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At least 91 records · Page 5

Robust and tunable oxide nanoscrolls for solar-driven H 2 generation and storage

Hydrogen gas is a promising alternative to fossil fuels due to its high energy output and environmentally safe byproducts. Various morphologies of photocatalytic materials have been explored for high-efficiency H 2 production, for instance, quasi-1D nanoscroll structures that provide a larger surface-to-volume ratio. Recently, we predicted layer-by-layer formation of stable oxide nanoscrolls directly from dichalcogenide precursors, eliminating the need for costly formation of two-dimensional oxides for a roll-up synthesis of nanoscrolls. Here, in this study, we evaluate the suitability of those oxide nanoscroll materials—MoO 3 , WO 3 , PdO 2 , HfO 2 , and GeO 2 —for solar-driven photocatalytic H 2 production and storage. Using excited state theory coupled with Bethe–Salpeter equation simulations, we discern their electronic and optical properties as a function of interlayer scroll spacing and find them to be highly conducive for solar-driven photocatalysis. Additionally, using ab initio molecular dynamics simulations, we show that they are also suitable for H 2 storage as the nanoscrolls exhibit an effective trapping of hydrogen, even in the presence of defects and vacancies in the oxides. This work thus demonstrates the discovery of robust and tunable oxide nanoscrolls as materials for advancing solar-driven hydrogen technologies.

Chemical compounds↗

Discovery and observation of BY Draconis variables

The discovery of BY Draconis variables was efficiently accomplished by a spectroscopic survey of dK-M stars for weak H-alpha emissions, using 1-2 A resolution. The four BY Dra variables discovered are all spectroscopic binaries with P values lower than about 10 d, in light of which, it is noted that the onset of high surface activity and appearance of H-alpha emission occur sharply at v(equator) of approximately 5 km/sec. At v(equator) of about 3 km/sec, dK-M stars have low levels of surface activity. It is found that while there is a range of Ca II emission strength, and only the strongest emitters of this line are BY Dra and/or flare stars, the H-alpha feature changes abruptly to an emission feature signaling the onset of flaring and/or the BY Dra syndrome. An increase of the rotation rate above v(equator) 5 km/sec does not appear to increase the level of surface activity.

Bopp, B. W.↗

Energy partitioning in the Io plasma torus

The Io plasma torus, which emits substantial amounts of EUV radiation from multiply ionized oxygen and sulfur, represents one of the significant discoveries of the Voyager 1 mission. The present study is concerned with the effects of various physical processes on the density and energy partitioning of the Io plasma torus. For the ions the dominant effects, which have different relative importance in different parameter regimes, are electron impact ionization, charge exchange, electron-ion collisions, and confinement time loss. Attention is given to a physical model, the solution of the quasi-linear equations, the obtained results, and an interpretation of observations in relation to the model results.

Smith, R. A.↗

Characterization of partial wetting by CMAS droplets using multiphase many-body dissipative particle dynamics and data-driven discovery based on PINNs

The molten sand that is a mixture of calcia, magnesia, alumina and silicate, known as CMAS, is characterized by its high viscosity, density and surface tension. The unique properties of CMAS make it a challenging material to deal with in high-temperature applications, requiring innovative solutions and materials to prevent its buildup and damage to critical equipment. Here, we use multiphase many-body dissipative particle dynamics simulations to study the wetting dynamics of highly viscous molten CMAS droplets. The simulations are performed in three dimensions, with varying initial droplet sizes and equilibrium contact angles. We propose a parametric ordinary differential equation (ODE) that captures the spreading radius behaviour of the CMAS droplets. The ODE parameters are then identified based on the physics-informed neural network (PINN) framework. Subsequently, the closed-form dependency of parameter values found by the PINN on the initial radii and contact angles are given using symbolic regression. Finally, we employ Bayesian PINNs (B-PINNs) to assess and quantify the uncertainty associated with the discovered parameters. In brief, this study provides insight into spreading dynamics of CMAS droplets by fusing simple parametric ODE modelling and state-of-the-art machine-learning techniques.

Mechanics↗

Alluvial Fans on Mars

Moore and Howard [1] reported the discovery of large alluvial fans in craters on Mars. Their initial survey from 0-30 S found that these fans clustered in three distinct regions and occurred at around the +1 km MOLA defined Mars datum. However, due to incomplete image coverage, Moore and Howard [1]could not conduct a comprehensive survey. They also recognized, though did not quantitatively address, gravity scaling issues. Here, we briefly discuss the identification of alluvial fans on Mars, then consider the general equations governing the deposition of alluvial fans and hypothesize a method for learning about grain size in alluvial fans on Mars.

Kraal, E. R.↗

Machine-assisted discovery of integrable symplectic mappings

Integrable systems possess a hidden symmetry associated with the existence of conserved quantities known as integrals of motion. These systems play an important role in understanding general dynamics in accelerators and have potential for future designs. This work will cover two automated methods for finding integrable symplectic maps of the plane. The first algorithm is based on the observation that the evolution of an integrable system in phase space is confined to a lower-dimensional submanifold of a specific type. The second algorithm relies on an analysis of dynamical variables. Both methods rediscover some of the famous McMillan-Suris integrable mappings and ultra-discrete Painlev\'e equations. Over 100 new integrable families are presented and analyzed, some of which are isolated in the space of parameters, while others are families with one parameter (or the ratio of parameters) being either continuous or discrete. In addition, the newly discovered maps are related to a general 2D symplectic map through the use of discrete perturbation theory. A method is proposed for constructing smooth near-integrable dynamical systems based on mappings with polygon invariants.

43 PARTICLE ACCELERATORS↗

Machine-Assisted Discovery of Integrable Symplectic Mappings

Integrable systems possess a hidden symmetry associated with the existence of conserved quantities known as integrals of motion. These systems play an important role in understanding general dynamics in accelerators and have potential for future designs. This work will cover two automated methods for finding integrable symplectic maps of the plane. The first algorithm is based on the observation that the evolution of an integrable system in phase space is confined to a lower-dimensional submanifold of a specific type. The second algorithm relies on an analysis of dynamical variables. Both methods rediscover some of the famous McMillan-Suris integrable mappings and ultra-discrete Painlev\'e equations. Over 100 new integrable families are presented and analyzed, some of which are isolated in the space of parameters, while others are families with one parameter (or the ratio of parameters) being either continuous or discrete. In addition, the newly discovered maps are related to a general 2D symplectic map through the use of discrete perturbation theory. A method is proposed for constructing smooth near-integrable dynamical systems based on mappings with polygon invariants.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Data-driven discovery of dynamics from time-resolved coherent scattering

Coherent X-ray scattering (CXS) techniques are capable of interrogating dynamics of nano- to mesoscale materials systems at time scales spanning several orders of magnitude. However, obtaining accurate theoretical descriptions of complex dynamics is often limited by one or more factors—the ability to visualize dynamics in real space, computational cost of high-fidelity simulations, and effectiveness of approximate or phenomenological models. In this work, we develop a data-driven framework to uncover mechanistic models of dynamics directly from time-resolved CXS measurements without solving the phase reconstruction problem for the entire time series of diffraction patterns. Our approach uses neural differential equations to parameterize unknown real-space dynamics and implements a computational scattering forward model to relate real-space predictions to reciprocal-space observations. This method is shown to recover the dynamics of several computational model systems under various simulated conditions of measurement resolution and noise. Moreover, the trained model enables estimation of long-term dynamics well beyond the maximum observation time, which can be used to inform and refine experimental parameters in practice. Finally, we demonstrate an experimental proof-of-concept by applying our framework to recover the probe trajectory from a ptychographic scan. Our proposed framework bridges the wide existing gap between approximate models and complex data.

36 MATERIALS SCIENCE↗

Binary Black Holes, Gravitational Waves, and Numerical Relativity

This viewgraph presentation reviews the massive black hole (MBH) binaries that are found at the center of most galaxies, "astronomical messenger", gravitational waves (GW), and the use of numerical relativity understand the features of these phenomena. The final merger of two black holes releases a tremendous amount of energy and is one of the brightest sources in the gravitational wave sky. Observing these sources with gravitational wave detectors requires that we know the radiation waveforms they emit. Since these mergers take place in regions of very strong gravitational fields, we need to solve Einstein's equations of general relativity on a computer in order to calculate these waveforms. For more than 30 years, scientists have tried to compute these waveforms using the methods of numerical relativity.. This talk will take you on this quest for the holy grail of numerical relativity, showing how a spacetime is constructed on a computer to build a simulation laboratory for binary black hole mergers. We will focus on the recent advances that are revealing these waveforms, and the dramatic new potential for discoveries that arises when these sources will be observed by LIGO and LISA.

Centrella, Joan↗

Tidal interaction: A possible explanation for geysers and other fluid phenomena in the Neptune-Triton system

Discovery of geyser-like plumes on the surface of Triton was a highlight of Voyager 2's passage through the Neptune planetary system. Remarkable as these observations were, they were not entirely without precedent. Considering the confirmed predictions for the 1979 Voyager Jovian passage, it was logical to consider other solar system bodies beside Io where tidal effects could be a significant factor in surface processes. It was our intuition that the Neptune-Triton gravitational bond acting at high inclination to the Neptune equator and the fact that Neptune was a fluid body was significant oblateness would produce tidal and mechanical forces that could be transformed into thermal energy vented on Triton's surface. Prior to the Voyager flyby, others have noted that capture and evolution of Triton's orbit from extreme eccentricity to near circular state today would have resulted in significant tidal heating, but these analysts disregard current day forces. Our calculations indicate that the time varying forces between Neptune-Triton fall midway between those exerted in the Earth-Moon and Jupiter-Io systems, and considering the low level of other energy inputs, this source of internal energy should not be ignored when seeking an explanation for surface activity. In each planet-satellite case, residual or steady-state eccentricity causes time-varying stresses on internal satellite strata. In the case of Jupiter the residual eccentricity is due largely to Galilean satellite interactions, particularly Io-Europa, but in the case of Neptune-Triton, it is the effect of Triton's inclined orbit about an oblate primary.

Kelly, W. D.↗

Discovery of a magnetic DA white dwarf

The spectrum of the white dwarf suspect, GD 90, is shown to contain broad Balmer lines with resolved Zeeman structure. All the observed features correspond to the calculated spectrum of hydrogen at 5 plus or minus 0.5 MG. A region of approximately 20% of the observed stellar disk must be subject to a reasonably uniform field of this strength. The sigma components of the Zeeman patterns in H beta and H gamma are found to be circularly polarized, indicating that the field has a component directed along the line of sight. There is evidence for an additional stronger and less homogeneous field, as would be expected if the dominant 5 -MG region were at the equator of a dipolar field.

Angel, J. R. P.↗

The Pursuit of K: Reflections on the Current State-of-the-Art in Stress Intensity Factor Solutions for Practical Aerospace Applications

The elastic stress intensity factor (SIF, commonly denoted as K) is the foundation of practical fracture mechanics (FM) analysis for aircraft structures. This single parameter describes the first-order effects of stress magnitude and distribution as well as the geometry of both structure/component and crack. Hence, the calculation of K is often the most significant step in fatigue analysis based on FM. This presentation will provide several reflections on the current state-of-the-art in SIF solution methods used for practical aerospace applications, including a brief historical perspective, descriptions of some recent and ongoing advances, and comments on some remaining challenges. Newman and Raju made significant early contributions to practical structural analysis by developing closed-form SIF equations for surface and corner cracks in simplified geometries, often based on empirical fits of finite element (FE) solutions. Those solutions (and others like them) were sometimes revised as new analyses were conducted or limitations discovered. The foundational solutions have exhibited striking longevity, despite the relatively "coarse" FE models employed many decades ago. However, in recent years, the accumulation of different generations of solutions for the same nominal geometry has led to some confusion (which solution is correct?), and steady increases in computational capabilities have facilitated the discovery of inaccuracies in some (not all!) of the legacy solutions. Some examples of problems and solutions are presented and discussed, including the challenge of maintaining consistency with legacy design applications. As computational power has increased, the prospect of calculating large numbers of SIF solutions for specific complex geometries with advanced numerical methods has grown more attractive. Fawaz and Andersson, for example, have been generating literally millions of new SIF solutions for different combinations of multiple cracks under simplified loading schemes using p-version FE methods. These data are invaluable, but questions remain about their practical use, because the tabular databases of key results needed to support practical life analysis can occupy gigabytes of storage for only a few classes of geometries. The prospect of using such advanced numerical methods to calculate in real time only those K solutions actually needed to support a specific crack growth analysis is also tempting, but the stark reality is that the computational cost is still so high that the approach is not practical except for specific, critical application problems. Some thoughts are offered about alternative paradigms. Compounding approaches are some of the earliest building blocks of SIF development for more complex geometries. These approaches are especially attractive because of their very low computational cost and their conceptual robustness; they are, in some ways, an intriguing contrast and complement to the brute-force numerical methods. In recent years, researchers at NRC-Canada have published remarkable results showing how compounding approaches can be used to generate accurate solutions for very difficult problems. Examples are provided of some successes--and some limitations--using this approach. These closed-form, tabulated numerical, and compounding approaches have typically been used for simple remote loading with simple load paths to the crack. However, many significant cracks occur in complex stress gradient fields. This is a job for weight function (WF) methods, where the arbitrary stress distribution on the crack plane in the corresponding uncracked body (typically determined using FE methods) is used to determine K. Several significant recent advances in WF methods and solutions are highlighted here. Fueled by advanced 3D numerical methods, many new solutions have been generated for classic geometries such as surface and corner cracks with wide ranges of geometrical validity. A new WF formulation has also be developed for part-through cracks considering the arbitrary stress gradients in all directions in the crack plane (so-called bivariant solutions). Basic WF methods have recently been combined with analytical expressions for crack plane stresses to develop a large family of accurate SIF solutions for corner, surface, and through cracks at internal or external notches with very wide ranges of shapes, sizes, acuities, and offsets. Finally, WF solutions are much faster than FE or boundary element solutions, but can still be much slower than simple closed-form solutions, especially for bivariant solutions that can require 2D numerical integration. Novel pre-integration and dynamic tabular methods have been developed that substantially increase the speed of these advanced WF solutions. The practical utility of advanced SIF methods, including both WF and direct numerical methods, is greatly enhanced if the FM life analysis can be directly and efficiently linked with digital models of the actual structure or component (e.g., FE models for stress analysis). Two recent advances of this type will be described. One approach directly interfaces the FM life analysis with the FE model of the uncracked component (including stress results). Through a powerful graphical user interface, simplified FM life models can be constructed (and visualized) directly on the component model, with the computer collecting the geometry and stress gradient information needed for the life calculation. An even more powerful paradigm uses expert logic to automatically build an optimum simple fracture model at any and every desired location in the component model, perform the life calculation, and even generate fatigue crack growth life contour maps, all with minimal user intervention. This paradigm has also been extended to the automatic calculation of fracture risk, considering uncertainty or variability in key input parameters such as initial crack size or location. Another new integrated approach links the engineering life analysis, the component model, and a 3D numerical fracture analysis built with the same component model to generate a table of SIF values at a specific location that can then be employed efficiently to perform the life calculation. Some attention must be given to verification and validation (V&V) issues and challenges: how good are these SIF solutions, how good is good enough, and does anyone believe the life answer? It is important to think critically about the different sources of error or uncertainty and to perform V&V in a hierarchal, building-block manner. Some accuracy issues for SIF solutions, for example, may actually involve independent material behavior issues, such as constraint loss effects for crack fronts near component surfaces, and can be a source of confusion. Recommendations are proposed for improved V&V approaches. This presentation will briefly but critically survey the range of issues and advances mentioned above, with a particular view towards assembling an integrated approach that combines different methods to create practical tools for real-world design and analysis problems. Examples will be selectively drawn from the recent literature, from recent enhancements in the NASGRO and DARWIN computer codes, and from previously unpublished research

CraigMcClung, R.↗

Technical Challenges of Drilling on Mars

In the last year, NASA's Mars science advisory committee (MEPAG: Mars Exploration Payload Advisory Group) has formally recommended that deep drilling be undertaken as a priority investigation to meet astrobiology and geology goals. This proposed new dimension in Mars exploration has come about for several reasons. Firstly, geophysical models of the martian subsurface environment indicate that we may well find liquid water (in the form of brines) under ground-ice at depths of several kilometers near the equator. On Earth we invariably find life forms associated with any environmental niche that supports liquid water. New data from the Mars Global Surveyor have shown that the most recent volcanism on Mars is very young so we cannot rule out contemporary volcanism -- in which case subsurface temperatures consistent with having water in its liquid phase may be found at relatively shallow depths. Secondly, in recent decades we have learned to our surprise that the Earth's subsurface (microbial) biosphere extends to depths of many kilometers and this discovery provides the basis for planning to explore the martian subsurface in search of ancient or even extant microbial life forms. We know (from Viking measurements) that all the biogenic elements (C, H, O, N, P, S) are available on Mars. What we therefore hope to learn is whether or not the evolution of life is inevitable given the necessary ingredients and, by implication, whether the Universe may be teeming with life. The feasibility of drilling deep into the surface of Mars has been the subject of increasing attention within NASA (and more recently among some of its international partners) for several years and this led to a broad-based feasibility study carried out by the Los Alamos National Laboratory and, subsequently, to the development of several hardware prototypes. This paper is intended to provide a general survey of that activity.

Briggs, Geoffrey↗

Shock-induced transformations in the system NaAlSiO4-SiO2 - A new interpretation

New internally consistent interpretations of the phases represented by the high pressure phase shock wave data for an albite-rich rock, jadeite, and nepheline in the system NaAlSiO4-SiO2, are obtained using the results of static high pressure investigations, and the recent discovery of the hollandite phase in a shocked meteorite. We conclude that nepheline transforms directly to the calcium ferrite structure, whereas albite transforms possibly to the hollandite structure. Shock Hugoniots for the other plagioclase and alkali feldspars also indicate that these transform to hollandite structures. The pressure-volume data at high pressure could alternatively represent the compression of an amorphous phase. Moreover, the shock Hugoniot data are expected to reflect the properties of the melt above shock stresses of 60-80 GPa. The third order Birch-Murnaghan equation of state parameters are given for the calcium ferrite type NaAlSiO4 and for albite-rich, orthoclase-rich, and anorthite-rich hollandites.

Sekine, Toshimori↗

ASM-Triggered Too Observations of Kilohertz Oscillations in Three Atoll Sources

Three Rossi Timing Explorer (RXTE) observations were carried out for this proposal based on target of opportunity triggers derived from the All-Sky Monitor (ASM) on RXTE. We obtained short observations of 4U1636-536 (15ks) and 4U1735-44 (23ks) and a longer observation of 4U0614+091 (117ks). Our analysis of our observations of the atoll neutron star x-ray binary 4U1735-44 lead to the discovery of a second high frequency quasiperiodic oscillation (QPO) in this source. These results were published in the Astrophysical Journal Letters. The data obtained on the source 4U0614+091 were used in a comprehensive study of this source, which will be published in the Astrophysical Journal. The data from this proposal were particularly critical for that study as they lead to the detection of the highest QPO frequency every found in the x-ray emission from an x-ray binary which will be important in placing limits on the equation of state of nuclear matter.

Kaaret, P.↗

Comparison of CFD Predictions with Shuttle Global Flight Thermal Imagery and Discrete Surface Measurements

Surface temperature measurements from the STS-119 boundary-layer transition experiment on the space shuttle orbiter Discovery provide a rare opportunity to assess turbulent CFD models at hypersonic flight conditions. This flight data was acquired by on-board thermocouples and by infrared images taken off-board by the Hypersonic Thermodynamic Infrared Measurements (HYTHIRM) team, and is suitable for hypersonic CFD turbulence assessment between Mach 6 and 14. The primary assessment is for the Baldwin-Lomax and Cebeci-Smith algebraic turbulence models in the DPLR and LAURA CFD codes, respectively. A secondary assessment is made of the Shear-Stress Transport (SST) two-equation turbulence model in the DPLR code. Based upon surface temperature comparisons at eleven thermocouple locations, the algebraic-model turbulent CFD results average 4% lower than the measurements for Mach numbers less than 11. For Mach numbers greater than 11, the algebraic-model turbulent CFD results average 5% higher than the three available thermocouple measurements. Surface temperature predictions from the two SST cases were consistently 3 4% higher than the algebraic-model results. The thermocouple temperatures exhibit a change in trend with Mach number at about Mach 11; this trend is not reflected in the CFD results. Because the temperature trends from the turbulent CFD simulations and the flight data diverge above Mach 11, extrapolation of the turbulent CFD accuracy to higher Mach numbers is not recommended.

Wood, William A.↗

Simulating Gravitational Wave Emission from Massive Black Hole Binaries

The final merger of two black holes releases a tremendous amount of energy and is one of the brightest sources in the gravitational wave sky. Observing these sources with gravitational wave detectors requires that we know the radiation waveforms they emit. Since these mergers take place in regions of very strong gravitational fields, we need to solve Einstein's equations of general relativity on a computer in order to calculate these waveforms. For more than 30 years, scientists have tried to compute these waveforms using the methods of numerical relativity. The resulting computer codes have been plagued by instabilities, causing them to crash well before the black holes in the binary could complete even a single orbit. In the past few years, this situation has changed dramatically, with a series of amazing breakthroughs. This talk will focus on the recent advances that are revealing these waveforms. highlighting their astrophysical consequences and the dramatic new potential for discovery that arises when merging black holes will be observed using gravitational waves.

Centrella, Joan↗

A Mercury Lander Mission Concept Study for the Next Decadal Survey

Mariner 10 provided our first closeup reconnaissance of Mercury during its three flybys in 1974 and 1975. MESSENGER’s 2011–2015 orbital investigation enabled numerous discoveries, several of which led to substantial or complete changes in our fundamental understanding of the planet. Among these were the unanticipated, widespread presence of volatile elements (e.g., Na, K, S); a surface with extremely low Fe abundance whose darkening agent is likely C; a previously unknown landform—hollows— that may form by volatile sublimation from within rocks exposed to the harsh conditions on the surface; a history of expansive effusive and explosive volcanism; substantial radial contraction of the planet from interior cooling; offset of the dipole moment of the internal magnetic field northward from the geographic equator by ~20% of the planet’s radius; crustal magnetization, attributed at least in part to an ancient field; unexpected seasonal variability and relationships among exospheric species and processes; and the presence in permanently shadowed polar terrain of water ice and other volatile materials, likely to include complex organic compounds. Mercury’s highly chemically reduced and unexpectedly volatile-rich composition is unique among the terrestrial planets and was not predicted by earlier hypotheses for the planet’s origin. As an end-member of terrestrial planet formation, Mercury holds unique clues about the original distribution of elements in the earliest stages of the Solar System and how planets (and exoplanets) form and evolve in close proximity to their host stars. The BepiColombo mission promises to expand our knowledge of this planet and to shed light on some of the mysteries revealed by the MESSENGER mission. However, several fundamental science questions raised by MESSENGER’s pioneering exploration of Mercury can only be answered with in situ measurements from the planet’s surface.

Ernst, C. M.↗