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The crystal structure of benserazide hydrochloride Form I has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Benserazide hydrochloride Form I crystallizes in space group P21/n (#14) with a = 19.22983(15), b = 14.45066(10), c = 4.57982(2) Å, β = 93.6935(3), V = 1270.014(15) Å3, and Z = 4 at 295 K. The crystal structure contains pairs of hydrogen-bonded benserazide cations, which are hydrogen bonded to chloride anions, resulting in chains along the c-axis. In addition, O–H⋯Cl, N–H⋯O, O–H⋯N, and O–H⋯O hydrogen bonds link the cations and anions into a three-dimensional framework. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).
This is the first of a two-part paper. We formulate a data-driven method for constructing finite-volume discretizations of an arbitrary dynamical system's underlying Liouville/Fokker–Planck equation. A method is employed that allows for flexibility in partitioning state space, generalizes to function spaces, applies to arbitrarily long sequences of time-series data, is robust to noise and quantifies uncertainty with respect to finite sample effects. After applying the method, one is left with Markov states (cell centres) and a random matrix approximation to the generator. When used in tandem, they emulate the statistics of the underlying system. We illustrate the method on the Lorenz equations (a three-dimensional ordinary differential equation) saving a fluid dynamical application for Part 2 (Souza, J. Fluid Mech., vol. 997, 2024, A2).
With the development of the communication field, more and more communication devices need multiple single-frequency antennas to work simultaneously. However, using multiple single-frequency antennas results in larger sizes. The miniaturized and dual-band communication system has become a new development trend. This paper designs a dual-band filtering patch antenna based on a multimode resonator, which is cascaded. The filter resonator part adopts step impedance resonance for branch shunt design, which can flexibly control the center frequency of two frequency bands. The filtering antenna utilizes a dual-layer substrate structure and achieves an integrated design through coupling probe feeding. This reduces the horizontal dimensions and improves miniaturization. Multiple radiation nulls are introduced outside the two-passband, and roll-off characteristics are evident. In addition, this design realizes high selectivity in the operating band. The antenna has large gains of 1.71 dBi and 6.25 dBi. It has good filtering and radiation characteristics.
Effusion cooling is one of the significant cooling technologies in combustor liners in terms of cooling efficiency and weight reduction. However, effusion cooling technology is difficult to manufacture. In fact this technology requires laser-drilling of thousands of tiny holes with shallow angles on a sheet metal with a thickness generally varying between 0.5 to 1.5 mm. In addition, the use of thermal barrier coating is common in gas turbine engines and is one more challenge for the drilling process. In order to obtain more efficient gas turbine engines, the inlet temperature keeps increasing in the last decades, which induces the combustion chamber to operate in a hotter environment. Therefore, efficient cooling technology is needed, even if it is hard to manufacture. For laser drilling, several parameters have to be explored to obtain acceptable holes. This study includes the microstructure investigations of the holes produced with different laser parameters and the optimal laser parameters determined according to the microstructure of six different effusion cooling hole configurations. The results show that laser process differences affect the metal substrate microstructure and thermal barrier coating structure. Drilling method, peak power, number of pulses, gas type and pressure value have a significant effect on the hole geometry and its microstructure.
This is the second part of a two-part paper. We apply the methodology of the first paper (Souza, J. Fluid Mech., vol. 997, 2024, A1) to construct a data-driven finite-volume discretization of the Liouville/Fokker–Planck equation of a high-dimensional dynamical system, i.e. the compressible Euler equations with gravity and rotation evolved on a thin spherical shell. We show that the method recovers a subset of the statistical properties of the underlying system, steady-state distributions of observables and autocorrelations of particular observables, as well as revealing the global Koopman modes of the system. We employ two different strategies for the partitioning of a high-dimensional state space, and explore their consequences.
Horizontal convection at large Rayleigh and Prandtl numbers is studied experimentally in a regime up to seven orders of magnitude larger in terms of Rayleigh numbers than previously achieved. To reach Rayleigh numbers up to $10^{17}$, the horizontal density gradient is generated using differential solutal convection by a differential input of salt and fresh water controlled by diffusion in a novel experiment in which the zero-net mass flux of water is ensured through permeable membranes. This set-up allows us to accurately measure the Nusselt number in solutal convection by carefully controlling the amount of salt water exchanged through the membranes. Combined measurements of density and velocity across more than five orders of magnitude in Rayleigh numbers show that the flow transitions from the Beardsley & Festa (J. Phys. Oceanogr., vol. 2, issue 4, 1972, pp. 444–455), Shishkina & Wagner (Phys. Rev. Lett., vol. 116, issue 2, 2016, 024302) regime to the Chiu-Webster et al. (J. Fluid Mech., vol. 611, 2008, pp. 395–426) regime and frames the present results within the scope of Shishkina et al. (Geophys. Res. Lett., vol. 43, issue 3, 2016, pp. 1219–1225), and the theory of Part 1 (Passaggia & Scotti, vol. 997, 2024, J. Fluid Mech., A5). In particular, we show that, even for large Prandtl numbers, the circulation eventually clusters underneath the forcing horizontal boundary, leaving a stratified core without motion. Finally, the previous regime diagrams (Hughes & Griffiths, Annu. Rev. Fluid Mech., vol. 40, 2008, pp. 185–208; Shishkina et al., Geophys. Res. Lett., vol. 43, issue 3, 2016, pp. 1219–1225) are extended by combining the present results at high Prandtl numbers, the results at low Prandtl numbers of Part 1, together with previous results from the literature. This work sets a new picture of the transition landscape of horizontal convection over six orders of magnitude in Prandtl number and sixteen orders of magnitude in Rayleigh number.
Controller synthesis offers a correct-by-construction methodology to ensure the correctness and reliability of safety-critical cyber-physical systems (CPS). Controllers are classified based on the types of controls they employ, which include reset controllers, feedback controllers and switching logic controllers. Reset controllers steer the behavior of a CPS to achieve system objectives by restricting its initial set and redefining its reset map associated with discrete jumps. Although the synthesis of feedback controllers and switching logic controllers has received considerable attention, research on reset controller synthesis is still in its early stages, despite its theoretical and practical significance. This paper outlines our recent efforts to address this gap. Our approach reduces the problem to computing differential invariants and reach-avoid sets. For polynomial CPS, the resulting problems can be solved by further reduction to convex optimizations. Moreover, considering the inevitable presence of time delays in CPS design, we further consider synthesizing reset controllers for CPS that incorporate delays.
The free-stream turbulence (FST) induced transition in perfect and non-ideal gas zero-pressure-gradient flat-plate boundary layers is investigated by means of large-eddy simulations. The study focuses on the influence of large incoming disturbances over the laminar-to-turbulent transition, by comparing two different integral length scales $L_f$, which differ by a factor of seven, at different FST intensities $T_u$. High-subsonic dense-gas boundary layers of the organic vapour Novec649, representative of organic Rankine cycle applications, are compared with air flows at Mach numbers 0.1 and 0.9. Compressibility and non-ideal gas effects are shown to be of minor importance in comparison to the influence of the FST integral length scale $L_f$. An increase of the inlet turbulent intensity always promotes transition, whereas an increase of $L_f$ has a double effect on the transition onset. At $T_u=2.5\,\%$, increasing $L_f$ promotes the transition, while it tends to delay transition for an FST intensity of 4 %. Larger FST integral scales tend to increase the spanwise distance between laminar streaks generated in the boundary layer. Two competing transition scenarios are observed. When the incoming turbulence intensity and length scale are moderate, the classical bypass route consists in the linear non-modal growth of streaks, which then experience secondary instabilities (sinuous or varicose) and lead to the generation of turbulent spots. The second scenario is characterized by the appearance of $\Lambda$-shaped structures near the inlet, which are further stretched to hairpin vortices before breaking down to turbulence. Spot inceptions can therefore occur at earlier locations than the streak growth. We are then faced with a competition between the classical bypass transition and nonlinear response mechanisms that ‘bypass’ this route. The present case at high $L_f$ and low $T_u$ is an example of a competing scenario, but even for the higher $T_u$ and $L_f$ conditions, only approximately one-third of turbulent spots are due to the $\Lambda$-shaped events. The nonlinear alternative route has strong similarities with scenarios described previously in the literature in the presence of leading edge effects or due to passing wakes. Such a path is governed by the turbulence intensity, but also by the integral length scale, with both parameters playing a critical role in the generation of the $\Lambda$-shaped structures near the inlet. This alternative mechanism is found to be robust under varying flow and thermodynamic conditions.
In studying the transport of inclusions in multiphase systems we are often interested in integrated quantities such as the net force and the net velocity of the inclusions. In the reciprocal theorem the known solution to the first and typically easier boundary value problem is used to compute the integrated quantities, such as the net force, in the second problem without the need to solve that problem. Here, we derive a reciprocal theorem for poro-viscoelastic (or biphasic) materials that are composed of a linear compressible solid phase, permeated by a viscous fluid. As an example, we analytically calculate the time-dependent net force on a rigid sphere in response to point forces applied to the elastic network and the Newtonian fluid phases of the biphasic material. We show that when the point force is applied to the fluid phase, the net force on the sphere evolves over time scales that are independent of the distance between the point force and the sphere; in comparison, when the point force is applied to the elastic phase, the time scale for force development increases quadratically with the distance, in line with the scaling of poroelastic relaxation time. Finally, we formulate and discuss how the reciprocal theorem can be applied to other areas, including (i) calculating the network slip on the sphere's surface, (ii) computing the leading-order effects of nonlinearities in the fluid and network forces and stresses, and (iii) calculating self-propulsion in biphasic systems.
The peculiar migration and rotational dynamics of non-spherical particles in non-Newtonian flows stem from the interplay between fluid rheology and fluid inertial effects. In this paper, the cross-flow migration of a neutrally buoyant oblate spheroid (aspect ratio $AR = 0.5$) immersed in the elasto-inertial duct flow is investigated by particle-resolved simulations with the immersed boundary method. Different from spherical particles, due to the orientation-dependent lift force, the oblate spheroid migrates in an oscillating manner in the duct. The travelling period for particles reaching the duct centreline undergoes a non-monotonic change with elastic number, revealing the existence of a critical elastic number governing the migrating efficiency of oblate particles within the present flow system. For the particle rotation and orientation, the present results indicate that the particle rotation rate and orbit drifting rate are both hindered by the fluid elasticity. With increasing the fluid elasticity, three different orientation modes – log-rolling mode, kayaking-like mode and longside-flow alignment mode – are observed successively during the elasto-inertial migration of the oblate spheroid. Potentially, the present results could be used to design the rheology-based controlling strategy for guiding particles to achieve optimal focusing and orientation in microfluidic applications without the need for external forcing fields.
High-resolution simulations of gravity currents in the lock-exchange configuration are conducted to study the flow within the head. The simulations exhibit the geometric features of the head as reported in the laboratory experiments and numerical simulations, and provide more detailed information on the flow within the head of a gravity current. The flow in the lower part of the head, where the lobes and clefts are forming at the leading edge, is qualitatively different from but interconnected to the flow in the upper part of the head, where steepening bulges are protruding from the upright surface above the clefts. Interestingly, regions of positive and negative streamwise vorticity are observed not only in the lower part of the head but also in the upper part of the head at staggered spanwise locations. We have shown that both the streamwise vorticity at the leading edge of the lobes in the lower part of the head and the streamwise vorticity at the steepening bulges in the upper part of the head are contributed from the twisting of spanwise vorticity into the streamwise direction, due to the geometric features of the lobes and the steepening bulges, and contributed from the baroclinic production of vorticity. Our results from visualization using tracers indicate that the ambient fluid ingested in and rising from the clefts is being swept towards the leading edge of a gravity current before being carried upwards from the leading edge to the upright surface above the left and right neighbouring lobes. Furthermore, the heavy fluid inside a lobe may descend towards the bottom boundary, move forward towards the leading edge and outwards towards the neighbouring clefts, and ultimately be carried upwards to the upright surface above the left and right neighbouring lobes. With the knowledge that the erosive power of a gravity current is concentrated in the head region, it is plausible that the bed material, once resuspended by a gravity current, may be lifted up away from the bottom boundary and be dispersed in both the streamwise and spanwise directions. The present study complements existing findings in the literature and provides new insights into the three-dimensional flow field within the head of a gravity current.
We analyze a dataset from a numerically simulated, temporally evolving turbulent wake (Zhou, Phys. Rev. Fluids, vol. 7, 2022, 104802) that exhibits spontaneous anisotropic layering under strong stratification, alongside significant spatiotemporal variability within the flow. This analysis focuses on the irreversible flux coefficient, $\varGamma$, defined as the ratio between turbulent potential and kinetic energy dissipation rates. We find that the volume-averaged $\varGamma$ initially rises, reaches a plateau between 0.45 and 0.49 when the layering dynamics become dominant, and then decreases as viscosity plays a larger role. These peak $\varGamma$ values are consistent with those from prior simulations under strongly stratified conditions. Such efficient mixing occurs when the Ozmidov to Thorpe length scale ratio is between 0.37 and 0.52, consistent with numerical and field data reported by Mashayek et al. (J. Fluid Mech., vol. 826, 2017, pp. 522–552). To account for the coexistence of dynamically distinct regions within the flow, we perform conditional sampling of $\varGamma$ against a locally defined gradient Richardson number, ${\textit {Ri}}$. This reveals a flux-gradient relation between $\varGamma$ and ${\textit {Ri}}$ that remains largely consistent over time. This relation features a large, approximately constant value of $\varGamma$ for ${\textit {Ri}}$ values greater than one, echoing the ‘constant-power’ scenario postulated by Balmforth et al. (J. Fluid Mech., vol. 355, 1998, pp. 329–358).
Understanding the effect of intricate surface wettability conditions on microswimmers is crucial for precisely navigating them across narrow microcirculatory networks. Here, we adopt the spherical squirmer model and Navier slip condition to delineate the microswimmer locomotion under a Poiseuille flow in a slit microchannel. Through a combined analytical–numerical approach utilizing bispherical coordinates and the superposition technique, we resolve the slip-modulated simultaneous hydrodynamic interaction with substrate boundaries. Phase portraits reveal that slip significantly alters propulsion mechanisms, destabilizing centreline stable oscillations of pullers beyond a threshold slip length. Superhydrophobic surfaces suppress near-wall rheotaxis states but preserve centreline focusing, facilitating slip-assisted directed transport without surface accumulation. Under strong background flows, subcritical Hopf bifurcation emerges for pullers at a critical slip length, transitioning dynamics from coexisting stable and unstable states to purely unstable behaviour. Contrastingly, for pushers, slip causes a transition from unstable to either stable or fixed-amplitude oscillations. Increased slip length reduces hydrodynamic repulsion on pullers from the walls by enhancing rotational velocity near the walls, whereas it counteracts the torque that causes unstable oscillations of pushers. Three-dimensional analysis of the trajectories reveals the significant role of the out-of-plane orientation of the microswimmer in its transitions between different swimming states. The presented regime maps offer parametric combinations for specific motion behaviours, guiding the development of smart microfluidic drug delivery systems and preventing biofilm deposition in biomedical devices.
The turbulent wake behind a flat-back Ahmed body is investigated using stacked stereoscopic particle image velocimetry. The wake is disturbed by a steady jet from the centre of the base and the effects are quantified for key blowing rates. The unactuated wake exhibits bistable dynamics in the horizontal plane that are completely subdued for the optimal blowing case, yielding a base drag reduction of 9 %. The three-dimensional mean wake is reconstructed and used to evaluate the wake mass fluxes whose equilibrium determines the recirculation length. The results for the unactuated wake show that up to 80 % of replenishment fluid flux entering the recirculation bubble from the free-stream flow is provided through the low-pressure side of the base, where the symmetry-breaking shear layer roll-up occurs near the base. For the optimal blowing configuration, where the wake becomes symmetric, the flux of wake replenishment is severely reduced. This flow configuration results in elongated shear layers on all sides, which terminate the bubble with a roll-up of reduced intensity at a further downstream location. The dominant cause of bubble growth and the accompanying drag reduction is attributed to the momentum of the base blowing, and the new regime is referred to as the ‘favourable momentum regime’. Similar trends are observed when the model is at $5^{\circ }$ yaw where a reduction of drag and yaw-induced asymmetry are obtained. Proper orthogonal decomposition of the wake reveals the coherent structures related to the bistable flow and the symmetric wake under optimal blowing coefficient.
To study two-dimensional dispersive waves propagating through turbulent flows, a new and less restrictive fast waves approximation is proposed using a multiscale setting. In this ansatz, large and small scales of the turbulence are treated differently. Correlation lengths of the random small-scale turbulence components can be considered negligible in the wave packet propagating frame. Nevertheless, the large-scale flow can be relatively strong, to significantly impact wavenumbers along the propagating rays. New theoretical results, numerical tools and proxies are derived to describe ray and wave action distributions. All model parameters can be calibrated robustly from the large-scale flow component only. We illustrate our purpose with ocean surface gravity waves propagating in different types of surface currents. The multiscale solution is demonstrated to efficiently document wave trapping effects by intense jets.
The field of Biodesign holds immense potential in transforming our understanding of the brain and enhancing the capabilities of biotech devices. Over the past decade, this interdisciplinary area has experienced rapid growth, driven by pioneering research, the rise of design-focused biotech startups, and the expansion of educational programs globally.
Trapped surface waves have been observed in a swimming pool trapped by, and rotating around, the cores of vortices. To investigate this effect, we have numerically studied the free-surface response of a Lamb–Oseen vortex to small perturbations. The fluid has finite depth but is laterally unbounded. The numerical method used is spectrally accurate, and uses a novel non-reflecting buffer region to simulate a laterally unbounded fluid. While a variety of linear waves can arise in this flow, we focus here on surface gravity waves. We investigate the linear modes of the vortex as a function of the perturbation azimuthal mode number and the vortex rotation rate. We find that at low rotation rates, linear modes decay by radiating energy to the far field, while at higher rotation rates modes become nearly neutrally stable and trapped in the vicinity of the vortex. While trapped modes have previously been seen in shallow water surface waves due to small perturbations of a bathtub vortex, the situation considered here is qualitatively different owing to the lack of an inward flow and the dispersive nature of non-shallow-water waves. We also find that for slow vortex rotation rates, trapped waves propagate in the opposite direction to the vortex rotation, whereas, above a threshold rotation rate, waves corotate with the flow.
The first two parts of this study showed by experiment and by large-eddy simulation that, in mixing layers formed of processions of spanwise-oriented vortex structures, there is a fundamental change in the dynamics of the large-structure growth at what has been called the ‘mixing’ transition. This third part examines the relationship of the post-transition ‘organised’ flow to the mixing layer of classical turbulence theory. Further large-eddy simulations are presented which, like some of the experiments reported in Part 1, have captured the mixing layer in both its classical and organised turbulent states, thereby allowing them to be characterised separately. The simulation results are then used to calibrate model-free integral analyses of the dynamics of the mixing layer's spatial growth. It is shown that the organised and classical flows are alternative self-preserving turbulent flow states involving fundamentally different exchanges of mass, momentum and energy, one or other of which emerges naturally in particular realisations depending on the initial conditions.
The internal flow within an evaporating sessile droplet has intriguing fluid mechanics important to various microfluidics applications. In the present study, a phenomenon is observed through numerical methods wherein the buoyancy-driven flow structure inside a droplet on a non-wetting substrate transitions from an axisymmetric toroidal vortex flow to a non-axisymmetric single vortex flow with increase in the substrate temperature. As the axisymmetric nature of the droplet flow field and evaporation characteristics are broken, the internal velocity accelerates significantly. The transition, which is attributed to a flow instability inside the droplet, is more prone to occur as the droplet volume or the contact angle increases. The onset of the flow transition is analysed as the amplification of a small perturbation, thereby establishing a correlation between the flow instability and the Rayleigh number (Ra). Specifically, when Ra exceeds some critical value, the onset of the flow transition is observed, which explains the effects of substrate temperature and droplet volume on the internal flow. Next, the influence of the droplet contact angle on the critical Ra was investigated, and the underlying reasons were analysed. Finally, we discuss the heat transfer efficiency within the droplet and analyse why the internal flow tends to transition to a non-axisymmetric flow pattern from an energy minimization perspective.
Synthetic textiles, such as polyester, are resistant to natural degradation and constitute approximately 65% of global circulating textile fibers, posing a significant environmental challenge due to their persistence in ecosystems. The global textile industry is responsible for nearly 10% of total global carbon emissions annually and increasing environmental waste. One emerging solution to the industry’s negative environmental impacts is bio-based textile materials that are biodegradable and low-carbon to reduce dependencies on petroleum oil. This paper presents the evolutionary design journey and novel development of earth- and bio-based wearable textiles, coined as BioMud Fabrics, which consist entirely of geo- and bio-based materials. The qualitative and quantitative research-by-design methodological toolkit includes material characterization analysis, microstructural analysis using scanning electron microscopy (SEM) and macro-scale structural characterization using tearing tests following ASTM D5587. The developed fabrics were then applied in a series of speculative design demonstrations with fashion design serving as a central case study. This research uniquely combines material science and engineering with exploratory fashion design and architectural practices with the goal of offering radically innovative biomaterials in an effort to shift towards a more circular material paradigm.