-1970s, but were abandoned due to the difficulty of unfolding the overlapping spatial and spectral information. Thanks to advances in computer processing speeds and machine learning algorithms, there have been several techniques developed to complete the spatial/spectral unfolding, unlocking the full capability of slitless spectrometers for solar observations. The goal of this talk is to give an overview of the capability of such instruments, including recent results from a sounding rocket flight, and demonstrate their usefulness in the next decade of solar observatories and beyond.

Amy Winebarger↗

NASA NTRSDate not supplied

Probing the Sun with Imaging Spectrographs

Amy Winebarger↗

NASA NTRSDate not supplied

Probing the Sun with Imaging Spectrographs

EUV and X-ray images of the Sun have revolutionized our understanding of our closest star. With them, we can probe the structure of the solar atmosphere and see how they evolve as a function of space and time. However, image data cannot be used to determine line-of-sight velocities, abundances, or densities. This information is required to calculate the energy budget of eruptive events, provide boundary conditions for global solar models, and explore fundamental processes occurring in the solar atmosphere. For those diagnostics, we require spectroscopy. Because the structures on the Sun are extended sources, most modern-day spectrometers observe the Sun through long narrow slits. Two-dimensional, spectrally pure solar images with velocity, abundance, and density information are built up by stepping the slit over regions of interest. This method implies that two-dimensional information is highly limited by cadence and the temporal evolution and spatial structure of these parameters can never be truly separated. Both spatial and spectral information can be obtained in a single snapshot with slitless spectrometers, which were often used in the 1950-1970s, but were abandoned due to the difficulty of unfolding the overlapping spatial and spectral information. Thanks to advances in computer processing speeds and machine learning algorithms, there have been several techniques developed to complete the spatial/spectral unfolding, unlocking the full capability of slitless spectrometers for solar observations. The goal of this talk is to give an overview of the capability of such instruments and demonstrate their usefulness in the next decade of solar observatories and beyond.

Amy Winebarger↗

DOE OSTI2021

SHarD: A beam dynamics simulation code for dielectric laser accelerators based on spatial harmonic field expansion

In order to demonstrate acceleration of electrons to relativistic scales by an on chip dielectric laser accelerator (DLA), a ponderomotive focusing scheme capable of capturing and transporting electrons through nanometer-scale apertures over extended interaction lengths has been proposed. Here we present a Matlab-based numerical code (SHarD) utilizing a spatial harmonic expansion of the fields within the dielectric structure to simulate the evolution of the beam phase space distribution in this scheme. The code can be used to optimize key-parameters for the accelerator performance such as the final energy, transverse spot size evolution and total number of electrons accelerated through currently fabricated structures. Eventually, the simulation model will be applied to inform the phase mask profile to be added to a pulse front tilt drive laser pulse using a liquid crystal mask in the experimental setup being assembled at UCLA Pegasus Laboratory.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1987

Some models of the Geminids meteor stream formation

Further development of methods of investigations of meteor shower structure and a great deal of observational data have made it possible to obtain a precise flux density profile along the Earth's orbit for the Geminids meteor shower. This curve proved to be adequately described by a exponential law. Examined are: (1) which ejection model will fit the observed shower structure; and (2) to what extent the subsequent process of evolution modifies the formed structure. The following conclusions are drawn: (1) When studying the mechanism of formation of meteor streams, it is necessary to take into consideration the velocity distribution of particles that have been ejected from the parent body; (2) On the basis of the observed density variations, it is possible to determine what kind of ejection takes place (a single ejection or that around an orbital arch); and (3) The original structure of the Geminids cross section persists for no more than 1,500 to 2,000 years.

Belkovich, O. I.↗

NASA NTRSDate not supplied

Probing the Sun with Imaging Spectrographs

EUV and X-ray images of the Sun have revolutionized our understanding of our closest star. With them, we can probe the morphology and temperature structure of the solar atmosphere and see how they evolve as a function of space and time. However, image data cannot be used to determine line-of-sight velocities, abundances, or densities. This information is required to calculate the energy budget of eruptive events, provide boundary conditions for global solar models, and explore fundamental processes occurring in the solar atmosphere. For those diagnostics, we require spectroscopy. Because the structures on the Sun are extended sources, most modern-day spectrographs observe the Sun through long narrow slits. Two-dimensional, spectrally pure solar images with velocity, abundance, and density information are built up by stepping the slit over regions of interest. This mode of operation implies that two-dimensional information is highly limited by cadence and the temporal evolution and spatial structure of these parameters can never be truly separated. Both spatial and spectral information can be obtained in a single snapshot with slitless spectrographs, which were often used in the 1950-1970s, but were abandoned due to the difficulty of unfolding the overlapping spatial and spectral information. Thanks to advances in computer processing speeds and machine learning algorithms, there have been several techniques developed to complete the spatial/spectral unfolding, unlocking the full capability of slitless spectrographs for solar observations. The goal of this talk is to give a broad overview of the capability of such instruments and demonstrate their usefulness in the next decade of solar observatories and beyond.

Amy Winebarger↗

DOE OSTI2025

From genes to function: regulation, maturation, and evolution of cytochrome c nitrite reductase in nitrate reduction to ammonium

ABSTRACT The dissimilatory nitrate reduction to ammonium pathway converts nitrate to ammonium, a vital reaction in the global nitrogen cycle. The second step of the pathway is performed by cytochromecnitrite reductase (NrfA), a soluble, periplasmic cytochrome responsible for the reduction of nitrite to ammonium. The pentaheme NrfA catalyzes this six-electron and eight-proton reduction of nitrite at a single active site with the help of its quinol oxidase partners. In this review, we discuss our current understanding of (i) the structure, homology, and evolution of both NrfA and its redox partners, (ii) the regulation of thenrfoperon, and (iii) the maturation of NrfA proteins via unique cytochrome maturation pathways.

Biotechnology & Applied Microbiology↗

DOE OSTI2025

Probing Carbon Mineralization Mechanisms in Pore and Bulk Fluids by Harnessing Architected Calcium Silicates

The ability to synthesize materials with well-controlled pore structures gives us unprecedented control over probing fluid interactions with reactive interfaces and advancing calibrated insights into coupled chemo-morphological interactions. One of the primary challenges in developing crystalline silicate materials lies in achieving ordered pore structures. Existing approaches of producing amorphous mesoporous metal silicates via sol–gel methods and heat-treatment of these materials to produce crystalline phases cause the pore structures in the amorphous phases to collapse. To overcome this challenge, carbon coating of amorphous mesoporous calcium silicate particles is carried out to retain the pore structure, while the material is heated to produce crystalline calcium silicate with calcium sulfate inclusions. The pore diameter in these materials is about 3.9 nm, with a surface area and a pore volume of 28.75 m 2 /g and 0.092 cm 2 /g, respectively. The mechanisms of carbon mineralization are investigated by reacting architected calcium silicate with 1 M Na 2 CO 3 and monitoring the evolution in the structural phases using operando wide-angle X-ray scattering (WAXS) measurements. Formation of stable calcium carbonate polymorph or calcite and metastable calcium carbonate polymorph or vaterite in pore and bulk fluids, respectively, resulting from the reaction between Na 2 CO 3 and CaSiO 3 , are noted. The mechanisms associated with carbon mineralization are delineated using ReaxFF molecular dynamics (MD) simulations. The surface dissolution reaction is initiated by 2H + ions that replace a Ca 2+ ion in the Ca–silicate matrix. Ca 2+ ions in the solution initially react with water to form calcium hydroxide and eventually form calcium (bi)carbonate. A slow and gradual increase in the formation of sodium silicate in the solution resulting from the reactions of silicic acid or the silicon dioxide reaction with sodium hydroxide is noted. When carbon mineralization occurs in environments bearing interfacial fluids, calcite is the dominant calcium carbonate polymorph, as determined using experiments with pore fluids and molecular-scale simulations. In conclusion, these studies provide fundamental insights into the mechanisms underlying the carbon mineralization of calcium silicate informed by experiments and molecular-scale simulations.

Calcium↗