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At least 739 records · Page 41

DEM Solutions Develops Answers to Modeling Lunar Dust and Regolith

With the proposed return to the Moon, scientists like NASA-KSC's Dr. Calle are concerned for a number of reasons. We will be staying longer on the planet's surface, future missions may include dust-raising activities, such as excavation and handling of lunar soil and rock, and we will be sending robotic instruments to do much of the work for us. Understanding more about the chemical and physical properties of lunar dust, how dust particles interact with each other and with equipment surfaces and the role of static electricity build-up on dust particles in the low-humidity lunar environment is imperative to the development of technologies for removing and preventing dust accumulation, and successfully handling lunar regolith. Dr. Calle is currently working on the problems of the electrostatic phenomena of granular and bulk materials as they apply to planetary surfaces, particularly to those of Mars and the Moon, and is heavily involved in developing instrumentation for future planetary missions. With this end in view, the NASA Kennedy Space Center's Innovative Partnerships Program Office partnered with OEM Solutions, Inc. OEM Solutions is a global leader in particle dynamics simulation software, providing custom solutions for use in tackling tough design and process problems related to bulk solids handling. Customers in industries such as pharmaceutical, chemical, mineral, and materials processing as well as oil and gas production, agricultural and construction, and geo-technical engineering use OEM Solutions' EDEM(TradeMark) software to improve the design and operation of their equipment while reducing development costs, time-to-market and operational risk. EDEM is the world's first general-purpose computer-aided engineering (CAE) tool to use state-of-the-art discrete element modeling technology for the simulation and analysis of particle handling and manufacturing operations. With EDEM you'can quickly and easily create a parameterized model of your granular solids system. Computer-aided design (CAD) models of real particles can be imported to obtain an accurate representation of their shape. EDEM(TradeMark) uses particle-scale behavior models to simulate bulk solids behavior. In addition to particle size and shape, the models can account for physical properties of particles along with interaction between particles and with equipment surfaces and surrounding media, as needed to define the physics of a particular process.

Dunn, Carol Anne↗

Degenerate Ising model for atomistic simulation of crystal-melt interfaces

One of the simplest microscopic models for a thermally driven first-order phase transition is an Ising-type lattice system with nearest-neighbour interactions, an external field, and a degeneracy parameter. The underlying lattice and the interaction coupling constant control the anisotropic energy of the phase boundary, the field strength represents the bulk latent heat, and the degeneracy quantifies the difference in communal entropy between the two phases. We simulate the (stochastic) evolution of this minimal model by applying rejection-free canonical and microcanonical Monte Carlo algorithms, and we obtain caloric curves and heat capacity plots for square (2D) and face-centred cubic (3D) lattices with periodic boundary conditions. Since the model admits precise adjustment of bulk latent heat and communal entropy, neither of which affect the interface properties, we are able to tune the crystal nucleation barriers at a fixed degree of undercooling and verify a dimension-dependent scaling expected from classical nucleation theory. We also analyse the equilibrium crystal-melt coexistence in the microcanonical ensemble, where we detect negative heat capacities and find that this phenomenon is more pronounced when the interface is the dominant contributor to the total entropy. The negative branch of the heat capacity appears smooth only when the equilibrium interface-area-to-volume ratio is not constant but varies smoothly with the excitation energy. Finally, we simulate microcanonical crystal nucleation and subsequent relaxation to an equilibrium Wulff shape, demonstrating the model's utility in tracking crystal-melt interfaces at the atomistic level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An observational signal of the void shape correlation and its link to the cosmic web

The shapes of cosmic voids are prone to distortions caused by external tidal forces since their low densities imply a lower internal resistance. This susceptibility of the void shapes to tidal distortions makes them useful as indicators of large-scale tidal and density fields, despite the practical difficulty in defining them. Using the void catalog constructed by Pan et al. from the Seventh Data Release of the Sloan Digital Sky Survey (SDSS DR7), we detect a clear 4σ signal of spatial correlations of the void shapes on a scale of 20 h{sup −1} Mpc and show that the signal is robust against the projection of the void shapes onto the plane of sky. By constructing a simple analytic model for the void shape correlation, within the framework of tidal torque theory, we demonstrate that the void shape correlation function scales linearly with the two-point correlation function of the linear density field. We also find direct observational evidence for the cross-correlation of the void shapes with the large-scale velocity shear field that was linearly reconstructed by Lee et al. from SDSS DR7. We discuss the possibility of using the void shape correlation function to break the degeneracy between the density parameter and the power spectrum amplitude and to independently constrain the neutrino mass as well.

79 ASTRONOMY AND ASTROPHYSICS↗

Numerical study of three-dimensional turbulent flow interactions between blockage models and wind tunnels including longitudinally slotted test sections

A spatial forward-marching approach is applied to compute three-dimensional turbulent flows for several blockage models in free flight, in a solid wall wind tunnel, and in a wind tunnel with longitudinal slots in the test section. The effects of area blockage in the tunnel, model growth and tunnel wall boundary layers, and of the slots are included. The large blockage models are found to have significant wall interference effects which can be reduced by the slots. The effects of the latter are confined to the region near the tunnel wall. Model/wall interference effects are not limited to the effects of area blockage; in particular, boundary layer profile shapes for a wind tunnel model in a tunnel are different from shapes for a model in free flight even when slots are used. This indicates that the flow responds differently in these two cases with the same pressure gradient.

Lin, S.-J.↗

Cycloidal Shaping of Polyhedra in Two-Rotor Systems

A method of solution is proposed for the model of the cycloid shaping of polyhedra. The method is based on reducing the equations to algebraic form by polynomial approximation of transcendental functions.

42 ENGINEERING↗

Meridional Variations of C2H2 and C2H6 in Jupiter's Atmosphere from Cassini CIRS Infrared Spectra

The abundances of hydrocarbons such as acetylene (C2H2) and ethane (C2H6) in Jupiter's atmosphere are important physical quantities, constraining our models of the chemical and dynamical processes. However, our knowledge of these quantities and their vertical and latitudinal variations has remained sparse. The flyby of the Cassini spacecraft with Jupiter at the end of 2000 provided an excellent opportunity to observe the infrared spectrum with the Composite Infrared Spectrometer (CIRS) instrument, mapping the spatial variation of emissions from 10-1400 cm-1. CIRS spectra taken at the highest resolution (0.5 cm-1) in early December 2000 have been analysed to infer atmospheric temperatures in the stratosphere at 0.5-20 mbar via the v4 of CH4, and in the troposphere at 100-400 mbar, via the hydrogen collision-induced continuum absorption at 600-800 cm. Simultaneously, we have searched for meridional abundance variations in C2H2 and C2H6 via the v5 and vg bands respectively. Tropospheric absorption and stratospheric emission are highly anti-correlated at the CIM resolution, introducing a non-uniqueness into the retrievals, which means that vertical gradient and column abundance cannot be simultaneously found without additional constraints. If we assume the profile shapes from photochemical model calculations, we show that the column abundance of C2H2 must decrease sharply towards the poles, while C2H6 is constant or slightly increasing. The relevance of these results to current photochemical and dynamical knowledge of Jupiter's atmosphere is discussed.

Nixon, C. A.↗

Squeezed Nanocrystals: Equilibrium Configuration of Metal Clusters Embedded Beneath the Surface of a Layered Material

Shapes of functional metallic nanocrystals, typically synthesized either free in solution or supported on surfaces, are key for controlling properties. Here, we consider a novel new class of metallic nanocrystals, copper clusters embedded near the surface of graphite, which can be considered a model system for metals embedded beneath surfaces of layered materials, or beneath supported membranes. We develop a continuum elasticity (CE) model for the equilibrium shape of these islands, and compare its predictions with experimental data. The CE model incorporates appropriate surface energy, adhesion energies, and strain energy. The agreement between the CE model and the data is—with one exception—excellent, both qualitatively and quantitatively, and is achieved with a single adjustable parameter. The model predicts that the embedded island shape is invariant with size, manifest both by constant side slope and by constant aspect ratio. This prediction is rationalized by dimensional analysis of the relevant energetic contributions. The aspect ratio of an embedded Cu cluster is much larger than that of a supported but non-embedded Cu cluster, due to resistance of the graphene membrane to deformation. Experimental data diverge from the model predictions only in the case of the aspect ratio of small islands, below a critical height of ~10 nm. The divergence may be due to bending strain, which is treated only approximately in the model. Strong support for the CE model and its interpretation is provided by additional data for embedded Fe clusters. Most of these observations and insights should be generally applicable to systems where a metal cluster is embedded beneath a layered material or supported membrane, provided that shape equilibration is possible.

Julien, Scott↗

Dust Density Distribution and Imaging Analysis of Different Ice Lines in Protoplanetary Disks

Recent high angular resolution observations of protoplanetary disks at different wavelengths have revealed several kinds of structures, including multiple bright and dark rings. Embedded planets are the most used explanation for such structures, but there are alternative models capable of shaping the dust in rings as it has been observed. We assume a disk around a Herbig star and investigate the effect that ice lines have on the dust evolution, following the growth, fragmentation, and dynamics of multiple dust size particles, covering from 1 μ m to 2 m sized objects. We use simplified prescriptions of the fragmentation velocity threshold, which is assumed to change radially at the location of one, two, or three ice lines. We assume changes at the radial location of main volatiles, specifically H{sub 2}O, CO{sub 2}, and NH{sub 3}. Radiative transfer calculations are done using the resulting dust density distributions in order to compare with current multiwavelength observations. We find that the structures in the dust density profiles and radial intensities at different wavelengths strongly depend on the disk viscosity. A clear gap of emission can be formed between ice lines and be surrounded by ring-like structures, in particular between the H{sub 2}O and CO{sub 2} (or CO). The gaps are expected to be shallower and narrower at millimeter emission than at near-infrared, opposite to model predictions of particle trapping. In our models, the total gas surface density is not expected to show strong variations, in contrast to other gap-forming scenarios such as embedded giant planets or radial variations of the disk viscosity.

79 ASTRONOMY AND ASTROPHYSICS↗

A general model of the planetary radiation pressure on a satellite with a complex shape

The purpose of this paper is to present a general model for the acceleration exerted on a spacecraft by the radiation coming from a planet. Both the solar radiation reflected by the planet and the thermal emission associated with its temperature are considered. The planet albedo and the planet emissive power are expanded in spherical harmonics with respect to an equatorial reference frame attached to the planet. The satellite external surface is assumed to consist of a juxtaposition of planar surfaces. A particular choice of variables allows to reduce the surface integrals over the lit portion of the planet visible to the satellite to one-dimension integrals.

Borderies, Nicole↗

Changes of the Thermodynamic Properties at Isochoric and Isobaric Decrease of the Silicon Nanocrystal Size

Equation of state P(ν/ν{sub o}) and the baric dependences of the lattice and surface properties of silicon macro- and nanocrystals have been calculated using the method of calculation of crystal properties from the pair Mie–Lennard-Jones interatomic potential and the RP-model of nanocrystal. The isothermal dependences of P(ν/ν{sub o}) for the macro- and the nanocrystal are shown to be intersected at a certain value of relative volume (ν/ν{sub o}){sub 0}. The surface pressure becomes zero at the intersection point (at (ν/ν{sub o}){sub 0}). The value of (ν/ν{sub o}){sub 0} decreases upon isomorphic–isomeric increase in temperature and also at isomorphic–isothermic decrease in the number of atoms N in the nanocrystal, or at isomeric–isothermic deviation of the nanocrystal shape from the most energetically optimal shape (in the RP-model, this shape is a cube). The obtained equation of state is used to study the changes of the silicon properties at isochoric (ν/ν{sub o} = 1) and also isobaric (P = 0) decrease in N at temperatures 300 and 1000 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Introduction to and comparison of deep learning and optimization approaches to analytical wake modeling of a tilted wind turbine

This paper introduces innovative optimization and deep learning techniques to enhance the prediction of complex wake dynamics in the downstream wind velocity of tilted wind turbines. Traditional methods for calibrating the Bastankhah wake model often lead to increased errors in wind velocity distribution due to overfitting of the local wake characteristics. To address this issue, we propose an additional global optimization step to reduce errors in wind velocity predictions with respect to various wake parameters. Despite this improvement, the Bastankhah model's axisymmetric Gaussian wake shape limits its accuracy for complex wake structures. Therefore, we also propose a deep learning approach, which demonstrates promising results by accurately modeling complex wake shapes across a broader range of tilt angles with minimal computational cost. The deep learning approach achieves near-identical predictions to high-fidelity large-eddy simulations, representing a promising advancement in wake modeling.

17 WIND ENERGY↗

Low- ν method with LHC neutrinos

The Forward Physics Facility (FPF) plans to use neutrinos produced at the Large Hadron Collider to make a variety of measurements at previously unexplored TeV energies. Its primary goals include precision measurements of the neutrino cross section and using the measured neutrino flux both to uncover information about far-forward hadron production and to search for various beyond standard model scenarios. However, these goals have the potential to conflict: Extracting information about the flux or cross section relies upon an assumption about the other. In this paper, we demonstrate that the FPF can use the low- ν method—a technique for constraining the flux shape by isolating neutrino interactions with low energy transfer to the nucleus—to break this degeneracy. We show that the low- ν method is effective for extracting the ν μ flux shape, in a model-independent way. We discuss its application for extracting the ν ¯ μ flux shape but find that this is significantly more model dependent. Finally, we explore the precision to which the ν μ flux shape could be constrained at the FPF for a variety of proposed detector options. We find that the precision would be sufficient to discriminate between various realistic flux models. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Planar optical waveguide for refractive index determining with high sensitivity and dual-band characteristic for Nano-sensor application

In this paper, we develop an optical waveguide based on metal–insulator-metal as a refractive index sensor with dual-band feature and a high figure of merit (FOM) and sensitivity. In this model, we utilize a Z-shape slot based on two stubs model in both metal layers and this structure is placed over a dielectric layer of SiO{sub 2} as a substrate for planar application in the optical systems. In addition, the parametric studies are used to clarifying the elements influence on controlling the transmission and working frequency to achieve a dual-band characteristic at 1550 and 3100 nm which is suitable for optical fiber application. In fact, the compound stubs technique is suggested to modify the resonances of the waveguide for dual-band attributes based on the transmission line model. We simulate this waveguide using the Finite Integrated Technique (FIT) method. It is supposed that the waveguide is filled by various materials with the different refractive indexes in the range of 1 to 1.5. We obtain the FOM for these materials while the Fano response provides high FOM about the 3800 RIU{sup −1} and the sensitivity is 1790 nm/RIU. Therefore, the compound stubs strategy help to improve the FOM factor in the optical waveguide.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Primary Processing Parameters, Porosity Production, and Fatigue Prediction for Additively Manufactured Alloy 718

Powder bed fusion processes commonly introduce voids and defects into components. It has been shown that many of these features and their size and shape characteristics are controllable through process parameter manipulation, but this process is typically time-consuming and expensive. In spite of this, an experiment was developed to explore a wide region of laser powder bed fusion process space, and several void measurements were obtained to characterize component density percentage, pore size, and pore shape. Then, multiple models commonly used in the literature to predict porosity were examined and compared with the experimental data. Using the developed porosity model, a fatigue life prediction framework was adapted, and the predictions were compared to the previously published experimental data. Results of this investigation reveal the strengths and weaknesses of multiple literature models in predicting porosity, and they depict how porosity and resulting fatigue lives vary across process space.

36 MATERIALS SCIENCE↗

Effect of Surface Site Interactions on Potentiometric Titration of Hematite (α-Fe2O3) Crystal Faces

Time dependent potentiometric pH titrations were used to study the effect of atomic scale surface structure on the protonation behavior of the structurally well defined hematite/aqueous electrolyte interfaces. Our recently proposed thermodynamic model [1,23] was applied to measured acidimetric and alkalimetric titration hysteresis loops, collected from highly organized (001), (012), and (113) crystal face terminations using pH equilibration times ranging from 15 to 30 mins. Hysteresis loop areas indicate that (001) faces equilibrate faster than the (012) and (113) faces, consistent with the different expected ensembles of singly, doubly, and triply coordinated surface sites on each face. Strongly non-linear hysteretic pH-potential relationships were found, with slopes exceeding Nernstian, collectively indicating that protonation and deprotonation is much more complex than embodied in present day surface complexation models. The asymmetrical shape of the acidimetric and alkalimetric titration branches were used to illustrate a proposed steric "leaky screen" repulsion/trapping interaction mechanism that stems from high affinity singly-coordinated sites electrostatically and sterically screening lower affinity doubly and triply coordinated sites. Our data indicate that site interaction is the dominant phenomenon defining surface potential accumulation behavior on single crystal faces of metal oxide minerals.

Environmental Molecular Sciences Laboratory↗

Hyperfine structure and isotope shifts of xenon measured for near-infrared transitions with Doppler-free saturated absorption spectroscopy

Hyperfine structure and isotope shifts of Xe were investigated with Doppler-free saturated absorption spectroscopy for all transitions in the 820-841 nm spectral interval. The Xe samples were commercial gases of natural isotopic abundances. The measurements were performed by employing a widely tunable narrow line Ti:sapphire laser. The hyperfine structures for 129 Xe and 131 Xe were well resolved. For the transitions with the wavelengths in vacuum near 820.860 nm and 841.150 nm also isotope shifts of the even isotopes were clearly observed. The modeling of the shapes of the observed absorption lines qualitatively reproduces experimental spectral profiles. The measured absorption peaks of the hyperfine structure and isotope shifts of Xe isotopes present characteristic spectral fingerprints for their identification. Eventually, quantitative spectral analysis will provide isotopic abundances of natural, as well as radioactive Xe gas samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

POLARRIS: A POLArimetric Radar Retrieval and Instrument Simulator

This paper introduces a synthetic polarimetric radar simulator and retrieval package, POLArimetric Radar Retrieval and Instrument Simulator (POLARRIS), for evaluating cloud-resolving models (CRMs). POLARRIS is composed of forward (POLARRIS-f) and inverse (retrieval and diagnostic) components (iPOLARRIS) to generate not only polarimetric radar observables ($Z_h, Z_{dr}, K_{dp}, ρ_{hv})$ but also radar-consistent geophysical parameters such as hydrometeor identification, vertical velocity, and rainfall rates retrieved from CRM data. To demonstrate its application and uncertainties, POLARRIS is applied to simulations of a mesoscale convective system over the Southern Great Plains on 23 May 2011, using the Weather Research and Forecasting model with both spectral bin microphysics (SBM) and the Goddard single-moment bulk 4ICE microphysics. Statistical composites reveal a significant dependence of simulated polarimetric observables $(Z_{dr}, K_{dp})$ on the assumptions of the particle axis ratio (oblateness) and orientation angle distributions. We note the simulated polarimetric variables differ considerably between the SBM and 4ICE microphysics in part due to the differences in their ice particle size distributions as revealed by comparisons with aircraft measurements. Regardless of these uncertainties, simulated hydrometeor identification distributions overestimate graupel and hail fractions, especially from the simulation with SBM. To minimize uncertainties in forward model, the particle shape and orientation angle distributions of frozen particles should be predicted in a microphysics scheme in addition to the size distributions and particle densities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Gate-free state preparation for fast variational quantum eigensolver simulations

Abstract The variational quantum eigensolver is currently the flagship algorithm for solving electronic structure problems on near-term quantum computers. The algorithm involves implementing a sequence of parameterized gates on quantum hardware to generate a target quantum state, and then measuring the molecular energy. Due to finite coherence times and gate errors, the number of gates that can be implemented remains limited. In this work, we propose an alternative algorithm where device-level pulse shapes are variationally optimized for the state preparation rather than using an abstract-level quantum circuit. In doing so, the coherence time required for the state preparation is drastically reduced. We numerically demonstrate this by directly optimizing pulse shapes which accurately model the dissociation of H 2 and HeH + , and we compute the ground state energy for LiH with four transmons where we see reductions in state preparation times of roughly three orders of magnitude compared to gate-based strategies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗