Hydrodynamic Simulations Research Articles

Separated reactant mix width across diffusion-dominated and hydrodynamically dominated interface mix in inertial confinement fusion implosions

Diffusion-dominated mix in inertial confinement fusion (ICF) is characterized where the majority of the mix occurs in the immediate fuel-shell interface while hydrodynamic-dominated mix pulls shell material from farther away into the central fuel. A thin (150 nm) separated reactants ICF mix platform is highly sensitive to the amount of mix from the first micron of shell-fuel interface. This fine-spatial resolution platform has revealed that material mix in moderate convergence (CR∼12) ICF implosions is dominated by a diffusion mechanism. This technique has now been expanded across a set of OMEGA ICF implosions, observing an increase in mix width and mix amount for cooler, slower, and more compressive implosions. Hydrodynamic simulations require a buoyancy-drag mix model to capture the increasing mix width, suggesting a transition between these two mix mechanisms. Published by the American Physical Society 2024

In-medium gluon radiation spectrum with all-order resummation of multiple scatterings in longitudinally evolving media

Over the past years, there has been a sustained effort to systematically enhance our understanding of medium-induced emissions occurring in the quark-gluon plasma, driven by the ultimate goal of advancing our comprehension of jet quenching phenomena. To ensure meaningful comparisons between these new calculations and experimental data, it becomes crucial to model the interplay between the radiation process and the evolution of the medium parameters, typically described by a hydrodynamical simulation. This step presents particular challenges when dealing with calculations involving the resummation of multiple scatterings, which have been shown to be necessary for achieving an accurate description of the in-medium emission process. In this paper, we extend our numerical calculations of the fully-resummed gluon spectrum to account for longitudinally expanding media. This new implementation allows us to quantitatively assess the accuracy of previously proposed scaling laws that establish a correspondence between an expanding medium and a “static equivalent”. Additionally, we show that such scaling laws yield significantly improved results when the static reference case is replaced by an expanding medium with the temperature following a simple power-law decay. Such correspondence will enable the application of numerical calculations of medium-induced energy loss in realistic evolving media for a broader range of phenomenological studies.

Prediction of Sediment Transport and Deposition in the Stone Buddha Temple Reservoir Based on HD and ST Bidirectional Coupling Model

Reservoirs deliver vital ecological services, including water storage and drainage. However, these functions are increasingly compromised by the dual pressures of climate change and human activities. Among the most pressing concerns is reservoir sedimentation, highlighting the urgency of investigating hydrodynamic sediment scouring. This study focuses on the plain reservoirs of Liaoning Province, using the Shifo Temple Reservoir as a case study. An optimized sediment scouring scheme was developed based on the reservoir’s hydrodynamic characteristics to improve water and sediment management. A coupled hydrodynamic and sediment transport (ST) model was constructed to simulate runoff dynamics and sediment distribution within the Liao he River Basin, while the MIKE21 model was applied to simulate the interaction between the hydrodynamics and sediment transport. The study analyzed groundwater dynamics across different runoff scenarios, seasons, and representative years, offering a scientific foundation for optimizing water and sediment allocation strategies. The results demonstrated a strong correlation between simulated and observed data during validation, confirming the accuracy of the hydrodynamic simulations. Utilizing the coupled HD and ST modules, the study proposed a sediment transfer scheme. The analysis revealed that flow rates between 165 and 190 m3/s significantly enhance sediment scouring in the long term (2029–2039) compared to the short term (2024–2029), effectively reducing sedimentation, minimizing deposition length, and lowering silt removal costs. The findings offer critical insights for predicting reservoir evolution and conducting risk assessments, thereby contributing to the sustainable management and ecological restoration of water systems in Liaoning Province.

Hydrodynamic simulation of coastal reservoir in response to flow control: a numerical study of the Saemangeum reservoir

Coastal reservoirs (CRs) are important water resources worldwide, but environmental problems can arise due to limited material mixing caused by the blocked propagation of tidal waves. The Saemangeum Reservoir is a large brackish reservoir in South Korea; owing to its complex fluctuation characteristics, accurate reproduction of its three-dimensional (3D) circulation and material distribution characteristics remains a challenge. Here, we aimed to improve the reproducibility of the Delft3D model through long-term precision monitoring and analyze problems occurring in CRs. The model reproduced the hydraulic flow and stratification phenomena in CRs. The Richardson number ( R i ) was higher than 100, and the Stratification Index ( SI ) was higher than 1 due to the density difference between the surface and bottom layers. The stratification strength of the Saemangeum Reservoir was, therefore, considered high. Moreover, a two-layer circulation occurred due to the strength of the eddy and the horizontal gradient of salinity. When the sluice gate was expanded, the area and number of days where hypoxia occurred decreased. It would also mitigate the retention of materials caused by the eddy and improve circulation. The findings of this study can be used as foundational data for solving and managing hydraulic problems within CRs.

The Milky Way satellite galaxy Leo T: A perturbed cored dwarf

The impact of the dynamical state of gas-rich satellite galaxies at the early moments of their infall into their host systems and the relation to their quenching process are not completely understood at the low-mass regime. Two such nearby systems are the infalling Milky Way (MW) dwarfs Leo T and Phoenix located near the MW virial radius at $414 both of which present intriguing offsets between their gaseous and stellar distributions. Here we present hydrodynamic simulations with ramses to reproduce the observed dynamics of Leo T: its $80 stellar- offset and the 35 offset between its older ($ $) and younger ($ stellar population. We considered internal and environmental properties such as stellar winds, two components, cored and cuspy dark matter profiles, and different satellite orbits considering the MW circumgalactic medium. We find that the models that best match the observed morphology of the gas and stars include mild stellar winds that interact with the generating the observed offset, and dark matter profiles with extended cores. The latter allow long oscillations of the off-centred younger stellar component, due to long mixing timescales ($ and the slow precession of near-closed orbits in the cored potentials; instead, cuspy and compact cored dark matter models result in the rapid mixing of the material ($ These models predict that non-equilibrium substructures, such as spatial and kinematic offsets, are likely to persist in cored low-mass dwarfs and to remain detectable on long timescales in systems with recent star formation.

Simulating the peculiar periphery of the Cygnus Loop

Abstract The middle-aged Galactic supernova remnant (SNR) the Cygnus Loop (CL) displays a peculiar morphology in X-rays, featuring a blowout in the southern region. The underlying process accounting for the formation of the peculiar periphery remains a mystery. To this end, we conduct hydrodynamical simulations to investigate the SNR evolution coupled with a tailored stellar-wind model: a bipolar stellar wind emanating from a runaway red supergiant progenitor, excavating a wind-blown cavity elongated along the $-z$-direction. Our simulation results reveal that the forward shock of the consequent SNR sweeps up the modified ambient media, shaping the overall morphology with a blowout comparable to that of CL. Besides, a series of simulation runs are performed to assess the impacts of different model parameters and the projection effect (observational angle $\theta_{\mathrm{obs}}$) on the final SNR profile. Three physical quantities are extracted from simulation results to characterize the simulated SNR and make a direct comparison with the X-ray observations of CL. We find that the final SNR morphology is sensitive to both stellar-wind properties and $\theta_{\mathrm{obs}}$. A Cygnus-Loop-like SNR could be reproduced under appropriate parameter combinations at $\theta_{\mathrm{obs}}=0^{\circ}$. While for $\theta_{\mathrm{obs}}\lesssim30^{\circ}$, the projected morphology akin to CL could be also generated under specific conditions.

Testing the Accuracy of Spectral Energy Distribution Modeling Techniques Using the NIHAO-SKIRT-Catalog

We use simulated galaxy observations from the NIHAO-SKIRT-Catalog to test the accuracy of spectral energy distribution (SED) modeling techniques. SED modeling is an essential tool for inferring star formation histories from nearby galaxy observations but is fraught with difficulty due to our incomplete understanding of stellar populations, chemical enrichment processes, and the nonlinear, geometry-dependent effects of dust. The NIHAO-SKIRT-Catalog uses hydrodynamic simulations and radiative transfer to produce SEDs from the ultraviolet (UV) through the infrared (IR), accounting for dust. We use the commonly used Prospector software to perform inference on these SEDs and compare the inferred stellar masses and star formation rates (SFRs) to the known values in the simulation. We match the stellar population models to isolate the effects of differences in the star formation history, the chemical evolution history, and the dust. For the high-mass NIHAO galaxies (>109.5 M ⊙), we find that model mismatches lead to inferred SFRs that are on average underestimated by a factor of 2 when fit to UV through IR photometry, and a factor of 3 when fit to UV through optical photometry. These biases lead to significant inaccuracies in the resulting specific SFR–mass relations, with UV through optical fits showing particularly strong deviations from the true relation of the simulated galaxies. In the context of massive existing and upcoming photometric surveys, these results highlight that star formation history inference from photometry may remain imprecise and inaccurate and that there is a pressing need for more realistic testing of existing techniques.

Dust ring and gap formation by gas flow induced by low-mass planets embedded in protoplanetary disks. II. Time-dependent model

The observed dust rings and gaps in protoplanetary disks could be imprints of forming planets. Even low-mass planets in the 1--10 Earth-mass regime, which have not yet carved deep gas gaps, can generate such dust rings and gaps by driving a radially-outward gas flow, as shown in previous work. However, understanding the creation and evolution of these dust structures is challenging due to dust drift and diffusion, requiring an approach beyond previous steady state models. Here we investigate the time evolution of the dust surface density influenced by the planet-induced gas flow based on post-processing three-dimensional hydrodynamical simulations. We find that planets larger than a dimensionless thermal mass of $m=0.05$ corresponding to $0.3$ Earth mass at 1 au or 1.7 Earth masses at 10 au generate dust rings and gaps provided that solids have small Stokes numbers St and that the disk midplane is weakly turbulent ($ diff As dust particles pile up outside the orbit of the planet, the interior gap expands with time when the advective flux dominates over diffusion. Dust gap depths range from a factor of a few to several orders of magnitude, depending on planet mass and the level of midplane particle diffusion. We constructed a semi-analytic model describing the width of the dust ring and gap, and then compared it with the observational data. We find that up to 65<!PCT!> of the observed wide-orbit gaps could be explained as resulting from the presence of a low-mass planet, assuming diff and St However, it is more challenging to explain the observed wide rings, which in our model would require the presence of a population of small particles ($ Further work is needed to explore the role of pebble fragmentation, planet migration, and the effect of multiple planets.

Migration of Accreting Planets and Black Holes in Disks

Nascent planets are thought to lose angular momentum (AM) to the gaseous protoplanetary disk via gravitational interactions, leading to inward migration. A similar migration process also applies to stellar-mass black holes (BHs) embedded in the disks of active galactic nuclei. However, AM exchange via accretion onto the planet/BH may strongly influence the migration torque. In this study, we perform 2D global hydrodynamic simulations of an accreting planet/BH embedded in a disk, where AM exchange between the planet/BH and disk via gravity, accretion, pressure, and viscosity are considered. When accretion is turned off, we recover the linear estimate for Type I migration torque. However, for the two planet masses we investigated with our accreting simulations, we find outward migration due to the positive AM deposited onto the accreting body by the disk gas. Our simulations achieve the global steady state for the transport of mass and AM: The mass and AM fluxes are constant across the disk except for jumps ( ΔṀ and ΔJ̇ ) at the planet’s location, and the jumps match the accretion rate and torque on the planet. Our findings suggest that caution is needed when applying the standard results of disk migration to accreting planets and BHs.

Hydrodynamical Simulations of Proton Ingestion Flashes in Type I X-Ray Bursts

We perform the first multidimensional fluid simulations of thermonuclear helium ignition underneath a hydrogen-rich shell. This situation is relevant to Type I X-ray bursts on neutron stars that accrete from a hydrogen-rich companion. Using the low-Mach number fluid code MAESTROeX, we investigate the growth of the convection zone due to nuclear burning, and the evolution of the chemical abundances in the atmosphere of the star. We also examine the convective boundary mixing processes that cause the evolution to differ significantly from previous one-dimensional simulations that rely on mixing-length theory. We find that the convection zone grows outward as penetrating fluid elements cool the overlying radiative layer, rather than directly from the increasing entropy of the convection zone itself. Simultaneously, these flows efficiently mix composition, carrying carbon out of and protons into the convection zone even before contact with the hydrogen shell. We discuss the implications of these effects for future modeling of these events and observations.

Beryllium–tungsten graded density inner shells in double shell capsules for improved hydrodynamic stability

The outer surface of the high-Z inner shell in the double shell configuration of inertial confinement fusion experiments experiences Rayleigh–Taylor instability growth during the implosion process due to inverted density and pressure gradients between a highly compressed foam interstitial layer and the accelerating dense inner shell. Graded density layers have long been known to reduce instability growth rates. In this study, we employ high-fidelity radiation hydrodynamic simulations to demonstrate this improved stability when grading beryllium into tungsten. We first characterize the response to L-band preheat of these layers using a newly calibrated radiation drive. While graded layer capsules suffer reduced performance (here, measured as DD neutron yield from a CD foam fuel) in 1D simulations due to reduced kinetic energy coupling and reduced fuel compression, they suffer less of a performance drop when 2D instabilities are accounted for. With the improved stability of graded layers, we explore the performance of capsules with larger fuel radii and thinner shells as a preliminary study to find new designs in which graded layers produce the highest yields.

3D Hydrodynamic Simulations of Massive Main-sequence Stars. III. The Effect of Radiation Pressure and Diffusion Leading to a 1D Equilibrium Model

We present 3D hydrodynamical simulations of core convection with a stably stratified envelope of a 25 M ⊙ star in the early phase of the main sequence. We use the explicit gas-dynamics code PPMstar, which tracks two fluids and includes radiation pressure and radiative diffusion. Multiple series of simulations with different luminosities and radiative thermal conductivities are presented. The entrainment rate at the convective boundary, internal gravity waves in and above the boundary region, and the approach to dynamical equilibrium shortly after a few convective turnovers are investigated. We perform very long simulations on 8963 grids accelerated by luminosity boost factors of 1000, 3162 and 10,000. In these simulations, the growing penetrative convection reduces the initially unrealistically large entrainment. This reduction is enabled by a spatial separation that develops between the entropy gradient and the composition gradient. The convective boundary moves outward much more slowly at the end of these simulations. Finally, we present a 1D method to predict the extent and character of penetrative convection beyond the Schwarzschild boundary. The 1D model is based on a spherically averaged reduced entropy equation that takes the turbulent dissipation as input from the 3D hydrodynamic simulation and takes buoyancy and all other energy sources and sinks into account. This 1D method is intended to be ultimately deployed in 1D stellar evolution calculations and is based on the properties of penetrative convection in our simulations carried forward through the local thermal timescale.

Impact of H I cooling and study of accretion disks in asymptotic giant branch wind-companion smoothed particle hydrodynamic simulations

Context. High-resolution observations reveal that the outflows of evolved low- and intermediate-mass stars harbour complex morphological structures that are linked to the presence of one or multiple companions. Hydrodynamical simulations provide a way to study the impact of a companion on the shaping of the asymptotic giant branch (AGB) star out-flow. Aims. Using smoothed particle hydrodynamic (SPH) simulations of an AGB star undergoing mass loss, which also has a binary companion, we study the impact of including H I atomic line cooling on the flow morphology. We also study how this affects the properties of the accretion disks that form around the companion. Methods. We used the PHANTOM code to perform high-resolution 3D SPH simulations of the interaction of a solar-mass companion with the outflow of an AGB star, using different wind velocities and eccentricities. We compared the model properties, computed with and without the inclusion of H I cooling. Results. The inclusion of H I cooling produces a sizeable decrease in the temperature, up to one order of magnitude, in the region closely surrounding the companion star. As a consequence, the morphological irregularities and relatively energetic (bipolar) outflows that were obtained without H I cooling no longer appear. In the case of an eccentric orbit and a low wind velocity, these morphologies are still highly asymmetric, but the same structures recur at every orbital period, making the morphology more regular. Flared accretion disks, with a (sub-)Keplerian velocity profile, are found to form around the companion in all our models with H I cooling, provided the accretion radius is small enough. The disks have radial sizes ranging from about 0.4 to 0.9 au and masses around 10−7−10−8 M⊙. For the considered wind velocities, mass accretion onto the companion is up to a factor of 2 higher than predicted by the standard Bondi Hoyle Littleton rate, ranging between ~4 to 21% of the AGB wind mass loss rate. The lower the wind velocity at the location of the companion, the larger and the more massive the disk and the higher the mass accretion efficiency. In eccentric systems, the disk size, disk mass, and mass accretion efficiency vary, depending on the orbital phase. Conclusions. H I cooling is an essential ingredient to properly model the medium around the companion where density-enhanced wind structures form and it favours the formation of an accretion disk.

All-optical method for generating transient microstructured targets in laser ion acceleration

We demonstrate an all-optical method that online produces “microstructured” targets by manipulating a Laguerre-Gaussian (LG) prepulse. Besides the enhancement of the proton number, the cutoff energy is nearly doubled. Such transient “microstructured” targets are characterized using both offline and online approaches. Based on probe experiments and hydrodynamic simulations, we develop a simple model to describe the electron density distribution upon the arrival of the main pulse. Two-dimensional particle-in-cell simulations reveal that the annular plasma acts as an oscillating cavity for hot electrons and results in a cascaded acceleration effect. The combination of low-intensity LG prepulses and ultraintense Gaussian pulses opens another avenue for fine-tuning laser-plasma interactions spatiotemporally in interdisciplinary applications. Published by the American Physical Society 2024

Origin of Ca II emission around polluted white dwarfs

Dozens of white dwarfs with anomalous metal polluted atmospheres are currently known to host dust and gas discs. The line profiles of the Ca II triplet emitted by the gas discs show a significant asymmetry. In recent decades, researchers have also discovered several minor planets orbiting such white dwarf stars. The most challenging burden of modelling gas discs around metal polluted white dwarfs is to simultaneously explain the asymmetry and metal pollution of the star's atmosphere over a certain period of time. Furthermore, models should also be consistent with other aspects of the observations, such as the morphology of the emission lines. This paper aims to construct a self-consistent model to explain the simultaneous white dwarf pollution and Ca II line asymmetry over at least three years. In our model, an asteroid disintegrates in an eccentric orbit, periodically entering below the star's Roche limit. The debris resulting from the disintegration sublimates at a temperature of 1500 K, producing gas that viscously spreads to form a disc. The evolution of the disc is studied over a period of 1.2 years (over 21000 orbits) using two-dimensional hydrodynamic simulations. Synthetic Ca II line profiles are calculated using the surface mass density and velocity distributions provided by the simulations, taking into account for the first time the asymmetric velocity distribution in the disc. An asteroid disintegrating on an eccentric orbit gives rise to the formation of an asymmetric disc and asymmetric Ca II triplet emission. Our model can explain the periodic reversal of the redshifted and blueshifted peak of the Ca II lines caused by the precession of the disc on timescales of 10.6 to 177.4 days. Our work suggests that the persistence of Ca II asymmetry over decades and its periodic change in the peaks can be explained by asteroids on eccentric orbits in two scenarios. In the first case, the asteroid disrupts on a short timescale (a couple of orbits), and the gas has a low viscosity range ($0.001< to maintain the Ca II signal for decades. In the other scenario, the asteroid disrupts on a timescale of a year, and the viscosity of the gas is required to be high, $

Hydrodynamic 3D Simulation of Roche Lobe Overflow in High-mass X-Ray Binaries

Abstract While binary merger events have been an active area of study in both simulations and observational work, the formation channels by which a high-mass star extends from Roche lobe overflow (RLO) in a decaying orbit of a black-hole (BH) companion to a binary black-hole (BBH) system merits further investigation. Variable length-scales must be employed to accurately represent the dynamical fluid transfer and morphological development of the primary star as it conforms to a diminishing Roche lobe under the runaway influence of the proximal BH. We have simulated and evolved binary mass flow under these conditions to better identify the key transitional processes from RLO to BBHs. We demonstrate a new methodology to model RLO systems to unprecedented resolution simultaneously across the envelope, donor wind, tidal stream, and accretion disk regimes without reliance upon previously universal symmetry, mass flux, and angular momentum flux assumptions. We have applied this method to the semidetached high-mass X-ray binary M33 X-7 in order to provide a direct comparison to recent observations of an RLO candidate system at two overflow states of overfilling factors f = 1.01 and f = 1.1. We found extreme overflow (f = 1.1) to be entirely conservative in both mass and angular momentum transport, forming a conical L1 tidal stream of density and deflected angle comparable to existing predictions. This case lies within the unstable mass transfer (MT) regime as recently proposed of M33 X-7. The f = 1.01 case differed in stream geometry, accretion disk size, and efficiency, demonstrating nonconservative stable MT through a ballistic uniform-width stream. The nonconservative and stable nature of the f = 1.01 case MT also suggests that existing assumptions of semidetached binaries undergoing RLO may mischaracterize their role and distribution as progenitors of BBHs and common envelopes.

TriPoD: Tri-Population size distributions for Dust evolution

Context. Dust coagulation and fragmentation impact the structure and evolution of protoplanetary disks and set the initial conditions for planet formation. Dust grains dominate the opacities, they determine the cooling times of the gas via thermal accommodation in collisions, they influence the ionization state of the gas, and the available grain surface area is an important parameter for the chemistry in protoplanetary disks. Therefore, dust evolution is an effect that should not be ignored in numerical studies of protoplanetary disks. Available dust coagulation models are, however, too computationally expensive to be implemented in large-scale hydrodynamic simulations. This limits detailed numerical studies of protoplanetary disks, including these effects, mostly to one-dimensional models. Aims. We aim to develop a simple – yet accurate – dust coagulation model that can be easily implemented in hydrodynamic simulations of protoplanetary disks. Our model shall not significantly increase the computational cost of simulations and provide information about the local grain size distribution. Methods. The local dust size distributions are assumed to be truncated power laws. Such distributions can be fully characterized by only two dust fluids (large and small grains) and a maximum particle size, truncating the power law. We compare our model to state- of-the-art dust coagulation simulations and calibrate it to achieve a good fit with these sophisticated numerical methods. Results. Running various parameter studies, we achieved a good fit between our simplified three-parameter model and DustPy, a state-of-the-art dust coagulation software. Conclusions. We present TriPoD, a sub-grid dust coagulation model for the PLUTO code. With TriPoD, we can perform twodimensional, vertically integrated dust coagulation simulations on top of a hydrodynamic simulation. Studying the dust distributions in two-dimensional vortices and planet-disk systems is thus made possible.

From Coasting to Energy-conserving: New Self-similar Solutions to the Interaction Phase of Strong Explosions

Astrophysical explosions that contain dense and ram-pressure-dominated ejecta evolve through an interaction phase, during which a forward shock (FS), contact discontinuity (CD), and reverse shock (RS) form and expand with time. We describe new self-similar solutions that apply to this phase and are most accurate in the limit that the ejecta density is large compared to the ambient density. These solutions predict that the FS, CD, and RS expand at different rates in time and not as single temporal power laws, are valid for explosions driven by steady winds and homologously expanding ejecta, and exist when the ambient density profile is a power law with a power-law index shallower than ∼3 (specifically when the FS does not accelerate). We find excellent agreement between the predictions of these solutions and hydrodynamical simulations, both for the temporal behavior of the discontinuities and for the variation of the fluid quantities. The self-similar solutions are applicable to a wide range of astrophysical phenomena and—although the details are described in future work—can be generalized to incorporate relativistic speeds with arbitrary Lorentz factors. We suggest that these solutions accurately interpolate between the initial “coasting” phase of the explosion and the later, energy-conserving phase (or, if the ejecta is homologous and the density profile is sufficiently steep, the self-similar phase described in R. A. Chevalier).

Enhancing orthogonal finishing machining of Ti6Al4V with laser-ablated tool geometry modifications

Finishing machining of Ti6Al4V, known for its high strength and heat conduction resistance, demands optimisation to achieve high-quality end products. This study explores modifying the chip contact length on the rake face and altering the flank face with a cavity to minimise process forces and temperatures while maintaining cutting edge integrity. The research validates the manufacturability of ultra-short pulsed laser-ablated tool geometry modifications, indicating potential for industrial scale-up. Extensive experimental evaluations under dry conditions assess the impact of tool modifications at various feed rates for planing and turning. Significant reductions in process forces and temperatures were observed with rake face modifications, particularly at a cavity distance of approximately 34 µm. Ideal performance was noted for feed rates between 0.035 and 0.045 mm for planing and 0.040 to 0.045 mm/rev for turning. Smoothed Particle Hydrodynamics (SPH) simulations employing a Johnson-Cook material model were used to analyse chip formation and to predict the process forces. These simulations revealed a clear change in the chip formation and lower process forces and temperatures. The SPH results closely matched experimental outcomes, with a discrepancy of less than 7 % in cutting forces for both tool types, although feed forces were underestimated by about 50 %. The effect of the tool modification is reflected accurately at the respective feeds.

Real Case Study of 600 m3 Bubble Column Fermentations: Spatially Resolved Simulations Unveil Optimization Potentials for l-Phenylalanine Production With Escherichia coli.

Large-scale fermentations (»100 m³) often encounter concentration gradients which may significantly affect microbial activities and production performance. Reliably investigating such scenarios in silico would allow to optimize bioproduction. But related simulations are very rare in particular for large bubble columns. Here, we pioneer the spatially resolved investigation of a 600 m³ bubble column operating for Escherichia coli based l-phenylalanine fed-batch production. Microbial kinetics are derived from experimental data. Advanced Euler-Lagrange (EL) computational fluid dynamics (CFD) simulations are applied to track individual bubble dynamics that result from a recently developed bubble breakage model. Thereon, the complex nonlinear characteristics of hydrodynamics, mass transfer, and microbial activities are simulated for large scale and compared with real data. As a key characteristic, zones for upriser, downcomer, and circulation cells were identified that dominate mixing and mass transfer. This results in complex gradients of glucose, dissolved oxygen, and microbial rates dividing the bioreactor into sections. Consequently, alternate feed designs are evaluated splitting real feed rates in two feeds at different locations. The opposite reversed installation of feed spots and spargers improved the product synthesis by 6.24% while alternate scenarios increased the growth rate by 11.05%. The results demonstrate how sophisticated, spatially resolved simulations of hydrodynamics, mass transfer, and microbial kinetics help to optimize bioreactors in silico.