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A model for the crystal structure of carbadox has been generated and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Carbadox crystallizes in space group P21 (#4) with a = 13.8155(3), b = 21.4662(1), c = 16.3297(3) Å, β = 110.0931(7)°, V = 4548.10(3) Å3, and Z = 16. The crystal structure is characterized by approximately parallel stacking of the eight independent carbadox molecules parallel to the bc-plane. There are two different molecular configurations of the eight carbadox molecules; five are in the lower-energy configuration and three are in a ~10% higher-energy configuration. This arrangement likely achieves the lowest-energy crystalline packing via hydrogen bonding. Hydrogen bonds link the molecules both within and between the planes. Each of the amino groups forms a N–H⋯O hydrogen bond to an oxygen atom of the 1,4-dioxidoquinoxaline ring system of another molecule. The result is four pairs of hydrogen-bonded molecules, which form rings with graph set R2,2(14). Variation in specimen preparation can affect the preferred orientation of particles considerably. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).
The hydrodynamic influence of surface texture on static surfaces ranges from large drag penalties (roughness) to potential performance benefits (shark-like skin). Although it is of wide-ranging research interest, the impact of roughness on flapping systems has received limited attention. In this work, we explore the effect of roughness on the unsteady performance of a harmonically pitching foil through experiments using foils with different surface roughness, at a fixed Strouhal number and within the Reynolds number ($Re$) range of $17\,000\unicode{x2013}33\,000$. The foils’ surface roughness is altered by changing the distribution of spherical-cap-shaped elements over the propulsor area. We find that the addition of surface roughness does not improve the performance compared with a smooth surface over the $Re$ range considered. The analysis of the flow fields shows near-identical wakes regardless of the foil's surface roughness. The performance reduction mainly occurs due to an increase in profile drag. However, we find that the drag penalty due to roughness is reduced from $76\,\%$ for a static foil to $16\,\%$ for a flapping foil at the same mean angle of attack, with the strongest decrease measured at the highest $Re$. Our findings highlight that the effect of roughness on dynamic systems is very different than that on static systems; thereby, it cannot be estimated by only using information obtained from static cases. This also indicates that the performance of unsteady, flapping systems is more robust to the changes in surface roughness.
This paper outlines an experimental demonstration of an envelope tracking (ET) technique applied to a kilowatt-level single-ended solid-state power amplifier (SSPA), aimed at enhancing the charging efficiency of superconducting radio frequency (SRF) cavities by reducing reflection power while maintaining a high degree of efficiency. The technique is particularly designed for the pulsed operation of the European Spallation Source (ESS) at a nominal frequency of 352 MHz, with a 5% duty cycle and a pulse width of 3.5 ms. The study introduces an optimal charging scheme using a solid-state-based amplifier to maintain high efficiency, allowing for power ramp-up while minimizing reflections from SRF cavities and optimizing SSPA efficiency. A fast envelope tracking power supply (ETPS) system is implemented for the approximately 300 ms charging time required by the SRF cavities at ESS. The ETPS system, demonstrated on a single module as a proof-of-concept with scalability potential to a 400 kW power station, indicates an overall average efficiency of 70% and a 24% energy saving over traditional vacuum-tube based amplifiers. This demonstrates the ET technique’s effectiveness at the kilowatt level for efficient SRF cavity charging with reduced reflection, offering significant efficiency and energy savings.
The numerical investigation focuses on the flow patterns around a rectangular cylinder with three aspect ratios ($L/D=5$, $10$, $15$) at a Reynolds number of $1000$. The study delves into the dynamics of vortices, their associated frequencies, the evolution of the boundary layer and the decay of the wake. Kelvin–Helmholtz (KH) vortices originate from the leading edge (LE) shear layer and transform into hairpin vortices. Specifically, at $L/D=5$, three KH vortices merge into a single LE vortex. However, at $L/D=10$ and $15$, two KH vortices combine to form a LE vortex, with the rapid formation of hairpin vortex packets. A fractional harmonic arises due to feedback from the split LE shear layer moving upstream, triggering interaction with the reverse flow. Trailing edge (TE) vortices shed, creating a Kármán-like street in the wake. The intensity of wake oscillation at $L/D=5$ surpasses that in the other two cases. Boundary layer transition occurs after the saturation of disturbance energy for $L/D=10$ and $15$, but not for $L/D=5$. The low-frequency disturbances are selected to generate streaks inside the boundary layer. The TE vortex shedding induces the formation of a favourable pressure gradient, accelerating the flow and fostering boundary layer relaminarization. The self-similarity of the velocity defect is observed in all three wakes, accompanied by the decay of disturbance energy. Importantly, the decrease in the shedding frequency of LE (TE) vortices significantly contributes to the overall decay of disturbance energy. This comprehensive exploration provides insights into complex flow phenomena and their underlying dynamics.
The crystal structure of indacaterol hydrogen maleate has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Indacaterol hydrogen maleate crystallizes in space group P-1 (#24) with a = 8.86616(9), b = 9.75866(21), c = 16.67848(36) Å, α = 102.6301(10), β = 94.1736(6), γ = 113.2644(2)°, V = 1273.095(7) Å3, and Z = 2 at 295 K. The crystal structure consists of layers of cations and anions parallel to the ab-plane. Traditional N–H⋯O and O–H⋯O hydrogen bonds link the cations and anions into chains along the a-axis. There is a strong intramolecular charge-assisted O–H⋯O hydrogen bond in the non-planar hydrogen maleate anion. There are also two C–H⋯O hydrogen bonds between the anion and cation. The cation makes a strong N–H⋯O hydrogen bond to the anion, but also acts as a hydrogen bond donor to an aromatic C in another cation. The amino group makes bifurcated N–H⋯O hydrogen bonds, one intramolecular and the other intermolecular. The hydroxyl group acts as a donor to another cation. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).
In two-fluid simulations of gas–solid fluidised beds, the gaseous phase and the particulate phase are modelled as continuous media. The stress exerted by the particulate medium on the container walls should be modelled to predict accurately the bed dynamics. This paper addresses the modelling of sliding particle–wall contacts in two-fluid simulations, based on reference simulations coupling computational fluid dynamics with the discrete element method (CFD-DEM), in which the individual movement of the particles is tracked. The analysis of the CFD-DEM highlights the complex near-wall behaviour of the particles, which is not reproduced by two-fluid models. Nevertheless, the particle–wall shear stress can be expressed based on the total granular pressure within the first cell off the wall. The model is validated for the two-fluid simulation of a bubbling gas–solid fluidised bed of olefin particles in the dense-fluidisation regime.
We present the results from a series of experiments investigating the dynamics of gravity currents which form when a dense saline or particle-laden plume issuing from a moving source interacts with a horizontal surface. We define the dimensionless parameter $P$ as the ratio of the source speed, $u_a$, to the buoyancy speed, $(B_0/z_0)^{1/3}$, where $B_0$ and $z_0$ are the source buoyancy flux and height above the horizontal surface, respectively. Using our experimental data, we determine that the limiting case in which $P=P_c$ the gravity current only spreads downstream of the initial impact point occurs when $P_c=0.83\pm 0.02$. For $P< P_c$, from our experiments we observe that the plume forms a gravity current that spreads out in all directions from the point of impact and the propagation of the gravity current is analogous to a classical constant-flux gravity current. For $P>P_c$, we observe that the descending plume is bent over and develops a pair of counter-rotating line vortices along the axis of the plume. The ensuing gravity current spreads out downstream of the source, normal to the motion of the source. Analogous processes occur with particle-laden plumes, but there is a second dimensionless parameter $S$, the ratio of the particle fall speed, $v_s$, to the vertical speed of a plume in a crossflow, $(B_0/u_a z_0)^{1/2}$. For $S\ll 1$, particles remain well mixed in the plume and a particle-driven gravity current develops. For $S\gg 1$, particles separate from the plume prior to impacting the boundary which leads to a fall deposit and no gravity current. We discuss these results in the context of deep-sea mining.
Flow within submerged canopies influences the transport of nutrients, sediment, pollutants, plant seeds and the settlement of larvae. To improve our understanding of mass transport within canopies, a simple model is proposed to predict the total time-varying velocity within submerged rigid canopies (representing coral reefs) and flexible canopies (representing seagrasses and saltmarshes). The model divides the momentum equations into a canopy layer and free-stream layer. The difference in the time derivative of the velocity between the two layers is balanced by the sum of the shear stress and canopy drag, both of which depend on the in-canopy total velocity. The present model extended the shear stress model developed for steady current to combined current and wave conditions without additional calibrating coefficients. The model agreed well with the in-canopy velocity measured in the present and several previous studies. Importantly, the proposed model significantly improved the accuracy of canopy time-mean velocity prediction, which reduced the root mean square error by more than 50 %, compared with previous models. The model revealed that the addition of waves can significantly decrease the in-canopy time-mean velocity.
Biodesign is a relatively new interdisciplinary field, which has grown rapidly over the last decade (as evidenced for example by the growth in student teams entering the Biodesign Challenge from 9 in 2016 to 52 in 2024).
In this work, a three degrees-of-freedom (3-DoF) static quadcopter unmanned aerial vehicle (UAV) test-rig of a pendulum-type configuration is custom-designed, developed, instrumented, and interfaced with a PC. The rig serves as a test bed to develop high-fidelity mathematical models as well as to investigate autopilot designs and real-time closed-loop controllers’ performances. The Simulink Desktop Real-Time software is employed for the quadcopter’s attitude signals acquisition and real-time implementation of closed-loop controllers on a target microcontroller hardware. The mathematical models for pitch, roll, and yaw axes are derived via the first principle and validated with the experimental linear system identification (SI) techniques. Subsequently, employing the multi-parameter root contour technique, the classical proportional integral derivative (PID) controllers are designed and implemented in real-time on the quadcopter UAV test rig. This served as a benchmark controller for comparing it with an integral-based linear quadratic regulator (LQR) controller. Further, to improve the transient response of the LQR controller, a novel robust integral-based LQR controller with a feedforward term (LQR-FF) is implemented, which shows much superior performance than the benchmark and basic LQR controller. This work thus will act as a precursor for a more complex 3-DoF autopilot design of an untethered quadcopter.
The damage characteristics of fused silica were investigated under low-temporal coherence light (LTCL). It was found that the laser-induced damage threshold (LIDT) of fused silica for the LTCL was lower than that of the single longitudinal mode pulse laser, and for the LTCLs, the LIDTs decrease with the increasing of laser bandwidth, which is not consistent with the temporal spike intensity. This is due to the nonlinear self-focusing effect and multi-pulse accumulation effect. The specific reasons were analyzed based on theoretical simulation and experimental study. This research work is helpful and of great significance for the construction of high-power LTCL devices.
We propose an efficient method to reconstruct the turbulent flow field in a neutrally stratified atmospheric boundary layer using large-eddy simulation (LES) and a series of lidar measurements. The reconstruction is formulated as a strong four-dimensional variational data assimilation problem, which involves optimizing two competing terms that contribute in the objective functional. The first term is a likelihood term, while the second contains the initial background distribution of turbulent velocity fluctuations and works as a regularization term. However, computing and storing the full background covariance tensor in turbulent flows is time consuming and resource intensive. In the current work, we investigate the possibility of replacing the complex background tensor by simple analytical approximations based on spectral tensors such as the Hunt–Graham–Wilson (HGW) model (Boundary-Layer Meteorol., vol. 85, 1997, pp. 35–52) or the Mann model (J. Fluid Mech., vol. 273, 1994, pp. 141–168). Afterwards, the problem is solved using a quasi-Newton algorithm and preconditioned to enhance the convergence rate. We test the method using virtual lidar measurements collected on a fine reference LES. Results show a super-linear convergence rate of the optimization algorithm to a local minimum and very good agreement between virtual lidar measurements and reconstruction in the scanning region. Furthermore, we demonstrate that incorporating the Saffman energy spectrum ($E(k) \sim k^2$ where E is the energy spectrum and k is the magnitude of the wavenumber vector) at low wavenumbers into the Mann spectral tensor yields a longer streamwise correlation length, resulting in reduced reconstruction error when compared with the Batchelor spectrum ($E(k) \sim k^4$). Finally, we observe that using the HGW model or Mann model with a Saffman spectrum yields similar results.
Supersonic backward-facing step (BFS) flow is numerically studied using direct numerical simulation (DNS) and global stability analysis (GSA) with a free stream Mach number of 2.16 and a Reynolds number of 7.938 × 105 based on the flat-plate length L and free stream conditions. Two-dimensional BFS flow becomes unstable to three-dimensional perturbations as the step height h exceeds a certain value, while no two-dimensionally unstable mode is found. Global instability occurs with the fragmentation of the primary separation vortex downstream of the step. Two stationary modes and one oscillatory unstable mode are obtained at a supercritical ratio of L/h = 32.14, among which the two stationary modes originate from the coalescence of a pair of conjugate modes. The most unstable mode manifests itself as streamwise streaks in the reattached boundary layer, which is similar to that in shock-induced separated flow, although the flow separation mechanisms are different. Without introducing any external disturbances, the DNS captures the preferred perturbations and produces a growth rate in agreement with the GSA prediction in the linear growth stage. In the quasi-steady stage, the secondary separation vortex breaks up into several small bubbles, and the number of streamwise streaks is doubled. A low-frequency unsteadiness that may be associated with the oscillatory mode is also present.
Elasto-inertial turbulence (EIT) is a recently discovered two-dimensional chaotic flow state observed in dilute polymer solutions. Two possibilities are currently hypothesized to be linked to the dynamical origins of EIT: (i) viscoelastic Tollmien–Schlichting waves and (ii) a centre-mode instability. The nonlinear evolution of the centre mode leads to a travelling wave with an ‘arrowhead’ structure in the polymer conformation, a structure also observed instantaneously in simulations of EIT. In this work we conduct a suite of two-dimensional direct numerical simulations spanning a wide range of polymeric flow parameters to examine the possible dynamical connection between the arrowhead and EIT. Our calculations reveal (up to) four coexistent attractors: the laminar state and a steady arrowhead regime (SAR), along with EIT and a ‘chaotic arrowhead regime’ (CAR). The SAR is stable for all parameters considered here, while the final pair of (chaotic) flow states are visually very similar and can be distinguished only by the presence of a weak polymer arrowhead structure in the CAR regime. Analysis of energy transfers between the flow and the polymer indicates that both chaotic regimes are maintained by an identical near-wall mechanism and that the weak arrowhead does not play a role. Our results suggest that the arrowhead is a benign flow structure that is disconnected from the self-sustaining mechanics of EIT.
We investigate the effect of particle inertia on the merger of co-rotating dusty vortex pairs at semi-dilute concentrations. In a particle-free flow, the merger is triggered once the ratio of vortex core size to vortex separation reaches a critical value. The vortex pair separation then decreases monotonically until the two cores merge together. Using Eulerian–Lagrangian simulations of co-rotating particle-laden vortices, we show substantial departure from the vortex dynamics previously established in particle-free flows. Most strikingly, we find that disperse particles with moderate inertia cause the vortex pair to push apart to a separation nearly twice as large as the initial separation. During this stage, the drag force exerted by particles ejected out of the vortex cores on the fluid results in a net repulsive force that pushes the two cores apart. Eventually, the two dusty vortices merge into a single vortex with most particles accumulating outside the core, similar to the dusty Lamb–Oseen vortex described in Shuai & Kasbaoui (J. Fluid Mech., vol 936, 2022, p. A8). For weakly inertial particles, we find that the merger dynamics follows the same mechanics as that of a single-phase flow, albeit with a density that must be adjusted to match the mixture density. For highly inertial particles, the feedback force exerted by the particles on the fluid may stretch the two cores during the merger to a point where each core splits into two, resulting in inner and outer vortex pairs. In this case, the merger occurs in two stages where the inner vortices merge first, followed by the outer ones.
In a recent series of papers, Poll and Schumann have been developing a simple model for estimating fuel burn for turbofan powered, civil transport aircraft for a given mass, Mach number and flight level and in a specified ambient temperature profile for all phases of flight. This paper focuses upon the combination of Mach number and flight level at which an aircraft cruises with the absolute minimum fuel burn. For a given aircraft type, the information necessary to determine these conditions must be specified and this poses a challenge. An initial attempt to obtain these data has been described previously by the first author. In this paper, the optimum conditions are found using a completely different approach. Starting from first principles and using established theory, the equations governing the situation where engine overall efficiency and airframe lift-to-drag ratio both have local maxima at the same flight condition are developed. This special case is termed the “design optimum” condition and, for a specified aircraft mass and a specified atmospheric temperature versus pressure profile, it gives the lowest possible fuel burn for any aircraft and engine combination. The design optimum occurs at a particular Mach number and Reynolds number, and it is a fixed characteristic of the aircraft. The analysis reveals the significance of Reynolds number variations, wave drag, including its derivatives with respect to both lift coefficient and Mach number, and the atmospheric properties. Whilst wave drag is notoriously difficult to determine accurately, it is found that solutions to the equations are not particularly sensitive to the accuracy of this quantity. Consequently, a simple, physically realistic model can give good results. An appropriate model is developed and a complete, approximate solution is obtained. Taking the International Standard Atmosphere as the design atmosphere, results are presented for the 53 aircraft types previously considered by Poll and Schumann. Relative to the design optimum conditions, when Reynolds number is constant and wave drag is zero, compressibility alone reduces L/D by about 5%, reduces lift coefficient by about 1.5% and increases drag coefficient by about 3.5%. Reynolds number variation has little effect upon L/D, but it reduces lift coefficient and drag coefficient by a further 7% and 8% respectively. The reduction in lift coefficient has a significant impact on the optimum cruise flight level.
In general, an aircraft’s operating optimum will not coincide with its design optimum, but deviations are expected to be small. Therefore, using the design optimum solution as a reference point, an improved version of the operating optimum estimation method described by Poll and Schumann in previous work is developed. This allows the estimation of the conditions for absolute minimum fuel burn for an aircraft of given mass flying thorough any atmosphere. Updated coefficients for the 53 aircraft types are given.
We develop a physics-informed neural network (PINN) to significantly augment state-of-the-art experimental data of stratified flows. A fully connected deep neural network is trained using time-resolved experimental data in a salt-stratified inclined duct experiment, consisting of three-component velocity fields and density fields measured simultaneously in three dimensions at Reynolds number $= O(10^3)$ and at Prandtl or Schmidt number $=700$. The PINN enforces incompressibility, the governing equations for momentum and buoyancy, and the boundary conditions at the duct walls. These physics-constrained, augmented data are output at an increased spatio-temporal resolution and demonstrate five key results: (i) the elimination of measurement noise; (ii) the correction of distortion caused by the scanning measurement technique; (iii) the identification of weak but dynamically important three-dimensional vortices of Holmboe waves; (iv) the revision of turbulent energy budgets and mixing efficiency; and (v) the prediction of the latent pressure field and its role in the observed asymmetric Holmboe wave dynamics. These results mark a significant step forward in furthering the reach of experiments, especially in the context of stratified turbulence, where accurately computing three-dimensional gradients and resolving small scales remain enduring challenges.
Single-particle cryogenic electron microscopy (cryo-EM) is an imaging technique capable of recovering the high-resolution three-dimensional (3D) structure of biological macromolecules from many noisy and randomly oriented projection images. One notable approach to 3D reconstruction, known as Kam’s method, relies on the moments of the two-dimensional (2D) images. Inspired by Kam’s method, we introduce a rotationally invariant metric between two molecular structures, which does not require 3D alignment. Further, we introduce a metric between a stack of projection images and a molecular structure, which is invariant to rotations and reflections and does not require performing 3D reconstruction. Additionally, the latter metric does not assume a uniform distribution of viewing angles. We demonstrate the uses of the new metrics on synthetic and experimental datasets, highlighting their ability to measure structural similarity.
Self-sustained, low-frequency, coherent flow unsteadiness over rigid, stationary aerofoils in the transonic regime is referred to as transonic buffet. This study examines the role of shock waves in sustaining this transonic phenomenon and its relation to low-frequency oscillations (LFO) that occur in flow over aerofoils in the incompressible regime (Zaman et al., J. Fluid Mech., vol. 202, 1989, pp. 403–442). This is investigated by performing large-eddy simulations of the flow over a NACA0012 profile for a wide range of flow conditions under free-transition conditions. At low Reynolds numbers, zero incidence angle and sufficiently high free-stream Mach numbers, $M$, transonic buffet occurs with shock waves present in the flow. However, when $M$ alone is lowered, self-sustained, periodic oscillations at a low frequency are observed even though shock waves are absent and the entire flow field remains subsonic at all times. At higher incidence angles, the oscillations are sustained at progressively lower $M$ and are present even at $M=0.3$, where compressibility effects are low. A spectral proper orthogonal decomposition (SPOD) shows that the spatial structure of these oscillations is consistent for all cases. The SPOD modes are topologically similar, suggesting a connection between transonic buffet and LFO in the incompressible regime. Comparisons with other studies examining transonic buffet on various aerofoils, under forced-transition and fully turbulent conditions support this hypothesis. Future studies using tools of global linear stability analysis, especially at high free-stream Reynolds numbers are required to examine whether the underlying mechanisms of transonic buffet and incompressible LFO are the same.