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At least 793 records · Page 44

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DOE OSTI2021

The effect of entrance flow development on vortex formation and wall shear stress in a curved artery model

In this work, we numerically investigate the effect of entrance condition on the spatial and temporal evolution of multiple three-dimensional vortex pairs and the wall shear stress distribution in a curved artery model. We perform this study using a Newtonian blood-analog fluid subjected to a pulsatile flow with two inflow conditions. The first flow condition is fully developed while the second condition is undeveloped (i.e., uniform). We discuss the connection along the axial direction between regions of organized vorticity observed at various cross sections of the model and compare results between the different entrance conditions. We model a human artery with a simple, rigid 180° curved pipe with a circular cross section and constant curvature, neglecting the effects of taper, torsion, and elasticity. Numerical results are computed from a discontinuous high-order spectral element flow solver. The flow rate used in this study is physiological. We observe differences in secondary flow patterns, especially during the deceleration phase of the physiological waveform where multiple vortical structures of both Dean-type and Lyne-type coexist. The results indicate that decreased axial velocities under an undeveloped condition produce smaller secondary flows that ultimately inhibit growth of any interior flow vortices. We highlight the effect of the entrance condition on the formation of these structures and subsequent appearance of abnormal inner wall shear stresses, which suggest there may be a lower prevalence of cardiovascular disease in curved arteries where the flow is rather undeveloped—a potentially physiologically significant result to help understand the influence of blood flow development on disease.

60 APPLIED LIFE SCIENCES↗

NASA NTRS2004

Model-Based Engineering Design for Trade Space Exploration throughout the Design Cycle

This paper presents ongoing work to standardize model-based system engineering as a complement to point design development in the conceptual design phase of deep space missions. It summarizes two first steps towards practical application of this capability within the framework of concurrent engineering design teams and their customers. The first step is standard generation of system sensitivities models as the output of concurrent engineering design sessions, representing the local trade space around a point design. A review of the chosen model development process, and the results of three case study examples, demonstrate that a simple update to the concurrent engineering design process can easily capture sensitivities to key requirements. It can serve as a valuable tool to analyze design drivers and uncover breakpoints in the design. The second step is development of rough-order- of-magnitude, broad-range-of-validity design models for rapid exploration of the trade space, before selection of a point design. At least one case study demonstrated the feasibility to generate such models in a concurrent engineering session. The experiment indicated that such a capability could yield valid system-level conclusions for a trade space composed of understood elements. Ongoing efforts are assessing the practicality of developing end-to-end system-level design models for use before even convening the first concurrent engineering session, starting with modeling an end-to-end Mars architecture.

models↗

DOE OSTI2026

A novel xylosylated fucoglucuronan in Penium reveals structural parallels to rhamnogalacturonan-I and its broad evolutionary footprint in lower plants

Green algae inhabit aquatic environments across the planet and play a crucial role in sustaining the global ecosystem. Ancestors of some Charophytes adapted to terrestrial conditions and eventually evolved into land plants. Extant green algae have inherited traits from their ancestors and evolved into their current morphological and chemical forms, as reflected by their cell walls with distinct shapes and compositions. To illuminate the evolution of plant cell walls and bridge the gap between green algae and land plants, we investigated the charophyte Penium margaritaceum, a close relative of terrestrial plants. We discovered a previously unknown polysaccharide in both its culture medium and cell wall. This polysaccharide, termed xylosylated fucoglucuronan (XFG), possesses a rhamnogalacturonan-I (RG-I)-like backbone composed of repeating [-3-α-Fucp-(1,4)-α-GlcpA-] disaccharides that are extensively xylosylated and acetylated. Surveying approximately 20 non-vascular plants revealed that XFG and RG-I (or related structures) first emerge in certain Chlorophyceae and subsequently co-occur throughout lineages along the evolutionary trajectory to bryophytes, thereby bridging aquatic green algae to early land plants. The striking structural parallels between XFG, RG-I, and ulvan suggest a shared evolutionary origin, offering new insight into how plant cell walls adapted during the transition from marine to freshwater environments and ultimately to land.

Algae↗

DOE OSTI2021

All-inorganic halide perovskites as candidates for efficient solar cells

Not Available

14 SOLAR ENERGY↗

DOE OSTI2021

Minimizing hydrogen vacancies to enable highly efficient hybrid perovskites

Defect-induced non-radiative losses are currently limiting the performance of hybrid perovskite devices. Experimental reports have indicated the existence of point defects that act as detrimental non-radiative recombination centres under iodine-poor synthesis conditions. However, the microscopic nature of these defects is still unknown. Here we demonstrate that hydrogen vacancies can be present in high densities under iodine-poor conditions in the prototypical hybrid perovskite MAPbI 3 (MA = CH 3 NH 3 ). They act as very efficient non-radiative recombination centres with an exceptionally high carrier capture coefficient of 10 –4 cm 3 s –1 . By contrast, the hydrogen vacancies in FAPbI 3 [FA = CH(NH 2 ) 2 ] are much more difficult to form and have a capture coefficient that is three orders of magnitude lower. Our study unveils the critical but overlooked role of hydrogenvacancies in hybrid perovskites and rationalizes why FA is essential for realizing high efficiency in hybrid perovskite solar cells. Furthermore, minimizing the incorporation of hydrogen vacancies is key to enabling the best performance of hybrid perovskites.

14 SOLAR ENERGY↗

NASA NTRS1975

Space shuttle orbital maneuvering engine platelet injector program

A platelet face injector for the Orbit Maneuvering Engine (OME) on the space shuttle was evaluated as a means of obtaining additional design margin and lower cost. The program was conducted in three phases. The first phase evaluated single injection elements, or unielements; it involved visual flow studies, mixing experiments using propellant simulants, and hot firings to assess combustion efficiency, chamber wall compatibility, and injector face temperatures. In the second phase, subscale units producing 600 lbf thrust were used to further evaluate the orifice patterns chosen on the basis of unielement testing. In addition to combustion efficiency, chamber and injector heat transfer, the subscale testing provided a preliminary indication of injector stability. Full scale testing of the selected patterns at 6,000 lbf thrust was performed in the third phase. Performance, heat transfer, and combustion stability were evaluated over the anticipated range of OMS operating conditions. The effects on combustion stability of acoustic cavity configuration, including cavity depth, open area, inlet contour, and other parameters, were investigated.

Source record↗

NASA NTRS1982

The design and technology development for A 150 mlb resistojet for H2 or NH3

A 150 mlb thrust level hybrid resistojet which may operate on either H2 or NH3 is described whose design technique allows temperature distribution forecasting by means of a microcomputer-implemented mathematical model. The longer computer run times that accompany the exclusive use of BASIC, relative to assembled languages, are offset by the flexibility offered and the reduction of reprogramming and debugging efforts. The integration of a compact first-stage coiled heater with a concentric tubular gas heater offers direct matching of the 28 V terminal of the spacecraft system, while keeping maximum heater wall temperatures to less than 60 K over that of the gas temperature at the throat. Among the novel materials employed are grain-stabilized rhenium for heating elements and high purity aluminas for insulators.

Page, R. J.↗

NASA NTRS1987

Part 2: Sedimentary geology of the Valles, Marineris, Mars and Antarctic dry valley lakes

Detailed mapping of the layered deposits in the Valles Marineris, Mars from high-resolution Viking orbiter images revealed that they from plateaus of rhythmically layered material whose bases are in the lowest elevations of the canyon floors, and whose tops are within a few hundred meters in elevation of the surrounding plateaus. Four hypotheses for the origin of the layered deposits were considered: that they are eolian deposits; that they are remnants of the same material as the canyon walls; that they are explosive volcanic deposits; or that they were deposited in standing bodies of water. There are serious morphologic objections to each of the first three. The deposition of the layered deposits in standing bodies of water best explains their lateral continuity, horizontality, great thickness, rhythmic nature, and stratigraphic relationships with other units within the canyons. The Martian climatic history indicated that any ancient lakes were ice covered. Two methods for transporting sediment through a cover of ice on a martian lake appear to be feasible. Based on the presently available data, along with the theoretical calculations presented, it appears most likely that the layered deposits in the Valles Marineris were laid down in standing bodies of water.

Nedell, Susan S.↗

NASA NTRS1988

Application of empirical and linear methods to VSTOL powered-lift aerodynamics

Available prediction methods applied to problems of aero/propulsion interactions for short takeoff and vertical landing (STOVL) aircraft are critically reviewed and an assessment of their strengths and weaknesses provided. The first two problems deal with aerodynamic performance effects during hover: (1) out-of-ground effect, and (2) in-ground effect. The first can be evaluated for some multijet cases; however, the second problem is very difficult to evaluate for multijets. The ground-environment effects due to wall jets and fountain flows directly affect hover performance. In a related problem: (3) hot-gas ingestion affects the engine operation. Both of these problems as well as jet noise affect the ability of people to work near the aircraft and the ability of the aircraft to operate near the ground. Additional problems are: (4) the power-augmented lift due to jet-flap effects (both in- and out-of-ground effects), and (5) the direct jet-lift effects during short takeoff and landing (STOL) operations. The final problem: (6) is the aerodynamic/propulsion interactions in transition between hover and wing-borne flight. Areas where modern CFD methods can provide improvements to current computational capabilities are identified.

Margason, Richard↗

NASA NTRS1988

Application of empirical and linear methods to VSTOL powered-lift aerodynamics

Margason, Richard↗

NASA NTRS1989

Turbomachinery shaft insert

An insert is presented for a hollow rotatable shaft on the end of which an impeller is mounted, the insert having a first cylindrical portion receivable within the end of the shaft. The insert includes a radially extending portion adjacent the end of the shaft having an annular wall including radially inner and outer surfaces for engaging tightly similar surfaces in a recess formed in the impeller to provide inner and outer pilot surfaces. The insert also includes a tubular extension which is received within a bore in the impeller, the tubular extension having spaced longitudinally extending slits for permitting the extension together with radially extending hook-like tongues thereon to be received within radial slots in the bore of the impeller to lock the impeller to the insert.

Vonpragenau, George L.↗

NASA NTRS1989

Pressure drop and mass transfer in two-pass ribbed channels

The combined effects of the sharp 180-deg turn and of the rib configuration on the pressure drop and mass transfer characteristics in a two-pass square channel with a pair of opposite rib-roughened walls (to simulate turbine airfoil cooling passages) were determined for a Reynolds number range of 10,000-60,000. Heat transfer enhancements were compared for the first pass and for the two-pass channel with the sharp 180-deg turn. Correlations for the fully-developed friction factors and loss coefficients were obtained.

Chandra, P. R.↗

NASA NTRS1992

BLSTA: A boundary layer code for stability analysis

A computer program is developed to solve the compressible, laminar boundary-layer equations for two-dimensional flow, axisymmetric flow, and quasi-three-dimensional flows including the flow along the plane of symmetry, flow along the leading-edge attachment line, and swept-wing flows with a conical flow approximation. The finite-difference numerical procedure used to solve the governing equations is second-order accurate. The flow over a wide range of speed, from subsonic to hypersonic speed with perfect gas assumption, can be calculated. Various wall boundary conditions, such as wall suction or blowing and hot or cold walls, can be applied. The results indicate that this boundary-layer code gives velocity and temperature profiles which are accurate, smooth, and continuous through the first and second normal derivatives. The code presented herein can be coupled with a stability analysis code and used to predict the onset of the boundary-layer transition which enables the assessment of the laminar flow control techniques. A user's manual is also included.

Wie, Yong-Sun↗

NASA NTRS1990

Navier-Stokes computation of compressible turbulent flows with a second order closure, part 1

A second order closure turbulence model for compressible flows is developed and implemented in a 2D Reynolds-averaged Navier-Stokes solver. From the beginning where a kappa-epsilon turbulence model was implemented in the bidiagonal implicit method of MACCORMACK (referred to as the MAC3 code) to the final stage of implementing a full second order closure in the efficient line Gauss-Seidel algorithm, numerous work was done, individually and collectively. Besides the collaboration itself, the final product of this work is a second order closure derived from the Launder, Reece, and Rodi model to account for near wall effects, which has been called FRAME model, which stands for FRench-AMerican-Effort. During the reporting period, two different problems were worked out. The first was to provide Ames researchers with a reliable compressible boundary layer code including a wide collection of turbulence models for quick testing of new terms, both in two equations and in second order closure (LRR and FRAME). The second topic was to complete the implementation of the FRAME model in the MAC5 code. The work related to these two different contributions is reported. dilatation in presence of stron shocks. This work, which has been conducted during a work at the Center for Turbulence Research with Zeman aimed also to cros-check earlier assumptions by Rubesin and Vandromme.

Haminh, Hieu↗

NASA NTRS2012

A Volcanic Origin for Sinuous and Branching Channels on Mars: Evidence from Hawaiian Analogs

Observations of sinuous and branching channels on planets have long driven a debate about their origin, fluvial or volcanic processes. In some cases planetary conditions rule out fluvial activity (e.g. the Moon, Venus, Mercury). However, the geology of Mars leads to suggestions that liquid water existed on the surface in the past. As a result, some sinuous and branching channels on Mars are cited as evidence of fluvial erosion. Evidence for a fluvial history often focuses on channel morphologies that are unique from a typical lava channel, for instance, a lack of detectable flow margins and levees, islands and terraces. Although these features are typical, they are not necessarily diagnostic of a fluvial system. We conducted field studies in Hawaii to characterize similar features in lava flows to better define which characteristics might be diagnostic of fluvial or volcanic processes. Our martian example is a channel system that originates in the Ascraeus Mons SW rift zone from a fissure. The channel extends for approx.300 km to the SE/E. The proximal channel displays multiple branches, islands, terraces, and has no detectable levees or margins. We conducted field work on the 1859 and 1907 Mauna Loa flows, and the Pohue Bay flow. The 51-km-long 1859 Flow originates from a fissure and is an example of a paired a a and pahoehoe lava flow. We collected DGPS data across a 500 m long island. Here, the channel diverted around a pre-existing obstruction in the channel, building vertical walls up to 9 m in height above the current channel floor. The complicated emplacement history along this channel section, including an initial a a stage partially covered by pahoehoe overflows, resulted in an appearance of terraced channel walls, no levees and diffuse flow margins. The 1907 Mauna Loa flow extends > 20 km from the SW rift zone. The distal flow formed an a a channel. However the proximal flow field comprises a sheet that experienced drainage and sagging of the crust following the eruption. The lateral margins of the proximal sheet, past which all lava flowed to feed the extensive channel, currently display a thickness of < 20 cm. Were this area covered by a dust layer, as is the Tharsis region on Mars, the margins would be difficult to identify. The Pohue Bay flow forms a lava tube. Open roof sections experienced episodes of overflow and spill out. In several places the resultant surface flows appear to have moved as sheet flows that inundated the preexisting meter scale features. Here the flows developed pathways around topographic highs, and in so doing accreted lava onto those features. The results are small islands within the multiple branched channels that display steep, sometimes overhanging walls. None of these features alone proves that the martian channel networks are the result of volcanic processes, but analog studies such as these are the first step towards identifying which morphologies are truly diagnostic of fluvial and volcanic channels.

Bleacher, Jacob E.↗

NASA NTRS2014

Towards Co-evolution of Membrane Transport and Metabolism

Protocellular boundaries were inextricably connected to the metabolism they encapsulated: to be inheritable, early metabolism must have led to an increased rate of growth and division of vesicles and, similarly, transport through vesicle boundaries must have supported the evolution of metabolism. Even though explaining how this coupling emerged and evolved in the absence of the complex machinery of modern cells is one of the key issues in studies on the origin of life, little is known about the biochemical and biophysical processes that might have been involved. This gap in our knowledge is a major impediment in efforts to construct scenarios for the origin of life and laboratory models of protocells. A combination of experimental and computational studies carried out by us and our collaborators is aimed at helping to close this gap. Properties of membranes might have contributed to the selection of RNA as an early biopolymer. A kinetic mechanism was proposed (Sacerdote & Szostak, 2005) in which ribose was supplied more quickly than other aldopentoses to primordial cells for preferential incorporation of ribonucleotides into nucleic acids. This proposal is based on a finding that ribose permeates membranes an order of magnitude faster than its diastereomers, arabinose and xylose. Our computer simulations, which yield permeation rates in excellent agreement with experiment, and kinetic modeling explain this phenomenon in terms of inter- and intramolecular interactions involving exocyclic hydroxyl groups attached to carbon atoms of the pyranose ring (Wei and Pohorille, 2009). They also constrain scenarios for the formation of the earliest nucleic acids (Wei and Pohorille, 2013). In one scenario, sugars permeate protocellular walls and subsequently are used to synthesize nucleic acids inside protocells. As long as this process proceeds at the rate faster than 6x10(exp -3)/s, ribose derivatives will be available for synthesis easier than their diastereomers. If nucleosides or their activated derivatives are synthesized outside protocells and subsequently transported across protocellular membranes the kinetic mechanism does not apply because all diastereomers, which have their sugars in the furanose rather than pyranose form, permeate the membrane at approximately the same rate. Properties of membranes might have been also coupled to metabolism involving peptides. Recently, Adamala and Szostak (2013) have shown that a dipeptide inside fatty-acid vesicles catalyzes the formation of another dipeptide that binds to vesicle walls and, by doing so, promotes their growth at the expense of other vesicles. This coupling of metabolism, permeability of vesicles and their growth is the first demonstration of evolutionary advantage imparted by small, membrane-bound peptides. Building on this work we have calculated the rate at which different blocked amino acids are delivered to a protocell for synthesis of dipeptides. We have further shown that the dipeptides are located at the water-membrane interface rather than in the center of the bilayer. On these basis it is anticipated that other dipeptides containing aromatic, but not necessarily hydrophobic amino acids (e.g. tyrosine) could have the same catalytic effects. Insight from these studies allows for estimating the rate of vesicle growth and the rates of dipeptide synthesis required to keep the system in balance. These results, in combination with our earlier studies, lead to a general scenario for evolution from membrane-bound dipeptides to ion channels in the origin of life.

Metabolism↗

DOE OSTI2020

Radiative capture rates at deep defects from electronic structure calculations

We present a methodology to calculate radiative carrier capture coefficients at deep defects in semiconductors and insulators from first principles. Electronic structure and lattice relaxations are accurately described with hybrid density functional theory. Calculations of capture coefficients provide an additional validation of the accuracy of these functionals in dealing with localized defect states. We also discuss the validity of the Condon approximation, showing that even in the event of large lattice relaxations the approximation is accurate. We test the method on GaAs:VGa-TeAs and GaN:CN, for which reliable experiments are available, and demonstrate very good agreement with measured capture coefficients.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Self-Assembled Bolaamphiphile-Based Organic Nanotubes as Efficient Cu(II) Ion Adsorbents

Self-assembled organic nanotubes (ONTs) have been actively examined for various applications such as chemical separations and catalysis owing to their well-defined tubular nanostructures with distinct chemical environments at the wall and internal/external surfaces. Adsorption of heavy metal ions onto ONTs plays an essential role in many of these applications, but it has rarely been assessed quantitatively. Herein, we investigated interactions between Cu 2+ and single-/quadruple-wall bolaamphiphile-based ONTs having inner carboxyl groups with different inner diameters, COOH-ONT 10nm and COOH-ONT 20nm . We first examined the effects of Cu 2+ on their nanotubular structures using SAXS, STEM, and AFM. COOH-ONT 10nm was stable in aqueous Cu 2+ solution in contrast to COOH-ONT 20nm owing to the presence of polyglycine-II-type hydrogen bonding networks within its wall. Subsequently, we studied the Cu 2+ adsorption behavior of COOH-ONT 10nm by monitoring the concentration of unbound Cu 2+ using linear sweep anodic stripping voltammetry. The Cu 2+ adsorption was quick, attributable to efficient Cu 2+ partitioning through the open ends of the ONT, followed by fast Cu 2+ diffusion in the uniform, relatively large nanochannel. More importantly, the Cu 2+ adsorption capacity and affinity of COOH-ONT 10nm were measured at different pH using the Langmuir adsorption model. The adsorption capacity was similar at the pH range examined, showing the participation of approximately 25% of the inner carboxyl groups in the adsorption. The adsorption affinity increased with pH, indicating the essential role of the deprotonated carboxyl groups in the Cu 2+ adsorption. Most interestingly, the Langmuir adsorption constant was significantly higher than those of previously reported synthetic adsorbents and planar monolayer based on carboxyl binding sites. The high Cu 2+ affinity of the ONT was attributable to the highly dense binding sites on the well-defined nanoscale concave structure of the inner channel. Furthermore, these results provide a valuable guideline to designing self-assembled nanomaterials for efficient chemical separations, detection, and catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗