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At least 379 records · Page 21

Collision integrals and high temperature transport properties for N-N, O-O, and N-O

Accurate collision integrals for the interactions of N(4S0) + N(4S0), O(3P) + O(3P), and N(4S0) + O(3P) are reported. These are computed from a semiclassical formulation of the scattering using the best available representations of all of the potential energy curves needed to describe the collisions. Spectroscopic curves and other accurate measured data are used where available; the results of accurate ab initio electronic structure calculations are used to determine the remaining potential curves. The high-lying states are found to give the largest contributions to the collision cross sections. The nine collision integrals needed to determine transport properties to second order are tabulated for translational temperatures in the range 250-100,000 K. The viscosity, thermal conductivity, diffusion coefficient, and thermal diffusion factor for a gas composed of nitrogen and oxygen atoms in thermal equilibrium have been calculated. It is found that the second-order contribution to the transport properties is small. Graphs of these transport properties for various mixture ratios are presented for temperatures in the range 5000-15,000 K.

Levin, E.↗

Collision integrals and high temperature transport properties for N-N, O-O, and N-O

Accurate collision integrals are reported for the interactions of N(4 S 0) + N(4 S 0), O(3 P), and N(4 S 0) + O(3 P). These are computed from a semiclassical formulation of the scattering using the best available representations of all of the potential energy curves needed to describe the collisions. Experimental RKR curves and other accurate measured data are used where available; the results of accurate ab initio electronic structure calculations are used to determine the remaining potential curves. The high-lying states are found to give the largest contributions to the collision cross sections. The nine collision integrals, needed to determine transport properties to second order, are tabulated for translational temperatures in the range 250 K to 100,000 K. These results are intended to reduce the uncertainty in future predictions of the transport properties of nonequilibrium air, particularly at high temperatures. The viscosity, thermal conductivity, diffusion coefficient, and thermal diffusion factor for a gas composed of nitrogen and oxygen atoms in thermal equilibrium are calculated. It was found that the second order contribution to the transport properties is small. Graphs of these transport properties for various mixture ratios are presented for temperatures in the range 5000 to 15000 K.

Levin, E.↗

Grid generation requirements at Marshall Space Flight Center

These viewgraphs present three examples of structural grid generation from MSFC analysts. The propulsion systems components include high performance requirements and multi-curved surfaces. Grid generation or finite element meshing for structural and thermal analysis models is currently accomplished using interactive graphics based software on personal workstations.

Larry Kiefling↗

Development of a curved pipe capability for the NASTRAN finite element program

A curved pipe element capability for the NASTRAN structural analysis program is developed using the NASTRAN dummy element feature. A description is given of the theory involved in the subroutines which describe stiffness, mass, thermal and enforced deformation loads, and force and stress recovery for the curved pipe element. Incorporation of these subroutines into NASTRAN is discussed. Test problems are proposed. Instructions on use of the new element capability are provided.

Jeter, J. W., Jr.↗

Strain phase separation: Formation of ferroelastic domain structures

Phase decomposition is a well-known process leading to the formation of two-phase mixtures. Here we show that a strain imposed on a ferroelastic crystal promotes the formation of mixed phases and domains, i.e., strain phase separation with local strains determined by a common tangent construction on the free energy versus strain curves. It is demonstrated that a domain structure can be understood using the concepts of domain/phase rule, lever rule, and coherent and incoherent strain phase separation, in a complete analogy to phase decomposition. The proposed strain phase separation model is validated using phase-field simulations and experimental observations of PbTiO 3 and BiFeO 3 thin films as examples. Finally, the proposed model provides a simple tool to guide and design domain structures of ferroelastic systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A Six-Node Curved Triangular Element and a Four-Node Quadrilateral Element for Analysis of Laminated Composite Aerospace Structures

Mathematical development and some computed results are presented for Mindlin plate and shell elements, suitable for analysis of laminated composite and sandwich structures. These elements use the conventional 3 (plate) or 5 (shell) nodal degrees of freedom, have no communicable mechanisms, have no spurious shear energy (no shear locking), have no spurious membrane energy (no membrane locking) and do not require arbitrary reduction of out-of-plane shear moduli or under-integration. Artificial out-of-plane rotational stiffnesses are added at the element level to avoid convergence problems or singularity due to flat spots in shells. This report discusses a 6-node curved triangular element and a 4-node quadrilateral element. Findings show that in regular rectangular meshes, the Martin-Breiner 6-node triangular curved shell (MB6) is approximately equivalent to the conventional 8-node quadrilateral with integration. The 4-node quadrilateral (MB4) has very good accuracy for a 4-node element, and may be preferred in vibration analysis because of narrower bandwidth. The mathematical developments used in these elements, those discussed in the seven appendices, have been applied to elements with 3, 4, 6, and 10 nodes and can be applied to other nodal configurations.

Martin, C. Wayne↗

CO 2 -brine relative permeability and capillary pressure of Tuscaloosa sandstone: Effect of anisotropy

Relative permeability and capillary pressure are known as essential properties that have substantial impacts on the accuracy of reservoir simulations. The effect of small-scale heterogeneity and lamination in the rock structure is often ignored during the measurement of capillary pressure and relative permeability curves in core samples. This study highlights the remarkable impact of anisotropy on the multiphase flow properties of stratified formations. A series of steady-state CO 2 -brine drainage and imbibition tests are conducted at reservoir conditions in horizontal and vertical core samples of the Tuscaloosa sandstone from the Cranfield CO 2 injection site in Mississippi. The relative permeability curves represent an anisotropic behavior influenced by the heterogeneous and laminated structure of realistic rock samples. The CO 2 saturation profiles during drainage and imbibition cycles indicate that the phase distribution in the pore space is controlled by core-scale heterogeneity in the porosity distribution among the laminations that causes capillary pressure inhomogeneity. Using the saturation profile during the imbibition cycle, the trapping characteristic of the horizontal and vertical rock samples are compared and we found that the capillary trapping is less likely in the vertical direction. Furthermore, the centrifuge-measured capillary pressure demonstrates distinctive characteristics for horizontal and vertical core samples. Since the flooding experiments are performed under capillary controlled flow, the capillary pressure contrast in the laminated structure of the rock strongly affects the relative permeability. The presented results can potentially improve the accuracy of the large-scale simulations for the CO 2 post-injection period, in which the vertical displacement has an important role in the plume migration.

58 GEOSCIENCES↗

Core structured components and containers

A structural component with at least two side members has a support structure that includes a partition with multiple curved portions forming cells. The partition connects to the side members and extends between the side members at least partially along straight lines. The partition may extend along one or more straight lines from one side member to the other. One structural component is a container with a wall about the internal support structure. The container cells may be formed with a core structure. The core can include a permeable storage material and may be retained after formation, or may be removed. In some cases the container wall has generally planar surfaces, which may include surface undulations. Core structures are also provided for forming structural components. Formation can include casting a material about a core structure within a mold to form a partition extending between two or more sides.

Loukus, Adam R.↗

Kinematic focus point method for particle mass measurements in missing energy events

We investigate the solvability of the event kinematics in missing energy events at hadron colliders, as a function of the particle mass ansatz. To be specific, we reconstruct the neutrino momenta in dilepton tt¯-like events, without assuming any prior knowledge of the mass spectrum. We identify a class of events, which we call extreme events, with the property that the kinematic boundary of their allowed region in mass parameter space passes through the true mass point. We develop techniques for recognizing extreme events in the data and demonstrate that they are abundant in a realistic data sample, due to expected singularities in phase space. We propose a new method for mass measurement whereby we obtain the true values of the mass parameters as the focus point of the kinematic boundaries for all events in the data sample. Since the masses are determined from a relatively sharp peak structure (the density of kinematic boundary curves), the method avoids some of the systematic errors associated with other techniques. We show that this new approach is complementary to previously considered methods in the literature where one studies the solvability of the kinematic constraints throughout the mass parameter space. In particular, we identify a problematic direction in mass space of nearly 100% solvability, and then show that the focus point method is effective in lifting the degeneracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A fully 3-D numerical model to predict flood wave propagation and assess efficiency of flood protection measures

Discussed are the development and validation of a 3-D, non-hydrostatic, Reynolds-Averaged Navier–Stokes (RANS) model using the Volume of Fluid (VOF) approach to simulate flooding events in natural environments. A series of validation simulations in simple and complex geometries are performed to test the different modules of the flow solver. The paper also discusses the differences between simulation results obtained using the 3-D model and those obtained using a standard, 2-D hydrostatic, depth-averaged model. The predictions by the two models show fairly large differences in regions where 3-D effects are expected to be significant (e.g., in regions containing highly-curved river reaches and near hydraulic structures). Then, the validated 3-D model is employed to investigate the efficiency of using flood-protection walls to reduce adverse effects of flooding in the Iowa River near Iowa City, Iowa, USA. Finally, the propagation of a flood wave in a reach of the Iowa River containing a bridge is simulated and the effects of the flow becoming pressurized beneath the bridge deck are discussed. For such applications, in which the regime can change locally between open channel and pressurized flow, the use of fully 3-D, non-hydrostatic models may be the only viable option to accurately predict flow hydrodynamics and its effects on bed shear stresses and sediment entrainment potential, especially around locations where the flow becomes pressurized.

Water Resources↗

Acoustic cloaking: Geometric transform, homogenization and a genetic algorithm

A general process is proposed to experimentally design anisotropic inhomogeneous metamaterials obtained through a change of coordinates in the Helmholtz equation. The method is applied to the case of a cylindrical transformation that allows cloaking to be performed. To approximate such complex metamaterials we apply results of the theory of homogenization and combine them with a genetic algorithm. To illustrate the power of our approach, we design three types of cloaks composed of isotropic concentric layers structured with three types of perforations: curved rectangles, split rings and crosses. These cloaks have parameters compatible with existing technology and they mimic the behavior of the transformed material. Numerical simulations have been performed to qualitatively and quantitatively study the cloaking efficiency of these metamaterials.

36 MATERIALS SCIENCE↗

Minireview - Microtubules and Tubulin Oligomers: Shape Transitions and Assembly by Intrinsically Disordered Protein Tau and Cationic Biomolecules

In this minireview, which is part of a special issue in honor of Jacob N. Israelachvili’s remarkable research career on intermolecular forces and interfacial science, we present studies of structures, phase behavior, and forces in reaction mixtures of microtubules (MTs) and tubulin oligomers with either intrinsically disordered protein (IDP) Tau, cationic vesicles, or the polyamine spermine (4+). Bare MTs consist of 13 protofilaments (PFs), on average, where each PF is made of a linear stack of αβ-tubulin dimers (i.e., tubulin oligomers). We begin with a series of experiments which demonstrate the flexibility of PFs toward shape changes in response to local environmental cues. First, studies show that MT-associated protein (MAP) Tau controls the diameter of microtubules upon binding to the outer surface, implying a shape change in the cross-sectional area of PFs forming the MT perimeter. The diameter of a MT may also be controlled by the charge density of a lipid bilayer membrane that coats the outer surface. We further describe an experimental study where it is unexpectedly found that the biologically relevant polyamine spermine (+4e) is able to depolymerize taxol-stabilized microtubules with efficiency that increases with decreasing temperature. This MT destabilization drives a dynamical structural transition where inside-out curving of PFs, during the depolymerization peeling process, is followed by reassembly of ring-like curved PF building blocks into an array of helical inverted tubulin tubules. We finally turn to a very recent study on pressure–distance measurements in bundles of MTs employing the small-angle X-ray scattering (SAXS)-osmotic pressure technique, which complements the surface-forces-apparatus technique developed by Jacob N. Israelachvili. Furthermore, these latter studies are among the very few which are beginning to shed light on the precise nature of the interactions between MTs mediated by MAP Tau in 37 °C reaction mixtures containing GTP and lacking taxol.

59 BASIC BIOLOGICAL SCIENCES↗

Curvature Induced Modifications of Chirality and Magnetic Configuration in Perpendicular Films

Designing curvature in three-dimensional (3D) magnetic nanostructures enables controlled manipulation of local energy landscapes, allowing for the modification of noncollinear spin textures relevant for next-generation spintronic devices. In this study, we experimentally investigate 3D magnetization textures in a Co/Pd multilayer film, exhibiting strong perpendicular magnetic anisotropy (PMA), deposited onto curved Cu nanowire meshes with diameters as small as 50 nm and lengths of several microns. Utilizing magnetic soft X-ray nanotomography, we achieve reconstructions of 3D magnetic domain patterns at approximately 30 nm spatial resolution. This approach provides detailed information on both the orientation and magnitude of magnetization within the film. Our results reveal that interfacial anisotropy in the Co/Pd multilayers drives the magnetization toward the local surface normal. In contrast to typical labyrinth domains observed in planar films, the presence of curved nanowires significantly alters the domain structure, with domains preferentially aligning along the nanowire axis in close proximity, while adopting random orientations farther away. We report direct experimental observation of a curvature-induced Dzyaloshinskii-Moriya interaction (DMI), which is quantified to be approximately one-third of the intrinsic DMI in Co/Pd stacks. The curvature induced DMI enhances stability of Néel-type domain walls. These experimental observations are further supported by micromagnetic simulations. Altogether, our findings demonstrate that introducing curvature into magnetic nanostructures provides a powerful strategy for tailoring complex magnetic behaviors, paving the way for the design of advanced 3D racetrack memory and neuromorphic computing devices.

Raftrey, David↗

Data Science Shows that Entropy Correlates with Accelerated Zeolite Crystallization in Monte Carlo Simulations

We have performed a data science study of Monte Carlo simulation trajectories to understand factors that can accelerate formation of zeolite nanoporous crystals, a process that can take days or even weeks. In previous work, Monte Carlo simulations predicted and experiments confirmed that using a secondary organic structure-directing agent (OSDA) accelerates crystallization of all-silica LTA zeolite, with experiments finding a three-fold speedup [PCCP 24, 142-148 (2022)]. However, it remains unclear what physical factors cause the speed-up. Here, we apply data science to analyze the simulation trajectories to discover what drives accelerated zeolite crystallization in Monte Carlo going from a one-OSDA synthesis (1OSDA) to a two-OSDA version (2OSDA). We encoded simulation snapshots using the Smooth Overlap of Atomic Positions approach, which represents all 2- and 3-body correlations within a given cutoff distance. Principal component analyses failed to discriminate datasets of structures from 1OSDA and 2OSDA simulations, while the Support Vector Machine (SVM) approach succeeded at classifying such structures with an area-under-curve (AUC) score of 0.99 (where AUC = 1 is a perfect classification) with all 3-body correlations, and as high as 0.94 with only 2-body correlations. SVM decision functions reveal relatively broad / narrow histograms for 1OSDA / 2OSDA datasets, suggesting that the two simulations differ strongly in information heterogeneity. Informed by these results, we performed pair (2-body) entropy calculations during crystallization, resulting in entropy differences that semi-quantitatively account for the speedup observed in the previous Monte Carlo simulations. We conclude that altering synthesis conditions in ways that substantially changes the entropy of labile silica networks may accelerate zeolite crystallization, and we discuss possible approaches for achieving such acceleration.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

New efficient laser dyes for the red spectral range. Part 2. Pyrone derivatives

We report the generation characteristics of ethanol solutions of some dyes belonging to the derivatives of 2H- and 4H- pyrones, as well as of some structurally similar model fluorophores. The tuning curves of these dyes generating light in the orange and red spectral regions are measured, and the wavelength tuning ranges are determined. The dependences of the generated energy on the pump energy in a non-selective cavity are also measured. It is shown that some of the studied compounds possess better characteristics than those of widely used laser dyes in these spectral regions. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Choosing a reliability inspection plan for interval censored data

Reliability test plans are important for producing precise and accurate assessment of reliability characteristics. This paper explores different strategies for choosing between possible inspection plans for interval censored data given a fixed testing timeframe and budget. A new general cost structure is proposed for guiding precise quantification of total cost in inspection test plan. Multiple summaries of reliability are considered and compared as the criteria for choosing the best plans using an easily adapted method. Different cost structures and representative true underlying reliability curves demonstrate how to assess different strategies given the logistical constraints and nature of the problem. Results show several general patterns exist across a wide variety of scenarios. Given the fixed total cost, plans that inspect more units with less frequency based on equally spaced time points are favored due to the ease of implementation and consistent good performance across a large number of case study scenarios. Plans with inspection times chosen based on equally spaced probabilities offer improved reliability estimates for the shape of the distribution, mean lifetime, and failure time for a small fraction of population only for applications with high infant mortality rates. The paper uses a Monte Carlo simulation based approach in addition to the common evaluation based on the asymptotic variance and offers comparison and recommendation for different applications with different objectives. Additionally, the paper outlines a variety of different reliability metrics to use as criteria for optimization, presents a general method for evaluating different alternatives, as well as provides case study results for different common scenarios.

97 MATHEMATICS AND COMPUTING↗

Probing quasar viewing angle with the variability structure function

Given the anisotropic emission from quasar accretion discs, their viewing angle affects estimates of the quasar luminosity, black hole mass, and Eddington ratio. Discs appear overluminous when viewed pole-on and underluminous when viewed at high inclination. In radio-quiet quasars, the viewing angle is usually unknown, although spectroscopic indicators have been proposed. Here, we use a recently discovered universality in the variability structure function (SF) of quasar light curves (LCs), where all quasars show the same SF when clocks run in units of orbital time-scale. As an offset from the mean relation can be caused by incorrect orbital time-scales and thus incorrect luminosities, we correlate these offsets with suggested inclination indicators. We derive SFs from NASA/Asteroid Terrestrial-impact Last Alert System (ATLAS) LCs spanning ~6 yr of observation, using a sample of 183 luminous quasars with measured H β lines as well as 753 quasars with C $\tiny{IV}$ and Mg $\tiny{II}$ lines. Starting from the proposed orientation indicators, we expect quasars with narrower H β lines and with more blueshifted C $\tiny{IV}$ lines to be viewed more pole-on and thus appear overluminous. In contrast, our SF analysis finds that presumed pole-on discs appear underluminous, consistently for both line indicators. We discuss possible explanations for the behaviour of quasars with highly blueshifted C $\tiny{IV}$ lines irrespective of inclination angle, including dusty outflows that might render the accretion disc underluminous and flatter disc temperature profiles with longer orbital time-scales than in thin-disc models but reach no satisfying conclusion.

79 ASTRONOMY AND ASTROPHYSICS↗