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At least 613 records · Page 34

A Transport Model for Non-Local Heating of Electrons in ICP Reactors

A new model has been developed for non-local heating of electrons in ICP reactors, based on a hydrodynamic approach. The model has been derived using the electron momentum conservation in azimuthal direction with electromagnetic and frictional forces respectively as driving force and damper of harmonic oscillatory motion of electrons. The resulting transport equations include the convection of azimuthal electron momentum in radial and axial directions, thereby accounting for the non-local effects. The azimuthal velocity of electrons and the resulting electrical current are coupled to the Maxwell's relations, thus forming a self-consistent model for non-local heating. This model is being implemented along with a set of Navier-Stokes equations for plasma dynamics and gas flow to simulate low-pressure (few mTorr's) ICP discharges. Characteristics of nitrogen plasma in a TCP 300mm etch reactor is being studied. The results will be compared against the available Langmuir probe measurements.

Chang, C. H.↗

Arc heater code validation tests of heat shield materials

Results are reported for tests of candidate heat-shield materials for outer-planet entry probes, which were conducted in two different arc-heater facilities at heating rates below those predicted for entry. One facility supplied a combined radiative-convective heating environment in air while the other provided a hydrogen/helium environment for convective heating only. Both 'infinite-slab' and 'finite-slab' models consisting of various carbon phenolic (CP) and fused silica (FS) materials were tested. The test results obtained are expressed in terms of ablation rates and surface as well as in-depth temperature variations with time for the air environment and in terms of normalized ablation rate as a function of temperature for the H/He environment. The measured values are compared with calculations based on a charring material thermal response and ablation code. For the CP models, good agreement between predicted and measured mass-loss rates is noted, surface temperatures in air are predicted within 18%, and in-depth temperature predictions are shown to be conservative in comparison with measured values. For the FS models, discrepancies are found between the predicted and measured mass-loss rates and surface temperatures.

Kesselring, J. P.↗

Precision orbit determination using TOPEX/Poseidon TDRSS observations

The TOPEX/Poseidon (T/P) Mission carries a variety of packages to support experimental, precision and operational orbit determination. Included are a GPS transponder, laser retro-reflectors, the French-developed Doppler Orbitography and Radiopositioning Integrated by Satellite (DORIS) Doppler tracking system and a Tracking Data Relay Satellite System (TDRSS) transponder. Presently, TDRSS tracking is used for operational orbit support and is processed with force and measurement modeling consistent with this purpose. However, the low noise and extensive geographical coverage of the TDRSS/TOPEX data allows an assessment of TDRSS Precision Orbit Determination (POD) capabilities by comparison to the T/P precision orbit determination. The Geodynamics (GEODYN) Orbit Determination System is used to process laser and DORIS data to produce the precision orbits for the T/P Project. GEODYN has been modified recently to support the TDRSS observations. TDRSS data analysis can now benefit from the extensive force modeling and reference frame stability needed to meet the orbit determination (OD) goals of the T/P Mission. This analysis has concentrated on the strongest of the TDRSS measurement types, its two-way average range rate. Both the TDRSS and T/P orbits have been assessed in combination with the global satellite laser ranging (SLR) data and by themselves. These results indicate that significant improvement in the TDRSS ephemerides is obtained when the T/P orbit is well determined by SLR, and the TDRSS/TOPEX Doppler link is used to position TDRSS. Meter-level TDRSS positioning uncertainty is achieved using this approach. When the TDRSS orbit location is provided by this approach, the two-way range rate from a single TDRSS (i.e. West only) can provide T/P orbits with sub-meter radial accuracies and two meter RMS total position agreement with SLR defined orbits. These preliminary results indicate improved modeling of the TDRSS measurement through the elimination of heretofore neglected effects like the motion of the T/P TDRSS antenna and improved modeling of ionospheric and atmospheric refractive effects, and the inclusion of TDRSS East in the analysis are warranted. Through these improvements, TDRSS can make a significant contribution to geopotential recovery and precision OD.

Teles, Jerome↗

Single-Molecule Kinetics of Styrene Hydrogenation on Silica-Supported Vanadium: The Role of Disorder for Single-Atom Catalysts

We report a theoretical approach for the study of supported atom catalysis is developed based on recent advances in the study of single-molecule kinetics. This view is particularly useful in exhibiting the role of disorder in single-atom and single-site catalysts on amorphous supports. The distribution of passage times (or waiting times) through a complex catalytic network originating from a set of coupled active sites is described by a probability distribution function (PDF), f(t), that reflects the local environment of the reaction center. An efficient algorithm is developed based on the linear algebra of the Markov transition matrix that produces f(t) or its moments. The kinetics of the hydrogenation reaction of styrene on an organovanadium(III) catalyst supported on amorphous silica is studied. A kinetic model consisting of three intertwined catalytic cycles emanating from three chemically distinct active sites is proposed to describe the chemistry. Density functional theory (DFT) calculations are employed to determine the free energy barriers of the reactions, which are used to construct the rate coefficient matrix. The disorder induced by the amorphous support material is divided into a low-dimensional short-range component reflecting the covalent structures near the reaction center and a weaker long-range component modeling the bulk randomness. The results are computed and analyzed for a wide range of concentration values and disorder scenarios. The unusual structure in the f(t) PDF is found to occur for certain cases that reveal the contribution of multiple catalytic pathways acting in concert.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A human-in-the-loop explanation framework for morphologically transparent AI predictions from whole-slide images

Deep learning models enable the prediction of clinical endpoints from whole-slide images (WSIs), but many such models function as “black boxes”, lacking transparency about whether and which histomorphological patterns drive their predictions, hindering interpretability and clinical adoption. Here we propose a human-in-the-loop explanation framework, MorphoXAI, which provides both local and global interpretability for deep learning models by incorporating human-expert interpretations. At the global level, it reveals the histomorphological patterns on which the model consistently relies to distinguish between classes of WSIs, as well as the patterns associated with confusion between classes. At the local level, it indicates which of these patterns are used in the prediction of an individual WSI and which regions within the slide correspond to such patterns. We validated our method across multiple deep learning–based WSI analysis tasks spanning different tissue types. The results show that our framework generates explanations that accurately reflect the histomorphology underlying the model’s predictions at both global and local levels. For interpretability and clinical utility in diagnostic contexts, human evaluation results showed that our explanations were easy to interpret, rich in diagnostic features, and directly helpful for diagnostic decision-making, thereby enhancing pathologist-AI collaboration. Our work highlights that unifying global and local explanations and grounding them in expert-interpreted morphology enhances the interpretability and verifiability of deep learning models, thereby facilitating the transparent deployment of such models in clinical practice.

Lou, Peiliang↗

Skeletides: A Modular, Simplified Physical Model of Protein Secondary Structure

Three-dimensional (3D) models are essential for visualization and conceptual understanding of complex architectures such as protein structure. Although there is a plethora of software platforms that allow digital depictions of protein structure at an atomic level in silico, physical models are needed to convey an intuitive understanding of biomolecular architecture. However, it is a challenge to represent all the relevant features of proteins in a single physical model due to their sheer structural complexity. Here, we describe a modular protein model that focuses only on representation of the secondary structure—the underlying structural skeleton. The simplified model consists of amino acid units, which can be linked together to reproduce the two most fundamental structural features of protein secondary structure: the relative positions of the amino acid alpha carbon atoms, and the intra-main chain hydrogen bonding pattern. We use 3D printing and magnets to create a set of three modular amino acid building blocks, which when linked together into a chain, can faithfully represent alpha helices, beta sheets, and turns. These simple to make models can be used to quickly assemble the alpha carbon trace of an entire protein domain, which conveys a tactile experience of the complexity of protein skeletal architecture. These models highlight the modularity of protein structure: where a single structural unit, the amino acid, can be linked together to form a larger, regular secondary structure. These models also have a propensity to spontaneously organize into alpha helices and beta sheets, as demonstrated by their ability to autonomously assemble when placed in a circulating water tank. These models provide a missing educational tool to expand knowledge of protein structure, foster deeper insight into protein folding, and inspire greater interest in biomacromolecular architecture.

36 MATERIALS SCIENCE↗

Attitude control of a spinning flexible spacecraft

The dynamics of rotational motion of a spinning orbiting spacecraft consisting of two rigid bodies connected by a flexible joint and arbitrary number of flexible appendages (two of which are flexible massless booms having masses on their tips) is analyzed. Active attitude control is provided by momentum exchange devices (e.g. control moment gyroscopes) or a mass expulsion system. The linearized equations of motion describing the vehicle are presented, and a large scale digital simulation that has been developed at the Marshall Space Flight Center is presented. A simplified model of the geometrically complex vehicle is selected to make it analytically tractable. The simplified model consists of a single rigid core body with two attached flexible massless booms having tip masses. The states of the vehicle are defined as small perturbations about its steady-state spin. An analysis is performed to determine the domain of stability.

Seltzer, S. M.↗

The Nonlinear Coupling of Electromagnetic Ion Cyclotron and Lower Hybrid Waves in the Ring Current Region: The Magnetic Storm May 1-7 1998

The excitation of lower hybrid waves (LHWs) is a widely discussed mechanism of interaction between plasma species in space, and is one of the unresolved questions of magnetospheric multi-ion plasmas. In this paper we present the morphology, dynamics, and level of LHW activity generated by electromagnetic ion cyclotron (EMIC) waves during the May 2-7, 1998 storm period on the global scale. The LHWs were calculated based on our newly developed self-consistent model that couples the system of two kinetic equations: one equation describes the ring current (RC) ion dynamic, and another equation describes the evolution of EMIC waves. It is found that the LHWs are excited by helium ions due to their mass dependent drift in the electric field of EMIC waves. The level of LHW activity is calculated assuming that the induced scattering process is the main saturation mechanism for these waves. The calculated LHWs electric fields are consistent with the observational data.

Khazanov, G. V.↗

A decision and control multi-axis pilot model based on an urgency for action concept

An all digital multiple axis, multiple input, multiple output pilot model flies five different tasks in aircraft of different classes while encountering turbulence represented by the Dryden spectral model. Six degree of freedom linearized aircraft equations of motion are used together with a generalized stability augmentation system. The pilot model consists of two parts: (1) a decision maker, and (2) a control action implementer. This decision maker selects the critical variable and predicts the error at action implementation. The control action implementer decides the magnitude of control to be applied and applies it. This system has been successfully compared with hybrid/analog man in the loop simulations of the F-5, A-7, T-33, and 707 aircraft, thus validating the all digital simulation and the decision and control pilot model.

Pollard, J. J.↗

An analytical and experimental study to investigate flutter suppression via piezoelectric actuation

The objective was to analytically and experimentally study the capabilities of adaptive material plate actuators for suppressing flutter. The validity of analytical modeling techniques for piezoelectric materials was also investigated. Piezoelectrics are materials which are characterized by their ability to produce voltage when subjected to a mechanical strain. The converse piezoelectric effect can be utilized to actuate a structure by applying a voltage. For this investigation, a two degree of freedom wind tunnel model was designed, analyzed, and tested. The model consisted of a rigid airfoil and a flexible mount system which permitted a translational and a rotational degree of freedom. It was designed such that flutter was encounted within the testing envelope of the wind tunnel. Actuators, made of piezoelectric material were affixed to leaf springs of the mount system. Each degree of freedom was controlled by a separate leaf spring. Command signals, applied to the piezoelectric actuators, exerted control over the damping and stiffness properties. A mathematical aeroservoelastic model was constructed using finite element methods, laminated plate theory, and aeroelastic analysis tools. Plant characteristics were determined from this model and verified by open loop experimental tests. A flutter suppression control law was designed and implemented on a digital control computer. Closed loop flutter testing was conducted. The experimental results represent the first time that adaptive materials have been used to actively suppress flutter. It demonstrates that small, carefully placed actuating plates can be used effectively to control aeroelastic response.

Heeg, Jennifer↗

The spectrum of the variable planetary nebula IC 4997

The compact, dusty, presumably young planetary nebula (PN) IC 4997 has been studied extensively since the variability of the lambda 4363/lambda 4340 ratio was established in 1956. Since 1938, other nebular lines have shown changes. IC 4997 is also unique because of the great density range revealed by its spectrum which goes in excitation from Mg I to (Ar IV). We present a detailed listing of spectral lines from 360 to 1005 nm. The diagnostic diagram shows that the spectrum can be interpreted only in terms of strata with a huge density gamut. Essential spectral features can be reproduced approximately by a model consisting of a geometrically thin shell of density around 10(exp 7) atoms cm(exp -3), surrounded by a much larger shell with a density of about 10(exp 4) atoms cm(exp -3). The actual, certainly more complex structure can be evaluated only when high resolution spatial imaging is at hand. The usual method of getting abundances from N(ion)/N(H(+)) and ionization correction factors (ICFs) cannot be applied here. It is argued that a reasonable theoretical model that represents the spectrum provides a valid initial approximation to nebular abundances. We propose that the chemical composition of IC 4997 does not differ greatly from that of the Sun. The finally adopted model suggests that the ejection of the material destined to form the inner shell occurred between 1900 and 1960, but observational evidence of such an ejection event is lacking. Perhaps the shell was accelerated. A need for further study is emphasized, especially the role of dust which appears to contribute 2% of the total mass. More attention to this object is recommended. An accurate measurement of its distance is especially desirable.

Hyung, Siek↗

Polarization studies of the Venus UV contrasts - Cloud height and haze variability

The present investigation is concerned with the measurement of differences in the polarization of bright and dark areas on Venus. The differential polarization is matched by simple models in which the cloud height, amount of submicron haze above the clouds, and absorber amount in the clouds are varied. Physical and chemical models consistent with the findings are proposed. The differences in polarization between bright and dark ultraviolet features on Venus are found to have a straightforward interpretation in terms of known constituents of the atmosphere near the cloud tops. The observations of the polarization in four colors over 2 1/2 Venus years imply that the submicron haze and UV absorbers are anticorrelated, and that the clouds lie slightly (approximately 1 km) lower in the dark regions. These findings pose strong constraints on any model for the brightness variations in the UV.

Esposito, L. W.↗

Size distribution of dust grains: A problem of self-similarity

Distribution functions describing the results of natural processes frequently show the shape of power laws, e.g., mass functions of stars and molecular clouds, velocity spectrum of turbulence, size distributions of asteroids, micrometeorites and also interstellar dust grains. It is an open question whether this behavior is a result simply coming about by the chosen mathematical representation of the observational data or reflects a deep-seated principle of nature. The authors suppose the latter being the case. Using a dust model consisting of silicate and graphite grains Mathis et al. (1977) showed that the interstellar extinction curve can be represented by taking a grain radii distribution of power law type n(a) varies as a(exp -p) with 3.3 less than or equal to p less than or equal to 3.6 (example 1) as a basis. A different approach to understanding power laws like that in example 1 becomes possible by the theory of self-similar processes (scale invariance). The beta model of turbulence (Frisch et al., 1978) leads in an elementary way to the concept of the self-similarity dimension D, a special case of Mandelbrot's (1977) fractal dimension. In the frame of this beta model, it is supposed that on each stage of a cascade the system decays to N clumps and that only the portion beta N remains active further on. An important feature of this model is that the active eddies become less and less space-filling. In the following, the authors assume that grain-grain collisions are such a scale-invarient process and that the remaining grains are the inactive (frozen) clumps of the cascade. In this way, a size distribution n(a) da varies as a(exp -(D+1))da (example 2) results. It seems to be highly probable that the power law character of the size distribution of interstellar dust grains is the result of a self-similarity process. We can, however, not exclude that the process leading to the interstellar grain size distribution is not fragmentation at all. It could be, e.g., diffusion-limited growth discussed by Sander (1986), who applied the theory of fractal geometry to the classification of non-equilibrium growth processes. He received D=2.4 for diffusion-limited aggregation in 3d-space.

Henning, TH.↗

Monte Carlo computer simulations of Venus equilibrium and global resurfacing models

Two models have been proposed for the resurfacing history of Venus: (1) equilibrium resurfacing and (2) global resurfacing. The equilibrium model consists of two cases: in case 1, areas less than or equal to 0.03 percent of the planet are spatially randomly resurfaced at intervals of less than or greater than 150,000 yr to produce the observed spatially random distribution of impact craters and average surface age of about 500 m.y.; and in case 2, areas greater than or equal to 10 percent of the planet are resurfaced at intervals of greater than or equal to 50 m.y. The global resurfacing model proposes that the entire planet was resurfaced about 500 m.y. ago, destroying the preexisting crater population and followed by significantly reduced volcanism and tectonism. The present crater population has accumulated since then with only 4 percent of the observed craters having been embayed by more recent lavas. To test the equilibrium resurfacing model we have run several Monte Carlo computer simulations for the two proposed cases. It is shown that the equilibrium resurfacing model is not a valid model for an explanation of the observed crater population characteristics or Venus' resurfacing history. The global resurfacing model is the most likely explanation for the characteristics of Venus' cratering record. The amount of resurfacing since that event, some 500 m.y. ago, can be estimated by a different type of Monte Carolo simulation. To date, our initial simulation has only considered the easiest case to implement. In this case, the volcanic events are randomly distributed across the entire planet and, therefore, contrary to observation, the flooded craters are also randomly distributed across the planet.

Dawson, D. D.↗

A 2.5D Single Passage CFD Model for Centrifugal Pumps

This paper describes the single passage model based on CFD to analyze the flow in blade passages of a centrifugal pump. The model consists of the flow passage between two impeller blades and the spaces in the inlet eye as well as in the volute. The incompressible Navier-Stokes equations in the conservation form are solved by a finite difference method. The code is designed to investigate the velocity and pressure distributions and intended to investigate how the pump design affects fluid flow through the rotor as well as the pump performance. An early part of the paper investigates the behavior of the model as well as validity of the assumptions made in the model. Then, applications to a rotodynamic heart pump are presented.

Nakamura S.↗

Plutonium oxide melt structure and covalency

Advances in nuclear power reactors include the use of mixed oxide fuel, containing uranium and plutonium oxides. The high-temperature behaviour and structure of PuO 2-x above 1,800 K remain largely unexplored, and these conditions must be considered for reactor design and planning for the mitigation of severe accidents. Here, in this study, we measure the atomic structure of PuO 2-x through the melting transition up to 3,000 +/- 50 K using X-ray scattering of aerodynamically levitated and laser-beam-heated samples, with O/Pu ranging from 1.57 to 1.76. Liquid structural models consistent with the X-ray data are developed using machine-learned interatomic potentials and density functional theory. Molten PuO 1.76 contains some degree of covalent Pu-O bonding, signalled by the degeneracy of Pu 5f and O 2p orbitals. The liquid is isomorphous with molten CeO 1.75 , demonstrating the latter as a non-radioactive, non-toxic, structural surrogate when differences in the oxidation potentials of Pu and Ce are accounted for. These characterizations provide essential constraints for modelling pertinent to reactor safety design. The molten structure of plutonium oxide-a component of mixed oxide nuclear fuels-is measured, showing some degree of covalent bonding. Its atomic structure is similar to that of cerium oxide, which could be a non-radioactive structural surrogate.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Determination of in vivo mechanical properties of long bones from their impedance response curves

A mathematical model consisting of a uniform, linear, visco-elastic, Euler-Bernoulli beam to represent the ulna or tibia of the vibrating forearm or leg system is developed. The skin and tissue compressed between the probe and bone is represented by a spring in series with the beam. The remaining skin and tissue surrounding the bone is represented by a visco-elastic foundation with mass. An extensive parametric study is carried out to determine the effect of each parameter of the mathematical model on its impedance response. A system identification algorithm is developed and programmed on a digital computer to determine the parametric values of the model which best simulate the data obtained from an impedance test.

Borders, S. G.↗

The Nonlinear Coupling of Alfven and Lower Hybrid Waves in Space Plasma

Space plasmas support a wide variety of waves, and wave-particle interactions as well as wave-wave interactions which are of crucial importance to magnetospheric and ionospheric plasma behavior. The excitation of lower hybrid waves (LHWs) in particular is a widely discussed mechanism of interaction between plasma species in space and is one of the unresolved questions of magnetospheric multi-ion plasmas. It is demonstrated that large-amplitude Alfven waves may generate LHWs in the auroral zone and ring current region and in some cases (particularly in the inner magnetosphere) this serves as the Alfven wave saturation mechanism. We present several examples of observational data which illustrate that the proposed mechanism is a plausible candidate to explain certain classes of LHW generation events in the ionosphere and magnetosphere and demonstrate electron and ion energization involving these processes. We discuss the morphology dynamics and level of LHW activity generated by electromagnetic ion cyclotron (EMIC) waves during the May 2-7 1998 storm period on the global scale. The LHWs were calculated based on a newly developed self-consistent model (Khazanov et. al. 2002) that couples the system of two kinetic equations: one equation describes the ring current (RC) ion dynamic and another equation describes the evolution of EMIC waves. It is found that the LHWs are excited by helium ions due to their mass dependent drift in the electric field of EMIC waves. The level of LHW activity is calculated assuming that the induced scattering process is the main saturation mechanism for these waves. The calculated LHWs electric fields are consistent with the observational data.

Khazanov, George V.↗