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At least 1,783 records · Page 99

Kinetics of solid–liquid interface motion in molecular dynamics and phase-field models: crystallization of chromium and silicon

The results of molecular dynamics (MD) simulations of the crystallization process in one-component materials and solid solution alloys reveal a complex temperature dependence of the velocity of the crystal–liquid interface featuring an increase up to a maximum at 10–30% undercooling below the equilibrium melting temperature followed by a gradual decrease of the velocity at deeper levels of undercooling. At the qualitative level, such non-monotonous behaviour of the crystallization front velocity is consistent with the diffusion-controlled crystallization process described by the Wilson–Frenkel model, where the almost linear increase of the interface velocity in the vicinity of melting temperature is defined by the growth of the thermodynamic driving force for the phase transformation, while the decrease in atomic mobility with further increase of the undercooling drives the velocity through the maximum and into a gradual decrease at lower temperatures. At the quantitative level, however, the diffusional model fails to describe the results of MD simulations in the whole range of temperatures with a single set of parameters for some of the model materials. The limited ability of the existing theoretical models to adequately describe the MD results is illustrated in the present work for two materials, chromium and silicon. It is also demonstrated that the MD results can be well described by the solution following from the hodograph equation, previously found from the kinetic phase-field model (kinetic PFM) in the sharp interface limit. The ability of the hodograph equation to describe the predictions of MD simulation in the whole range of temperatures is related to the introduction of slow (phase field) and fast (gradient flow) variables into the original kinetic PFM from which the hodograph equation is obtained. The slow phase-field variable is responsible for the description of data at small undercoolings and the fast gradient flow variable accounts for local non-equilibrium effects at high undercoolings. The introduction of these two types of variables makes the solution of the hodograph equation sufficiently flexible for a reliable description of all nonlinearities of the kinetic curves predicted in MD simulations of Cr and Si. This article is part of the theme issue ‘Transport phenomena in complex systems (part 1)’.

Science & Technology - Other Topics↗

Hydrodynamics of a multicomponent vesicle under strong confinement

Herein we numerically investigate the hydrodynamics and membrane dynamics of a multicomponent vesicle in two strongly confined geometries. This serves as a simplified model for red blood cells undergoing large deformations while traversing narrow constrictions. We propose a new parameterization for the bending modulus that remains positive for all lipid phase parameter values. For a multicomponent vesicle passing through a stenosis, we establish connections between various properties: lipid phase coarsening, size and flow profile of the lubrication layers, excess pressure, and the tank-treading velocity of the membrane. For a multicomponent vesicle passing through a contracting channel, we find that the lipid always phase separates so that the vesicle is stiffer in the front as it passes through the constriction. For both cases of confinement we find that lipid coarsening is arrested under strong confinement, and resumes at a high rate upon relief from extreme confinement. The results may be useful for efficient sorting lipid domains using microfluidic flows by controlled release of vesicles passing through strong confinement.

97 MATHEMATICS AND COMPUTING↗

Di-Higgs production in the 4b channel and gravitational wave complementarity

We present a complementarity study of gravitational waves and double Higgs production in the 4 b channel, exploring the gauge singlet scalar extension of the SM. This new physics extension serves as a simplified benchmark model that realizes a strongly first-order electroweak phase transition necessary to generate the observed baryon asymmetry in the universe. In calculating the signal-to-noise ratio of the gravitational waves, we incorporate the effect of the recently discovered significant suppression of the gravitational wave signals from sound waves for strong phase transitions, make sure that supercooled phase transitions do complete and adopt a bubble wall velocity that is consistent with a successful electroweak baryogenesis by solving the velocity profiles of the plasma. The high-luminosity LHC sensitivity to the singlet scalar extension of the SM is estimated using a shape-based analysis of the invariant 4 b mass distribution. We find that while the region of parameter space giving detectable gravitational waves is shrunk due to the new gravitational wave simulations, the qualitative complementary role of gravitational waves and collider searches remain unchanged.

79 ASTRONOMY AND ASTROPHYSICS↗

Growth of organized flow coherent motions within a single-stream shear layer: 4D-PTV measurements

Abstract This study investigates the evolution of a single-stream shear layer (SSSL) originating from a wall boundary layer past a backward-facing step. Utilizing a time-resolved 3D-Particle Tracking Velocimetry (4D-PTV) technique, we track the trajectories of fluorescent particles to gain insight into the flow characteristics of the SSSL. A compact water tunnel facility ( $$\textrm{Re}_\tau =1\,240$$ Re τ = 1 240 ) is fabricated to obtain an SSSL with a perpendicular slow entrainment stream past the separation edge. A hybrid interpolation approach that combines ensemble binning and Gaussian weighting is implemented to derive minimally filtered mean and instantaneous lower- and higher-order flow field parameters. Spanwise-dominant coherent motion accompanied by finer flow scales is observed to grow due to flow entrainment through “nibbling” actions of small-scale vortices, “engulfing” by large-scale vortices, and vortex pairing events. Furthermore, the non-zero-speed stream edge grows relatively faster than the zero-speed stream edge, showing a strong asymmetry in mixing composition across a mixing layer. The SSSL reaches self-similarity at a streamwise distance of $$\approx 55\,\theta _{0}$$ ≈ 55 θ 0 , where $$\theta _0$$ θ 0 is the initial momentum thickness from the separation edge, i.e., considerably shorter than reported in previous studies. A literature comparison of growth rate parameters raises intriguing questions regarding a potential inclusive growth scaling unifying the free shear layers. A turbulent kinetic energy (TKE) budget analysis reveals a negative production region immediately downstream of the separation edge attributed to a large positive streamwise gradient of streamwise velocity. In the self-similar region, the phase-averaged flow mapping demonstrates a larger concentration of turbulence production rate around the outer edges of spanwise vortices, specifically at the intersection of braids and vortices. Furthermore, a spatial separation exists in the regions of peak production and dissipation rates within the vortex core region favoring dissipation. The braids exhibit a larger concentration of turbulence diffusion rates, indicating their function as a conduit for exchanging turbulence between neighboring coherent motions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Determination of the Flow Rate of Coolant in Pipelines with Unstabilized Flow of Fluid in the Area Following a Bend

Questions related to the determination of the flow rate of coolant in the pipelines of electric plants are considered. Amethod of determining the flow of single-phase coolant for the case of an asymmetric unstabilized velocity profile that is present following a bend in a pipeline is proposed. Results from the use of the proposed method in novel experiments on the testing unit of the Élektrogorsk Scientific Research Center and in the steam pipelines of power unit No. 3 of the Balakovo nuclear power plant are presented.

42 ENGINEERING↗

Visualizing pectin polymer-polymer entanglement produced by interfacial water movement

In this report, we investigated the physical conditions for creating pectin polymer-polymer (homopolymer) entanglement. The potential role of water movement in creating pectin entanglement was investigated by placing water droplets-equivalent to the water content of two gel phase films-between two glass phase films and compressing the films at variable probe velocities. Slow probe velocity (0.5 mm/sec) demonstrated no significant debonding. Furthermore, corresponding videomicroscopy demonstrated an occasional water bridge, but no evidence of stranding or polymer entanglement. In contrast, fast probe velocity (5 mm/sec) resulted in 1) an increase in peak adhesion strength, 2) a progressive debonding curve, and 3) increased work of cohesion (p < .001). Corresponding videomicroscopy demonstrated pectin stranding and delamination between pectin films. Scanning electron microscopy images obtained during pectin debonding provided additional evidence of both stranding and delamination. We conclude that water movement can supply the motive force for the rapid chain entanglement between pectin films.

59 BASIC BIOLOGICAL SCIENCES↗

Impact damage of narrow silicon carbide (SiC) ceramics with and without environmental barrier coatings (EBCs) by various foreign object debris (FOD) simulants

The leading and trailing edges of turbine airfoils are highly susceptible to impact by foreign object debris (FOD) entrained in the gas stream of turbine engines. In this study, a narrow specimen geometry is implemented to study the FOD impact behavior of low curvature airfoil edges. Silicon carbide (SiC) ceramic specimens with and without an environmental barrier coating (EBC) are used as target materials. The EBC consists of an air plasma sprayed mullite topcoat (~ 166 µm) and silicon bond coat (~ 58 µm). Spherical (∅ 1.5 mm) FOD simulants of silicon nitride (Si3N4), partially stabilized zirconia (PSZ), and steel are used as impactors. Additionally, a modified gas gun is used to generate impact damage at normal incidence and velocities ranging between 300 to 400 m/s. In situ phase contrast X-ray radiographs, which render 2D representations of the internal transient damage, are captured during the impact experiments. Impactor hardness and toughness are found to primarily influence damage in the coating. Relative to wide specimens, the narrow specimens experience a greater level of cracking and this is postulated to result from reduced self-confinement. Irrespective of specimen geometry and impactor material type, limited cracking (i.e. enhanced shielding) is observed for the coated condition.

36 MATERIALS SCIENCE↗

GX: a GPU-native gyrokinetic turbulence code for tokamak and stellarator design

GX is a code designed to solve the nonlinear gyrokinetic system for low-frequency turbulence in magnetized plasmas, particularly tokamaks and stellarators. In GX, our primary motivation and target is a fast gyrokinetic solver that can be used for fusion reactor design and optimization along with wide-ranging physics exploration. Here, this has led to several code and algorithm design decisions, specifically chosen to prioritize time to solution. First, we have used a discretization algorithm that is pseudospectral in the entire phase space, including a Laguerre–Hermite pseudospectral formulation of velocity space, which allows for smooth interpolation between coarse gyrofluid-like resolutions and finer conventional gyrokinetic resolutions and efficient evaluation of a model collision operator. Additionally, we have built GX to natively target graphics processors (GPUs), which are among the fastest computational platforms available today. Finally, we have taken advantage of the reactor-relevant limit of small $\rho _*$ by using the radially local flux-tube approach. In this paper we present details about the gyrokinetic system and the numerical algorithms used in GX to solve the system. We then present several numerical benchmarks against established gyrokinetic codes in both tokamak and stellarator magnetic geometries to verify that GX correctly simulates gyrokinetic turbulence in the small $\rho _*$. Moreover, we show that the convergence properties of the Laguerre–Hermite spectral velocity formulation are quite favourable for nonlinear problems of interest. Coupled with GPU acceleration, which we also investigate with scaling studies, this enables GX to be able to produce useful turbulence simulations in minutes on one (or a few) GPUs and higher fidelity results in a few hours using several GPUs. GX is open-source software that is ready for fusion reactor design studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Saturn's Weather‐Driven Aurorae Modulate Oscillations in the Magnetic Field and Radio Emissions

Abstract The Cassini spacecraft revealed that Saturn's magnetic field displayed oscillations at a period originally thought to match the planetary rotation rate but later found not to. One of many proposed theories predicts that a polar twin‐cell neutral weather system drives this variation, producing observable differences in flows within Saturn's ionosphere. Here, using spectral observations of auroral emission lines taken by the Keck Observatory's Near Infrared Echelle Spectrograph (Keck‐NIRSPEC) in 2017, we derive ion line‐of‐sight velocity maps after grouping spectra into rotational quadrants matching phases of the planetary magnetic field. We measure 0.5 km s −1 wind systems in the ionosphere consistent with predicted neutral twin‐vortex flow patterns. These findings demonstrate that neutral winds in Saturn's polar regions cause the rotational period, as determined via the magnetic field, to exhibit differences and time variabilities relative to the planet's true period of rotation in a process never before seen within planetary atmospheres.

Chowdhury, M. N.↗

Closed‐loop hierarchical control strategies for connected and autonomous hybrid electric vehicles with random errors

This study presents a closed‐loop hierarchical control strategy for a group of connected and autonomous hybrid electric vehicles (HEVs) with the purpose of optimising fuel economy while guaranteeing traffic mobility and vehicle safety. In the hierarchical control architecture, a decentralised stochastic model predictive control (SMPC)‐based higher level controller incorporating signal phase and timing information is formulated to optimise the velocity profile of each vehicle, and an adaptive equivalent consumption minimisation strategy based lower level controller is employed for the energy management control of the HEVs. Creatively, random errors of the control variable are considered in the SMPC framework. The errors are discretised and modelled as a Markov process and the state transition matrix of the errors is generated randomly to capture the error transition dynamics. To solve the SMPC problem more efficiently, a scenario‐based SMPC is employed. Moreover, the propulsion and recuperation efficiencies of the lower level controller are calculated at each time step with measurable variables, and fed back to the higher level controller for velocity optimisation in next time step. Simulation results validate the control effectiveness and advantages of the proposed control architecture.

Qiu, Shaolin↗

Continuum shock mixture models for Ni+Al multilayers: Individual layers and bulk equations of state

Continuum shock mixture models are reviewed and applied to determine the equations of state for five different compositions of Ni x Al y ⁠, as well as bulk Ni+Al reactive multilayers, by combining the fundamental property data for elemental nickel and aluminum. From the literature, we down-select and evaluate two analytical models for the mixture Hugoniot, i.e., the well-known method of kinetic energy averaging (KEA) and a recent model proposed by Jordan and Baer [J. Appl. Phys. 111, 083516 (2012)]. Fundamentally, the former method assumes pressure equilibrium, whereas the latter assumes a common particle velocity and mixture sound speed from compressible two-phase cavitating flows. Additionally, we construct thermodynamically complete equations of state by fitting Einstein oscillator series models for the specific heat at constant volume. Finally, the solid solution approximation is invoked for intermetallic compositions, which are not strictly physical mixtures. Overall, the KEA model provides a better fit to the available Ni x Al y and Ni+Al multilayer shock compression data; however, there are combinations of material properties where the performance of these two models is thought to be reversed. Moreover, the results of this work include the first analytical solution of Jordan–Baer that does not require numerical root finding, as well as proposed modifications to the Einstein oscillator series to incorporate some effects of local pressure–temperature equilibrium and reaction–diffusion. Future work is planned that will use these equations of state in mesoscale simulations to study shock-induced reaction in Ni+Al multilayers, and the intended application is illustrated with a brief 2D hydrocode example.

36 MATERIALS SCIENCE↗

Initiation and early evolution of the coronal mass ejection on 2009 May 13 from extreme-ultraviolet and white-light observations

We present the results of the observations of a coronal mass ejection (CME) that occurred on 2009 May 13. The most important feature of these observations is that the CME was observed from the very early stage (the solar surface) up to a distance of 15 solar radii (R {sub ☉}). Below 2 R {sub ☉}, we used the data from the TESIS extreme-ultraviolet telescopes obtained in the Fe 171 Å and He 304 Å lines, and above 2 R {sub ☉}, we used the observations of the LASCO C2 and C3 coronagraphs. The CME was formed at a distance of 0.2-0.5R {sub ☉} from the Sun's surface as a U-shaped structure, which was observed both in the 171 Å images and in the white light. Observations in the He 304 Å line showed that the CME was associated with an erupting prominence, which was not located above—as the standard model predicts—but rather in the lowest part of the U-shaped structure close to the magnetic X point. The prominence location can be explained with the CME breakout model. Estimates showed that CME mass increased with time. The CME trajectory was curved—its heliolatitude decreased with time. The CME started at a latitude of 50° and reached the ecliptic plane at distances of 2.5 R {sub ☉}. The CME kinematics can be divided into three phases: initial acceleration, main acceleration, and propagation with constant velocity. After the CME, onset GOES registered a sub-A-class flare.

79 ASTRONOMY AND ASTROPHYSICS↗

Tetragonal bismuth bilayer: A stable and robust quantum spin hall insulator

In this study, topological insulators (TIs) exhibit novel physics with great promise for new devices, but considerable challenges remain to identify TIs with high structural stability and large nontrivial band gap suitable for practical applications. Here we predict by first-principles calculations a two-dimensional (2D) TI, also known as a quantum spin Hall (QSH) insulator, in a tetragonal bismuth bilayer (TB-Bi) structure that is dynamically and thermally stable based on phonon calculations and finite-temperature molecular dynamics simulations. Density functional theory and tight-binding calculations reveal a band inversion among the Bi-p orbits driven by the strong intrinsic spin–orbit coupling, producing a large nontrivial band gap, which can be effectively tuned by moderate strains. The helical gapless edge states exhibit a linear dispersion with a high Fermi velocity comparable to that of graphene, and the QSH phase remains robust on a NaCl substrate. These remarkable properties place TB-Bi among the most promising 2D TIs for high-speed spintronic devices, and the present results provide insights into the intriguing QSH phenomenon in this new Bi structure and offer guidance for its implementation in potential applications.

36 MATERIALS SCIENCE↗

Manipulation of individual superconducting vortices and stick-slip motion in periodic pinning arrays

We numerically examine the manipulation of superconducting vortices interacting with a moving trap representing a magnetic force tip translating across a superconducting sample containing a periodic array of pinning sites. As a function of the tip velocity and coupling strength, we find five distinct dynamic phases, including a decoupled regime where the vortices are dragged a short distance within a pinning site, an intermediate coupling regime where vortices in neighboring pinning sites exchange places, an intermediate trapping regime where individual vortices are dragged longer distances and exchange modes of vortices occur in the surrounding pins, an intermittent multiple trapping regime where the trap switches between capturing one or two vortices, and a strong coupling regime in which the trap permanently captures and drags two vortices. In some regimes we observe the counterintuitive behavior that slow moving traps couple less strongly to vortices than faster moving traps; however, the fastest moving traps are generally decoupled. The different phases can be characterized by the distances the vortices are displaced and the force fluctuations exerted on the trap. We find different types of stick-slip motion depending on whether vortices are moving into and out of pinning sites, undergoing exchange, or performing correlated motion induced by vortices outside of the trap. Finally, our results are general to the manipulation of other types of particle-based systems interacting with periodic trap arrays, such as colloidal particles or certain types of frictional systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Thermodynamic and Kinetic Properties of Shocks in Two-Dimensional Yukawa Systems [Thermodynamic and Kinetic Properties of Shocks in 2D Yukawa Systems]

Particle-level simulations of shocked plasmas are carried out to examine kinetic properties not captured by hydrodynamic models. In particular, molecular dynamics simulations of 2D Yukawa plasmas with variable couplings and screening lengths are used to examine shock features unique to plasmas, including the presence of dispersive shock structures for weak shocks. A phase-space analysis reveals several kinetic properties, including anisotropic velocity distributions, non-Maxwellian tails, and the presence of fast particles ahead of the shock, even for moderately low Mach numbers. As a result, we also examine the thermodynamics (Rankine-Hugoniot relations) of recent experiments and find no anomalies in their equations of state.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Development of Hydrogen Burner for FT4000® Aeroderivative Engine - Final Report

This report details an effort to develop a retrofittable fuel/air injector for the FT4000® aeroderivative gas turbine that enables use of hydrogen as a carbon-free fuel for efficient power generation. The FT4000 engine’s low-NOx combustor was developed by Pratt & Whitney and RTX Technology Research Center with core technology from the Pratt & Whitney PW4000 turbofan aircraft engine. The current FT4000 production engine operates on either natural gas or No. 2 fuel oil with water injection to achieve high thermal efficiency and low emissions. This engine is fielded by Mitsubishi Power Aero and delivers 70 MW of power with a simple-cycle efficiency of over 41% when operating with wet compression. The work reported here advances the technology readiness level of the FT4000 combustor for operation with hydrogen, starting with an experimental assessment of the current production hardware with increasing hydrogen content mixed with natural gas and ending with improved nozzle concepts for fully robust operation with 100% hydrogen. High-pressure single-sector combustor rig tests have been completed, demonstrating the ability for the dual fuel nozzle to operate an FT4000 combustor on 100% hydrogen with low nitrogen oxide (NOx) emissions. Metal temperature measurements and video images of the flame structure from zero to 100% hydrogen highlight opportunities to improve the fuel nozzle robustness for high hydrogen conditions. The design of new fuel/air mixer concepts to improve durability and operability with high hydrogen levels was also completed. A total of eleven new concepts were developed and analyzed, ranging from modifications to the bill-of-materials nozzle to fully clean sheet designs. The concepts were evaluated with non-reacting and reacting flow evaluations to assess the performance of the new hardware designs. Non-reacting tests included Phase Doppler Particle Analysis (PDPA) for droplet size and velocity, mechanical patternation for liquid water flux, and planar laser induced fluorescence (PLIF) with acetone-seeding for gaseous fuel/air mixing characterization. Five scaled candidate fuel nozzle designs, in addition to a scaled bill-of-materials nozzle, were then successfully evaluated in an atmospheric pressure burner rig. The nozzles were evaluated for performance with natural gas, hydrogen/natural gas blends, and pure hydrogen. For 100% hydrogen, the nozzles were evaluated with and without water injection. Optical and infrared imaging of the flame and fuel nozzle was captured. NOx emissions were sampled from fixed emissions probes. The results show measurable differences between the various designs, and the data was used to down-select the two most promising designs to advance to future full pressure rig testing. Results from this study have cleared the current production FT4000 engines with dual fuel nozzles to operate at baseload power on blends of hydrogen mixed with natural gas and water. Two promising nozzle designs have been developed to enable fully robust operation with up to 100% hydrogen. These nozzles require validation at full baseload operating conditions before they can be introduced to the field.

03 NATURAL GAS↗

A Keck adaptive optics survey of a representative sample of gravitationally lensed star-forming galaxies: High spatial resolution studies of kinematics and metallicity gradients

We discuss spatially resolved emission line spectroscopy secured for a total sample of 15 gravitationally lensed star-forming galaxies at a mean redshift of z≃2 based on Keck laser-assisted adaptive optics observations undertaken with the recently improved OSIRIS integral field unit (IFU) spectrograph. By exploiting gravitationally lensed sources drawn primarily from the CASSOWARY survey, we sample these sub-L{sup ∗} galaxies with source-plane resolutions of a few hundred parsecs ensuring well-sampled 2D velocity data and resolved variations in the gas-phase metallicity. Such high spatial resolution data offer a critical check on the structural properties of larger samples derived with coarser sampling using multiple-IFU instruments. We demonstrate how kinematic complexities essential to understanding the maturity of an early star-forming galaxy can often only be revealed with better sampled data. Although we include four sources from our earlier work, the present study provides a more representative sample unbiased with respect to emission line strength. Contrary to earlier suggestions, our data indicate a more diverse range of kinematic and metal gradient behavior inconsistent with a simple picture of well-ordered rotation developing concurrently with established steep metal gradients in all but merging systems. Comparing our observations with the predictions of hydrodynamical simulations suggests that gas and metals have been mixed by outflows or other strong feedback processes, flattening the metal gradients in early star-forming galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Neutron Star Kicks by the Gravitational Tug-boat Mechanism in Asymmetric Supernova Explosions: Progenitor and Explosion Dependence

Asymmetric mass ejection in the early phase of supernova (SN) explosions can impart a kick velocity to the new-born neutron star (NS). For neutrino-driven explosions the NS acceleration has been shown to be mainly caused by the gravitational attraction of the anisotropically expelled inner ejecta, while hydrodynamic forces contribute on a subdominant level, and asymmetric neutrino emission plays only a secondary role. Two- and three-dimensional hydrodynamic simulations have demonstrated that this gravitational tug-boat mechanism can explain the observed space velocities of young NSs up to more than 1000 km s{sup −1}. Here, we discuss how the NS kick depends on the energy, ejecta mass, and asymmetry of the SN explosion, and what role the compactness of the pre-collapse stellar core plays for the momentum transfer to the NS. We also provide simple analytic expressions for the NS velocity in terms of these quantities. Referring to results of hydrodynamic simulations in the literature, we argue why, within the discussed scenario of NS acceleration, electron-capture SNe, low-mass Fe-core SNe, and ultra-stripped SNe can be expected to have considerably lower intrinsic NS kicks than core-collapse SNe of massive stellar cores. Our basic arguments also remain valid if progenitor stars possess large-scale asymmetries in their convective silicon and oxygen burning layers. Possible scenarios for spin-kick alignment are sketched. Much of our discussion stays on a conceptual and qualitative level, and more work is necessary on the numerical modeling side to determine the dependences of involved parameters, whose prescriptions will be needed for recipes that can be used to better describe NS kicks in binary evolution and population synthesis studies.

79 ASTRONOMY AND ASTROPHYSICS↗