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At least 865 records · Page 48

Metaplectic geometrical optics for ray-based modeling of caustics: Theory and algorithms

The optimization of radio frequency-wave (RF) systems for fusion experiments is often performed using ray-tracing codes, which rely on the geometrical-optics (GO) approximation. However, GO fails at caustics such as cutoffs and focal points, erroneously predicting the wave intensity to be infinite. This is a critical shortcoming of GO, since the caustic wave intensity is often the quantity of interest, e.g., RF heating. Full-wave modeling can be used instead, but the computational cost limits the speed at which such optimizations can be performed. Here, we have developed a less expensive alternative called metaplectic geometrical optics (MGO). Instead of evolving waves in the usual x (coordinate) or k (spectral) representation, MGO uses a mixed X$\equiv$Ax+Bk representation. By continuously adjusting the matrix coefficients A and B along the rays, one can ensure that GO remains valid in the X coordinates without caustic singularities. The caustic-free result is then mapped back onto the original x space using metaplectic transforms. Here, we overview the MGO theory and review algorithms that will aid the development of an MGO-based ray-tracing code. We show how using orthosymplectic transformations leads to considerable simplifications compared to previously published MGO formulas. We also prove explicitly that MGO exactly reproduces standard GO when evaluated far from caustics (an important property that until now has only been inferred from numerical simulations), and we relate MGO to other semiclassical caustic-removal schemes published in the literature. Finally this discussion is then augmented by an explicit comparison of the computed spectrum for a wave bounded between two cutoffs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Magnetic field properties in non-axisymmetric divertors

Stellarator power plants require a plan for the removal of the particles and the heat that are exhausted across the plasma edge. Unless a flowing liquid metal can be used to carry the helium exhaust to places where it can be removed from the plasma chamber, the particle exhaust must be magnetically diverted into pumping chambers. Studies are required to determine how magnetic features relate to the required divertor properties, how these magnetic features can be produced, and how they can be controlled. General studies are clarified and simplified by the use of the magnetic field line Hamiltonian $ψ_p(ψ,θ,φ)$ and a vector $\vec{x}(ψ,θ,φ)$ that gives the point in space associated with each point in the $(ψ,θ,φ)$ canonical coordinates, a flux and two angles. The non-resonant Fourier terms in ψp can be removed by a canonical transformation, so only resonant Fourier terms can determine the field line properties in the plasma edge and divertor. This paper discusses the important divertor properties and explains how $ψ_p(ψ,θ,φ)$ and $\vec{x}(ψ,θ,φ)$ can be obtained numerically in a special form for any stellarator magnetic field, $\vec{B}(\vec{x})$. This form holds between an arbitrary magnetic surface and the chamber walls with the non-resonant terms eliminated. Studies based on variations in the terms in such derived field-line Hamiltonians can determine what magnetic features are mathematically possible and how they could be produced and controlled by the external magnetic field coils.

Physics↗

Asymptotic spinspacetime

We show that Poincaré invariance directly implies the existence of a complexified Minkowski space whose real and imaginary directions unify spacetime and spin, which we dub spinspacetime. Despite the intrinsic noncommutativity of spin, spinspacetime exhibits mutually commuting holomorphic coordinates. Its twistorial construction derives the Newman-Janis shift property of spinning black holes by massive half-Fourier transforming complexified on shell kinematics, which encode a spinning analog of equivalence principle.

Classical black holes↗

Amorphization in extreme deformation of the CrMnFeCoNi high-entropy alloy

Ever-harsher service conditions in the future will call for materials with increasing ability to undergo deformation without sustaining damage while retaining high strength. Prime candidates for these conditions are certain high-entropy alloys (HEAs), which have extraordinary work-hardening ability and toughness. By subjecting the equiatomic CrMnFeCoNi HEA to severe plastic deformation through swaging followed by either quasi-static compression or dynamic deformation in shear, we observe a dense structure comprising stacking faults, twins, transformation from the face-centered cubic to the hexagonal close-packed structure, and, of particular note, amorphization. The coordinated propagation of stacking faults and twins along {111} planes generates high-deformation regions, which can reorganize into hexagonal packets; when the defect density in these regions reaches a critical level, they generate islands of amorphous material. These regions can have outstanding mechanical properties, which provide additional strengthening and/or toughening mechanisms to enhance the capability of these alloys to withstand extreme loading conditions.

36 MATERIALS SCIENCE↗

The far field diffraction pattern for corner reflectors with complex reflection coefficients

The far field diffraction pattern of a geometrically perfect corner reflector is examined analytically for normally incident monochromatic light. The states of polarization and the complex amplitudes of the emerging light are expressed through transformation matrices in terms of those of the original incident light for each sextant of the face in a single coordinate system. The analytic expression of the total diffraction pattern is obtained for a circular face. This expression consists of three component functions in addition to the basic Airy function. The coefficient of each function is expressed in terms of complex coefficients of reflectance of the reflecting surface. Some numerical results for different reflecting surfaces, including total internal reflection, are presented. The iso-intensity contours of the diffraction pattern evaluated from the analytical expressions for an uncoated solid corner reflector are also presented along with the photographs of the pattern.

Chang, R. F.↗

Application of spherical near-field measurements to microwave holographic diagnosis of antennas

Microwave diagnosis of antennas is considered as a viable tool for the determination of reflector surface distortions and location of defective radiating elements of array antennas. A hybrid technique based on the combination of the spherical near-field measurements and holographic metrology reconstruction is presented. The measured spherical near-field data are first used to construct the far-field amplitude and phase patterns of the antenna on specified regularized u-nu coordinates. These data are then utilized in the surface profile reconstruction of the holographic technique using a fast-Fourier-transform (FFT)/iterative approach. Results of an experiment using a 156-cm reflector antenna measured at 11.3 GHz are presented for both the original antenna and the antenna with four attached bumps. Several contour and gray-scaled plots are presented for the reconstructed surface profiles of the measured antennas. The recovery effectiveness of the attached bumps has been demonstrated. The hybrid procedure presented is used to assess the achieved accuracy of the holographic reconstruction technique because of its ability to determine very accurate far-field amplitude and phase data from the spherical near-field measurements.

Rahmat-Samii, Yahya↗

Burnett solutions along the stagnation line of a cooled cylinder in low-density hypersonic flows

The Burnett equations in the cylindrical coordinate system have been applied to the hypersonic flow over a cylinder in low density environments. Through a local similarity transformation, the Burnett equations are degenerated into nonlinear third-order ordinary differential equations which are only valid along the stagnation line. These equations are solved by the multi-staged Runge-Kutta integration technique. Steady state solutions are asymptotically reached by the time-marching procedure. A newly-developed computer code is used to solve both the Navier-Stokes and the Burnett equations within the shock layer. The computed heat transfer coefficients are consistent with wind-tunnel and STS flight data. Comparisons with the DSMC solutions and the Boltzmann solutions show that the Burnett equations are more appropriate as the governing equations than the Navier-Stokes equations in the transitional flow regime.

Liaw, G. S.↗

NASA Lunar Surface Innovation Initiative: Ensuring a Cohesive, Executable Strategy for Technology Development

Establishing a sustainable human presence on the Moon allows NASA to develop and test new approaches, technologies, and systems that will enable us to function in other, more challenging environments. The Lunar Surface Innovation Initiative (LSII) was established in 2019 and has evolved into a key agency asset to spur technology development and provide risk reduction for lunar surface system development and flight demonstrations. LSII coordinates activities implemented through a combination of in-house activities, competitive programs, and public-private partnerships to create transformative technologies needed for lunar surface exploration. This paper will outline the LSII model used to develop a technology pipeline that will retire the primary technology hurdles in six capability areas. In-situ resource utilization technologies for collecting, processing, storing, and using material found or manufactured on the Moon. Surface power technologies that provide the capability for sustainable, continuous power throughout the day and night for lunar missions. Dust mitigation strategies that diminish lunar dust hazards on lunar surface systems such as cameras, solar panels, space suits, habitats, and instrumentation. Extreme environments technologies that enable systems to operate throughout the full range of lunar surface conditions, including lunar noon (up to 150 at the equator), night (down to - 180 at the equator), multiple day/night cycles, and in permanently shadowed regions (down to -250). Extreme access technologies that enable humans or robotic systems to access, navigate, and explore previously inaccessible lunar surface or subsurface areas. Excavation and construction technologies that will allow affordable, autonomous manufacturing or construction. We outline key results, including milestones and achievements related to the capability areas and outcomes from partnerships with the commercial sector. A key tenet of the LSII is the Lunar Surface Innovation Consortium (LSIC), a collaboration across industry, academia, and government to successfully develop the transformative capabilities for lunar surface exploration. LSIC provides a forum for NASA to communicate technological requirements, needs, and opportunities and for the community to share existing capabilities and identify critical gaps with NASA. By working side by side with commercial enterprises and our international partners, NASA is able to combine the knowledge and expertise needed to explore the lunar surface and make technical advances that will feed technological and economic growth. Since its inception, LSII has engaged over 600 organizations across the United States and 46 countries to shape the technologies and systems needed to explore the lunar surface and stimulate a lunar surface economy.

lunar, lunar surface, technology development, ISRU↗

NASA Lunar Surface Innovation Initiative: Ensuring a Cohesive, Executable Strategy for Technology

Establishing a sustainable human presence on the Moon allows NASA to develop and test new approaches, technologies, and systems that will enable us to function in other, more challenging environments. The Lunar Surface Innovation Initiative (LSII) was established in 2019 and has evolved into a key agency asset to spur technology development and provide risk reduction for lunar surface system development and flight demonstrations. LSII coordinates activities implemented through a combination of in-house activities, competitive programs, and public-private partnerships to create transformative technologies needed for lunar surface exploration. This paper will outline the LSII model used to develop a technology pipeline that will retire the primary technology hurdles in six capability areas. In-situ resource utilization technologies for collecting, processing, storing, and using material found or manufactured on the Moon. Surface power technologies that provide the capability for sustainable, continuous power throughout the day and night for lunar missions. Dust mitigation strategies that diminish lunar dust hazards on lunar surface systems such as cameras, solar panels, space suits, habitats, and instrumentation. Extreme environments technologies that enable systems to operate throughout the full range of lunar surface conditions, including lunar noon (up to 150 at the equator), night (down to - 180 at the equator), multiple day/night cycles, and in permanently shadowed regions (down to -250). Extreme access technologies that enable humans or robotic systems to access, navigate, and explore previously inaccessible lunar surface or subsurface areas. Excavation and construction technologies that will allow affordable, autonomous manufacturing or construction. We outline key results, including milestones and achievements related to the capability areas and outcomes from partnerships with the commercial sector. A key tenet of the LSII is the Lunar Surface Innovation Consortium (LSIC), a collaboration across industry, academia, and government to successfully develop the transformative capabilities for lunar surface exploration. LSIC provides a forum for NASA to communicate technological requirements, needs, and opportunities and for the community to share existing capabilities and identify critical gaps with NASA. By working side by side with commercial enterprises and our international partners, NASA is able to combine the knowledge and expertise needed to explore the lunar surface and make technical advances that will feed technological and economic growth. Since its inception, LSII has engaged over 600 organizations across the United States and 46 countries to shape the technologies and systems needed to explore the lunar surface and stimulate a lunar surface economy.

Lunar↗

Single Crystals of Vanadium Oxides as a Lens for Understanding Structural and Electronic Phase Transformations, Ion Transport, Chemo-Mechanical Coupling, and Electrothermal Neuronal Emulation

Vanadium oxides cystallize in a diverse array of structures and compositions arising from the redox versatility of vanadium, variable covalency of V−O bonds, and myriad coordination geometries. Their open frameworks present abundant interstitial sites that enable insertion of guest-ions. In such compounds, V3d electron and spin localization and disorder couple strongly to structural preferences. The rich structural diversity manifests as a “rugged” free energy landscape with multiple interconvertible polymorphs. Such a landscape sets up structural, electronic, and magnetic transitions that underpin the promise of these materials as ion-insertion battery electrodes; compact primitives for brain-inspired computing, and heterogeneous catalysts. Here, we examine the structural and compositional diversity, electronic instabilities, defect dynamics, structure transformations, mechanical properties, and surface structure of vanadium oxides using single crystals as a distinctive lens. Single crystals enable the measurement of structure−function correlations without the ensemble and orientational averaging inevitable in polycrystalline materials. Their well-defined surfaces further enable examination of facet-dependent reactivity toward molecular adsorbates, ion fluxes, and lattice (mis)matched solids. We provide a comprehensive account of vanadium-oxide single-crystal studies, from delineation of common structural motifs to single-crystal growth techniques, topochemical modification strategies, mechanisms underpinning electronic instabilities, and implementation as electrothermal neurons and battery electrode materials.

Ponis, John [Texas A&M University, College Station↗

Atomic Structure, Dynamics, Changes in Chemical Bonding and Semiconductor-Metal Transition in Sb 2 Se 3 : A Remarkable Material for Quantum Networks and Energy Applications

Antimony sesquiselenide has become an outstanding functional material for photovoltaics, energy storage and transformation, memory and photonic applications. Sb 2 Se 3 is one of the most successful emerging solar light absorbers and has also been identified as a highly promising ultralow-loss phase-change material (PCM) for next-generation coherent nanophotonic processors, photonic tensor cores, quantum and neuromorphic networks. Unlike benchmark telluride PCMs, Sb 2 Se 3 features a quasi-one-dimensional (1D) crystalline structure consisting of (Sb 4 Se 6 ) ∞ ribbons, lacks the typical PCM chemical bonding, and undergoes an extended semiconductor-metal transition above the melting point. Consequently, the origin of high optical contrast between crystalline (SET) and amorphous (RESET) logic states remains elusive and presents a significant challenge. Using high-energy X-ray diffraction and Raman spectroscopy over a wide temperature range, supported by first-principles simulations and complemented by thermal, optical and electrical measurements, as well as by 121 Sb-Mossbauer spectroscopy, the quasi-1D network of orthorhombic antimony sesquiselenide was found to undergo significant evolution in amorphous and supercooled Sb 2 Se 3 , leading to lower coordination, shorter interatomic distances and a higher p-electron density on antimony, indicating changes in chemical bonding. The observed novel Sb 2 Se 3 nanocrystalline polymorph, characterized by trigonal antimony coordination and more isolated Sb-Se ribbons, could help reduce multiple trapping defect states in the bandgap, which are typical of orthorhombic Sb 2 Se 3 , thereby enhancing the power-conversion efficiency of photovoltaic devices. Semimetallic and metallic liquid Sb 2 Se 3 exhibit a gradual transformation into a denser 2D and/or 3D network with higher antimony coordination. Localized electron states in the pseudogap are becoming extended, leading to an increase in electronic conductivity σ following the relationship σ ∝ N(E F ) 2 . Liquid Sb 2 Se 3 also appears to be strongly fragile, with a nonmonotonic change in viscosity and higher atomic mobility in the metallic liquid. Furthermore, these results explain extraordinary functionalities of Sb 2 Se 3 for photonic and energy applications.

antimony↗

Metal-organic frameworks for the adsorption and catalytic transformations of carbon dioxide

Novel crystalline porous materials known as metal-organic frameworks (MOFs) and methods for their synthesis are provided herein. The MOFs include a M6(μ3-OH)8(OH)8(μ2,η2-(O2C)2cyclam)8 cluster, and a metal atom coordinated to the one or more cyclam of the cluster, wherein M is Zr or Hf, and the metal atom is any one of Cu, Ni, Cr, Ru, Co, and Gd. The MOFs can be used as an adsorbent, alone or in a medium with other components, of CO2. The MOFs can also be used as a catalyst for the transformation of CO2 and epoxides to cyclic carbonates. The MOFs can also be used in the electrochemical catalytic reduction of CO2. The MOFs can also be used for photocatalytic CO2 reduction for the production of carbon-based fossil fuels. The MOFs can also be used for light-induced nitric oxide (NO) release. The MOFs can also be used as magnetic resonance imaging (MRI) agents.

Morris, Amanda Jean↗

High-resolution Y-axis readout for delay-line microchannel anodes

We have devised a method to obtain a high-resolution Y-axis event position determination from microchannel plate delay-line detectors. The method is based on the double-delay-line wedge-wedge charge partition principle of Lampton et al. (1990), where the X axis is read out by a pair of side-by-side delay lines and the Y-axis coordinate is determined by comparing the charges on the two parallel delay lines. However, our new method abandons the common field return path of the two delay lines, and splits them into two adjacent but independent transformer coupled timing circuits having no common ground connection except via the charge-measurement amplifiers. Thus we eliminate the large electrostatic capacitance of the delay lines from the input of the charge-measuring system. Over its limited working field, the spatial resolution in the Y coordinate can easily equal the resolution provided in the X coordinate by the delay line. Applications to extreme and FUV photon-counting spectroscopy are envisioned.

Raffanti, R.↗

Anatase TiO 2 Surface Hydration: Infrared Vibrational Assignment and Facet-Specific Stability

Anatase TiO 2 nanoparticles support a subtle diversity of surface aqua and hydroxy coordination environments that are characteristic of distinct facets and defect sites. The disparate properties and stability of each molecularly or dissociatively absorbed water environment may provide unique reactivity for facet- and site-selective atomic layer deposition (ALD). Here we probe the temperature-dependent and facet-specific stretching frequency and stability of surface hydroxyls on faceted anatase TiO 2 nanoparticles via in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). Well-defined truncated octahedra, disks, and rods fabricated through hydrothermal synthesis present dominant (101), (001), and (010) facets, respectively. The selective dehydration of discrete local coordination environments as a function of temperature provides a potential pathway to site-selective and facet-selective ALD on metal oxide nanomaterials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Resolving local ordering and structure in Mn x Ge 1- x Te alloys through thermodynamic ensembles of pair distribution functions

Characterizing local bonding environments in complex materials is essential for understanding and optimizing their properties. Equally as important is the ability to predict local motifs as a function of synthesis conditions, enhancing chemists’ ability to design properties into materials. In this study, we present an approach to leverage statistical mechanics to generate temperature- and energy-informed ensemble averaged pair distribution functions (PDFs). This method, which we have named Thermodynamic Ensemble Averages of PDFs for Ordering and Transformations (TEAPOT), utilizes density functional theory (DFT) to relax supercells while incorporating energetic penalties for local order, enabling accurate and computationally efficient analysis of local structure. We apply this method to the neutron PDF measurements of the pseudobinary MnTe–GeTe (MGT) alloy, demonstrating its capability to resolve complex local distortions and chemical ordering. Our results reveal detailed insights into phase transformations and local distortions driven by Mn substitution. For compositions that globally present as rock salt, our analysis reveals that Ge coordination geometry is heavily impacted by synthesis temperature. We propose that high temperature synthesis conditions promote a lowered Ge polyhedra distortion, promoting high charge carrier mobility due to the alignment of local and global structure. Incorporating statistical mechanics and computation into experimental analysis thus guides synthesis of tailored local structure.

36 MATERIALS SCIENCE↗

hkl-projects/ioc-hkl

HKL-IOC is an open source EPICS IOC that performs real‑time crystallographic HKL calculations for diffractometers and scattering instruments. It integrates the Python hkl library with EPICS through PyDevice, exposing HKL calculations and diffractometer geometry transformations as standard EPICS process variables. This allows beamline and laboratory control systems to convert between motor positions and reciprocal‑space coordinates, configure diffractometer geometries, and drive scans directly in HKL space. The software is written in Python and designed to run alongside existing EPICS deployments without requiring changes to core EPICS components. It is intended for use at synchrotron and neutron scattering facilities, as well as laboratory X‑ray diffractometers, where reliable and reproducible HKL calculations are needed for experiment control, data collection, and automation. HKL-IOC is distributed under the GNU General Public License v3.0 (GPL‑3.0) and contributions and extensions for additional geometries and beamlines are welcomed.

Baekey, Alex↗

Evaluation of lattice sums by the Poisson sum formula

The Poisson sum formula was applied to the problem of summing pairwise interactions between an observer molecule and a semi-infinite regular array of solid state molecules. The transformed sum is often much more rapidly convergent than the original sum, and forms a Fourier series in the solid surface coordinates. The method is applicable to a variety of solid state structures and functional forms of the pairwise potential. As an illustration of the method, the electric field above the (100) face of the CsCl structure is calculated and compared to earlier results obtained by direct summation.

Ray, R. D.↗