Continuous and Discrete Baroclinic Modes in Continuously Varying Stratification
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Mathematics↗
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Derivation and verification of the direct-sampling method for simulating Monte Carlo flight paths in tetrahedral meshes with linear finite-element cross sections
This paper provides a derivation of a direct-sampling approach for modeling continuously varying cross sections in tetrahedral-mesh-based Monte Carlo codes. Specifically, cross sections are spatially approximated using linear nodal finite elements. A linearization strategy is provided for non-linearly varying cross sections. The method is verified against seven analytical pure-absorber test problems. These test problems also highlight the benefit of using linear finite elements over element-wise-constant cross sections.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Standoff Detection of Chemical Plumes Using Swept-ECQCL Remote Detection Technology: Results from EMRTC Complex Terrain Dual Tracer Experiment
As part of the Complex Terrain Dual Tracer Experiments performed in support of the LYNM program, a swept-wavelength external cavity quantum cascade laser (swept-ECQCL) remote detection system was deployed to measure chemical plume propagation with high temporal resolution. The swept-ECQCL remote detection technology was initially developed at PNNL, and is now under further development at Opticslah, LLC under SBIR funding from DOE (DOE SBIR Phase I Project DE-SC0019855, Remote Detection Technologies, Program Manager Chris Ramos). The swept-ECQCL technology provides a single-frequency infrared laser source which is rapidly scanned over a large wavelength range to measure the infrared absorption of gases, liquids, or solids. Analysis of the measured infrared absorption spectrum is used to detect, identify, and quantify the chemical species which are present. While most previous laser-based techniques used small wavelength tuning ranges to measure only a few isolated spectral lines of a few species, the swept-ECQCL provides the large tuning range needed to measure multiple species simultaneously, and to detect broad absorption features from large molecules or condensed phase materials. In addition, the swept-ECQCL systems have high enough spectral resolution and sensitivity to measure narrow lines of small molecules and determine isotope ratios. The remote detection system for gas plumes is based on the swept-ECQCL technology, and consists of a swept-ECQCL source, infrared detector, control electronics, and beam transmitting and alignment optics. The remote detection system directs the infrared output of the swept-ECQCL to a target retro reflector typically located at ~10-10,000 m distance. The swept-ECQCL wavelength is varied continuously over a large wavelength range (>1000 nm) at rates up to 1000 Hz. The swept ECQCL light reflected from the remote target is collected and focused onto an infrared photodetector. By measuring the detector signal continuously as the swept-ECQCL wavelength is varied, a time-series of absorption spectra are measured for the gases along the beam line of-sight. Based on analysis and fitting of the measured absorption spectra, the time-dependent chemical concentrations of species are determined. Multiple species and mixtures can be detected simultaneously, for all species with absorption features above the sensor noise floor. The sensor output is thus a continuous, high-speed record of identified chemicals along with their concentrations and isotope ratios of interest. The high-speed operation enables low-noise operation in conditions of atmospheric turbulence and allows tracking of fluctuating concentrations in transient chemical plumes as needed for reliable remote detection applications. All components operate with minimal cooling requirements and no cryogens are needed. In addition, the output infrared light is invisible with an intensity below the maximum permissible exposure (MPE) threshold of 100 mW/cm2 for these infrared wavelengths and thus eye safe. The measurement concept for plume detection using the swept-ECQCL remote detection system is as follows. The ECQCL beam is directed toward a remote retro-reflector, which reflects the beam back to the ECQCL system where it is focused onto an infrared photodetector. The line-of-sight from the ECQCL system to the retro-reflector defines the measurement path. The detected infrared signal is recorded continuously and detects the absorption of molecular species along the measurement path. Before a plume release, the system measures absorption from atmospheric constituents, which in this LWIR band consist primarily of lines from H 2 O and CO 2 , with additional weaker absorption from N 2 O, NH 3 , and O 3 possibly contributing. The system then measures any changes in absorption due to the tracer compounds when they enter the measurement path. The shape of absorption features is used to distinguish and identify the different tracer compounds, and the strength of the absorption is used to determine the path-integrated concentration – also called the column density.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
The Buckling Spectra of Nanoparticle Surfactant Assemblies
Fine control over the mechanical properties of thin sheets underpins transcytosis, cell shape, and morphogenesis. Applying these principles to artificial, liquid-based systems has led to reconfigurable materials for soft robotics, actuation, and chemical synthesis. However, progress is limited by a lack of synthetic two-dimensional membranes that exhibit tunable mechanical properties over a comparable range to that seen in nature. In this study, we show that the bending modulus, B , of thin assemblies of nanoparticle surfactants (NPSs) at the oil–water interface can be varied continuously from sub- k B T to 10 6 k B T , by varying the ligands and particles that comprise the NPS. We find extensive departure from continuum behavior, including enormous mechanical anisotropy and a power law relation between B and the buckling spectrum width. Our findings provide a platform for shape-changing liquid devices and motivate new theories for the description of thin-film wrinkling.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Analysis of a Continuous Halbach Array Permanent Magnet Motor for Electric Vehicles
Permanent magnets spirals with continuously varying magnetization directions to replace Halbach arrays have recently been developed. Ideal sinusoidal fields with the desired polarity are created in the machine airgap. In this paper we propose to compare a motor initially designed with a conventional discrete Halbach array with the innovative continuous Halbach array magnets. The continuous Halbach array comprises bonded magnets manufactured from anisotropic powder aligned and compacted without a bonding agent. The paper focuses on the impact of using these magnets on the performance of a motor designed for electric vehicle applications using 2D and 3D FEA simulations. The baseline motor is a 50-kW outrunner motor designed for light duty electric vehicles
Rallabandi, Vandana↗
Deciphering phase evolution in complex metal oxide thin films via high-throughput materials synthesis and characterization
Discovery of structure-property relationships in thin film alloys of complex metal oxides enabled by high-throughput materials synthesis and characterization facilities is demonstrated here with a case-study. In this study, thin films of binary transition metal oxides (Ti–Zn) are prepared by pulsed laser deposition with continuously varying Ti:Zn ratio, creating combinatorial samples for exploration of the properties of this material family. The atomic structure and electronic properties are probed by spatially resolved techniques including x-ray absorption near edge structures (XANES) and x-ray fluorescence (XRF) at the Ti and Zn K-edge, x-ray diffraction, and spectroscopic ellipsometry. The observed properties as a function of Ti:Zn ratio are resolved into mixtures of five distinguishable phases by deploying multivariate curve resolution analysis on the XANES spectral series, under constraints set by results from the other characterization techniques. First-principles computations based on density function theory connect the observed properties of each distinct phase with structural and spectral characteristics of crystalline polymorphs of Ti–Zn oxide. Continuous tuning of the optical absorption edge as a function of Ti:Zn ratio, including the unusual observation of negative optical bowing, exemplifies a functional property of the film correlated to the phase evolution.
36 MATERIALS SCIENCE↗
Hybrid Additive Manufacturing of Island Grain Bicrystals
We demonstrate cylindrical island grain bicrystals grown via a hybrid additive manufacturing/directional solidification technique. The island grain bicrystal is formed using a specialized mold in which one grain (the island) is enveloped by another larger grain (the surrounding matrix). The grain boundary plane orientation varies continuously around the circumference of the island grain, making these specimens ideal for probing grain boundary structure–property relations. We report thermal groove angle measurements along the grain boundary in a tin island grain bicrystal which show the grain boundary energy as a function of a single degree of freedom in the five-dimensional grain boundary parameter space.
Ware, Logan↗
Conceptual design of ELM control coils for the TCABR tokamak
An upgrade of the Tokamak à Chauffage Alfvén Brésilien (TCABR) is being designed to make it capable of creating a well controlled environment where the impact of resonant magnetic perturbation (RMP) fields on edge localised modes can be addressed over a wide range of (i) plasma shapes, (ii) divertor configurations, (iii) RMP coil geometries and (iv) perturbed magnetic field spectra. To this end, a unique set of in-vessel RMP coils is being designed and, in this work, their conceptual design is presented. This unique set of coils is composed of three toroidal arrays of coils on the low field side and three toroidal arrays of coils on the high field side. Each of these six toroidal arrays is composed of 18 coils thus allowing for the creation of RMP fields with toroidal mode numbers n ≤ 9 and with increased control of the poloidal mode number spectrum. To study dynamical effects of RMP fields of different toroidal mode numbers, all rotating simultaneously with different velocities, each of the 108 RMP coils will be powered independently by power supplies that can provide voltages of up to 4 kV and electric currents of up to 2 kA, with frequencies varying continuously from 0Hz up to 10kHz. A set of physical criteria were used to determine the optimal coil geometry and their respective number of turns to reduce the coil currents and voltages during operation with alternate current. Further, the conceptual design was carried out using both the vacuum approach (no plasma response) and the single-fluid response approach, which accounts for the response of a linear, single-fluid, visco-resistive plasma calculated using the M3D-C 1 code.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Harnessing structural stochasticity in the computational discovery and design of microstructures
This paper presents a deep generative model-based design methodology for tailoring the structural stochasticity of microstructures. Although numerous methods have been established for designing deterministic (periodic) or stochastic microstructures, a systematic design approach that allows the unified treatment of both deterministic and stochastic microstructure design domains has yet to be created. The proposed methodology resolves this issue by learning a unified feature space that embodies diverse structural patterns with continuously varying stochasticity levels. A highly diverse microstructure database is established to incorporate various types of deterministic and stochastic microstructure patterns. A property-aware deep generative model is proposed to learn a unified feature space of the structural characteristics, as well as the relationship between structure features and properties of interest. Autoencoder (AE), Variational Autoencoder (VAE), and Adversarial Autoencoder (AAE) are compared to understand their relative merits in the property-aware learning of the unified feature space. Microstructural designs with tailorable stochasticity and properties are obtained by searching the unified feature space. Multiple design cases are presented to demonstrate the capability of designing microstructures for structural stochasticity and properties. Furthermore, the proposed method is employed to create stochastically graded structures, which manipulate the mechanical behaviors by varying the local stochasticity of the structure.
36 MATERIALS SCIENCE↗
A Feasibility Study on Use of an Accelerometer to Measure the Dynamic Forces in Turning
Metal cutting is a highly dynamic process that generates continuously varying forces. Measurement of these forces is essential to characterizing a cutting process and to fully utilize the machine tool. A force dynamometer is often used to measure these varying forces; however, it is limited by the natural frequency of the sensor and can sometimes be hard to set up on a machine. Therefore, this study aims to estimate the dynamic component of the cutting force using an accelerometer placed directly below the cutting edge. The placement of the sensor helps achieving better signal to noise ratio (S/N). The cutting tool is modelled as a single degree of freedom (SDOF) system relative to the workpiece and dynamic loads are experimentally simulated on it. The measured acceleration is numerically integrated to obtain velocity and deflection, which along with the natural frequency (ω n ) and damping ratio (ζ), is used to predict the dynamic load using the system equation. The dynamic forces tested over a wide range of frequencies, show good agreement with the data from simultaneous dynamometer measurement and the force estimated using the proposed method. The study shows the feasibility of this method in a real cutting scenario and the capability to apply it to a multi DOF system. One major limitation is the inability to capture the static or quasi-static component of the cutting force.
Cutting vibrations↗
Leveraging Sequential Doping of Semiconducting Polymers to Enable Functionally Graded Materials for Organic Thermoelectrics
With the ability to modulate electronic properties through molecular doping coupled with ease in processability, semiconducting polymers are at the forefront in enabling organic thermoelectric devices for thermal energy management. In contrast to uniform thermoelectric material properties, an alternative route focuses on functionally graded materials (FGMs) where one spatially controls and optimizes transport properties across the length of a thermoelectric material. While primarily studied in the context of inorganic materials, the concept of FGMs for organic thermoelectrics has not been explored. Herein, we introduce how molecular doping of semiconducting polymers enables spatial compositional control of thin-film FGMs. Specifically, we utilize sequential vapor doping of poly[2,5-bis(3-tetradecylthiophen-2-yl) thieno [3,2-b]thiophene] (PBTTT) with the small molecule acceptor 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ) to fabricate the simplest form of FGMs – double- segmented thin films. The two thin-film segments are of equal length (7.5 mm), but each set to different doping levels. Our study focuses on understanding the thermoelectric properties (Seebeck coefficient, α, and electronic conductivity, σ) and structural properties (through X-ray scattering, UV-vis-NIR spectroscopy, and Raman spectroscopy) within and across the two segments. We observe the presence of a small diffuse interfacial region of 0.5 – 1 mm between the two segments where the doping level and transport properties vary continuously. Despite the diffuse interface, the measured effective Seebeck coefficient (αeff) across the two segments is simply the average of α within each segment. Importantly, this experimental result is consistent with reported mathematical models describing αeff in graded thermoelectric materials. Finally, our results demonstrate the facile fabrication and characterization of functionally graded organic thermoelectric materials, providing guidelines for further development on more complex FGMs.
36 MATERIALS SCIENCE↗
Magnetization-driven Lifshitz transition and charge-spin coupling in the kagome metal YMn6Sn6
Abstract The Fermi surface (FS) is essential for understanding the properties of metals. It can change under both conventional symmetry-breaking phase transitions and Lifshitz transitions (LTs), where the FS, but not the crystal symmetry, changes abruptly. Magnetic phase transitions involving uniformly rotating spin textures are conventional in nature, requiring strong spin-orbit coupling (SOC) to influence the FS topology and generate measurable properties. LTs driven by a continuously varying magnetization are rarely discussed. Here we present two such manifestations in the magnetotransport of the kagome magnet YMn 6 Sn 6 : one caused by changes in the magnetic structure and another by a magnetization-driven LT. The former yields a 10% magnetoresistance enhancement without a strong SOC, while the latter a 45% reduction in the resistivity. These phenomena offer a unique view into the interplay of magnetism and electronic topology, and for understanding the rare-earth counterparts, such as TbMn 6 Sn 6 , recently shown to harbor correlated topological physics.
36 MATERIALS SCIENCE↗
First-order antiferromagnetic transitions of SrMn 2 P 2 and CaMn 2 P 2 single crystals containing corrugated-honeycomb Mn sublattices
Significance With rare exceptions, an antiferromagnetic (AFM) transition in zero magnetic field is thermodynamically of second order where the thermal-average magnetic moments of the magnetic atoms (ordered moments) vary continuously on cooling through the AFM ordering temperature T N with no latent heat at the transition. Such materials include the AFM pnictides CaMn 2 As 2 , SrMn 2 As 2 , CaMn 2 Sb 2 , SrMn 2 Sb 2 , and CaMn 2 Bi 2 . Here we demonstrate that the closely related SrMn 2 P 2 and CaMn 2 P 2 insulators instead exhibit first-order AFM transitions at T N = 53 and 70 K, respectively, where the heat capacity exhibits a latent heat at T N . The mechanism causing these first-order transitions remains to be explained, but its understanding may lead to the development of novel magnetic materials of technological interest.
36 MATERIALS SCIENCE↗
Optimizing spin dressing sensitivity for the nEDMSF experiment
nEDMSF aims to measure the neutron electric dipole moment (d n ) with unprecedented precision. In this paper we explore the experiment's sensitivity when operating with an implementation of the critical dressing method in which the angle between the neutron and Helium-3 spins (ϕ 3n ) is subjected to a square modulation by an amount ϕ d (the “dressing angle”). Several parameters can be tuned to optimize sensitivity. We find roughly 10% improvement over a previous estimate, resulting primarily from the addition of a waiting period between the π/2 pulse that initiates d n -driven ϕ 3n growth and the start of ϕ3n modulation. We find negligible further improvement by allowing ϕ d to vary continuously over the course of a run, and no degradation resulting from the addition of an in situ background measurement into each ϕ3n modulation sequence. A complete simulation confirms a 300 live-day sensitivity ofσ = 1.45×10 -28 e ·cm. At this level of sensitivity, σ ϕ3n0 = 1 mrad precision on the initial n/ 3 He angle difference is not negligible.
47 OTHER INSTRUMENTATION↗
Models of bars − II. Exponential profiles
ABSTRACT We present a new model for galactic bars with exponentially falling major axis luminosity profiles and Gaussian cross-sections. This is based on the linear superposition of Gaussian potential–density pairs with an exponential weight function, using an extension of the method originally introduced by Long & Murali. We compute the density, potential, and forces, using Gaussian quadrature. These quantities are given as explicit functions of position. There are three independent scaled bar parameters that can be varied continuously to produce bespoke bars of a given mass and shape. We categorize the effective potential by splitting a reduced parameter space into six regions. Unusually, we find bars with three stable Lagrange points on the major axis are possible. Our model reveals a variety of unexpected orbital structure, including a bifurcating x1 orbit coexisting with a stable x4 orbit. Propeller orbits are found to play a dominant role in the orbital structure, and we find striking similarities between our bar configuration and the model of Kaufmann & Contopoulos. We find a candidate orbital family, sired from the propeller orbits, that may be responsible for the observed high-velocity peaks in the Milky Way’s bar. As a cross-check, we inspect, for the first time, the proper motions of stars in the high-velocity peaks, which also match our suggested orbital family well. This work adds to the increasing body of evidence that real galactic bars may be supported at least partly by propeller orbits rather than solely by elliptical-like orbits of the x1 family.
McGough, D. P.↗
Coordinated time variability of multi-phase ultra-fast outflows in J132216.25 + 052446.3
ABSTRACT We present a time variability analysis of broad absorption lines (BAL; spread over the velocity range of 5800–29 000 km s−1) seen in the spectrum of J132216.25 + 052446.3 (zem = 2.04806) at ten different epochs spanning over 19 yr. The strongest absorption component (BAL-A; spread over 5800–9900 km s−1) is made up of several narrow components having velocity separations close to C iv doublet splitting. The C iv, N v, and Si iv absorption from BAL-A show correlated optical depth variability without major changes in the velocity structure. A very broad and shallow absorption (BAL-C; spread over the velocity range 15 000–29 000 km s−1) emerged during our monitoring period coinciding with a dimming episode of J1322 + 0524. All the identified absorption lines show correlated variability with the equivalent widths increasing with decreasing flux. This together with the C iv emission line variability is consistent with ionization being the main driver of the correlated variability. The observed UV-continuum variations are weaker than what is required by the photoionization models. This together with a scatter in the C iv equivalent width at a given continuum flux can be understood if variations of the C iv ionizing photons are much larger than that of the UV continuum, the variations in the ionizing photon and UV fluxes are not correlated and/or the covering factor of the flow varies continuously. We suggest BAL-A is produced by a stable clumpy outflow located beyond the broad emission line region and BAL-C is a newly formed wind component located near the accretion disc and both respond to changes in the ionizing continuum.
79 ASTRONOMY AND ASTROPHYSICS↗
Framework for phase transitions between the Maxwell and Gibbs constructions at finite temperature
The characteristics of the hadron-to-quark first-order phase transition differ depending on whether charge neutrality is locally or globally fulfilled. In 𝛽-equilibrated matter, these two possibilities correspond to the Maxwell and Gibbs constructions. Recently, we presented a new framework in which a continuously varying parameter allows one to describe a first-order phase transition in intermediate scenarios to the two extremes of fully local and fully global charge neutrality. In this work, we extend the previous framework to finite temperatures and out-of-𝛽 equilibrium conditions, making it available for simulations of core-collapse supernovae and binary neutron star mergers. We investigate its impact on key thermodynamic quantities across a range of baryon densities, temperatures, and electron fractions. We find that when matter is not in 𝛽 equilibrium, the pressure in the mixed phase is not constant even for the case of fully local charge neutrality. Moreover, we compute the thermal index using three different approaches, demonstrating that the finite-temperature extension of an equation of state using a constant thermal index can be ill defined when applied to the mixed phase.
QCD phase transitions↗
One-dimensional neutron diffraction from layered graphite: Reciprocal space structure and grating behavior
In this work we report observations of one-dimensional neutron diffraction from highly oriented pyrolytic graphite (HOPG), where the scattering angle varies continuously with incident angle following classical grating-like behavior. The 2D polycrystalline structure of HOPG—with highly aligned layers along the 𝑐 axis but random in-plane rotations—creates planes of scattering intensity in reciprocal space at 𝑄 𝑐 =𝑛(2𝜋/𝑑) where 𝑑=3.35Å is the interlayer spacing. As the Ewald sphere sweeps through reciprocal space during sample rotation, it continuously intersects these planes, producing the observed angular dispersion. We observe both first-order (𝑛=1) and second-order (𝑛=2) diffraction at conventional scattering angles (25°–70°), with peak positions that remain temperature-independent between 10 K and 294 K and follow quantitative agreement with momentum conservation 𝑄 𝑐 =𝑘[sin𝜓−sin𝜓 𝑓 ]=𝑛(2𝜋/𝑑). X-ray diffraction under similar conditions shows no comparable behavior, confirming that sharp nuclear-vacuum contrast is essential. While diffraction intensities are weak (∼10 −6 of Bragg peaks), the observations demonstrate how the interplay of atomic-scale periodicity, nuclear contrast, and structural disorder enables observation of continuous diffraction curves at thermal neutron wavelengths, illustrating how HOPG's unique microstructure determines its scattering properties beyond conventional Bragg diffraction.
2-dimensional systems↗