Hypersonic flow over Stardust Re-entry Capsule using ab-initio based chemical reaction model

Results of numerical simulations of high-altitude aerothermodynamics of the EXPERT reentry capsule along its descent trajectory are presented. Aerodynamic characteristics for different angles of attack and rolling of the capsule at altitude of 150 down to 20 km are studied. An engineering local bridging method is used in computations. The uncertainty of the engineering method in the transitional regime is determined by comparisons with results obtained by DSMC simulations. I. Introduction During disorbiting, the spacecraft experiences the influence of the atmosphere with significantly varying parameters. To estimate the aerodynamic loads and to predict the landing area, one should know, already at the stage of design, the coefficients of aerodynamic forces and moments of the spacecraft for varying temperature, density, flight velocity, and angles of attack and sideslip for numerous possible descent trajectories. Thousands of various variants have to be computed. At the beginning of descent, at high altitudes where the gas is strongly rarefied, numerical simulations do not involve many difficulties, because theoretical approaches have been developed for simple shapes and the Test Particle Monte Carlo method can be readily used for more complicated shapes. On the other hand, various engineering approaches have been developed for calculating aerodynamic characteristics of various bodies at the final segment of the descent trajectory, in the continuum regime, which are fairly effective. The main problem is the analysis of spacecraft aerodynamics in the transitional regimes between the free-molecular and continuum regimes. The Navier-Stokes equations yield, strictly speaking, incorrect results in the transitional regime and require special modifications for taking into account flow slipping. The Direct Simulation Monte Carlo (DSMC) method provides rather accurate values of aerodynamic characteristics with allowance for physical and chemical processes but requires large amounts of computer memory and performance. Application of the software based on the DSMC method is unreasonably expensive at the initial stage of spacecraft design and trajectory analysis. A possible solution of this problem is the approximate engineering methods. These methods allow calculating aerodynamic characteristics of bodies of arbitrary geometry for multiple variants of free-stream parameters within a reasonable time and then to refine the results at the most important segments of the flight trajectory by the DSMC method. The use of fast approximate engineering methods is the most acceptable approach to solving problems of spacecraft aerodynamics at the stage of conceptual design. The present paper describes the computations of aerodynamics of the EXPERT capsule by an engineering local bridging method at altitudes of 150 down to 20 km with flow parameters corresponding to the expected descent trajectory. The results in the transitional regime are refined by the DSMC method. The errors of the engineering method are studied in detail, and the contribution of various elements of the EXPERT capsule to aerodynamic characteristics is analyzed. II. EXPERT geometry The KHEOPS configuration (Fig. 1) is a blunted pyramidal shape featuring four flaps. The computational model was constructed by the RuSat software system. The total number of panels is approximately 36 thousand. The nose is made in the form of an ellipse with a misalignment of 0.9165. The local radius of the nose part is 0.6 m. The ellipse-cone junction is described by a clothoid. The conical body has a cone angle of 12.5°. The cone is truncated by planes at an angle of 8.35° to the axis of symmetry. Four control flaps are deflected by 20 °.

Recently, as aerodynamics was applied to flying vehicles with very high speed and flying at high altitude, the numerical simulation based on the Navier–Stokes (NS) equations was found that cannot correctly predict certain aero-thermo-dynamic properties in a certain range of velocity and altitude while the Knudsen number indicates that the flow is still in the continuum regime. As first noted by Zhou and Zhang (Science in China, 2015), the invalidity of NS equations for such flows might be attributed to an non-equilibrium effect originating from the combined effects of gas rarefaction and strong shear in the boundary-layer flows. In this paper, we present the scope, physical concept, mathematical model of this shear non-equilibrium effect in hypersonic flows, as well as the way of considering this effect in conventional computational fluid mechanics (CFD) for engineering applications. Several hypersonic flows over sharp bodies and blunt bodies are analyzed by the proposed new continuum model, named direct simulation Monte Carlo (DSMC) data-improved Navier–Stokes (DiNS) model. Recently, as aerodynamics was applied to flying vehicles with very high speed and flying at high altitude, the numerical simulation based on the Navier–Stokes (NS) equations was found that cannot correctly predict certain aero-thermo-dynamic properties in a certain range of velocity and altitude while the Knudsen number indicates that the flow is still in the continuum regime. As first noted by Zhou and Zhang (Science in China, 2015), the invalidity of NS equations for such flows might be attributed to an non-equilibrium effect originating from the combined effects of gas rarefaction and strong shear in the boundary-layer flows. In this paper, we present the scope, physical concept, mathematical model of this shear non-equilibrium effect in hypersonic flows, as well as the way of considering this effect in conventional computational fluid mechanics (CFD) for engineering applications. Several hypersonic flows over sharp bodies and blunt bodies are analyzed by the proposed new continuum model, named direct simulation Monte Carlo (DSMC) data-improved Navier–Stokes (DiNS) model..

The direct simulation Monte Carlo (DSMC) method is widely used to describe rarefied gas flows. The DSMC method accounts for the transport and collisions of computational particles, resulting in higher computational costs in the continuum regime. The Fokker–Planck (FP) model approximates particle collisions as Brownian motion to reduce computational cost. Advanced FP models have been developed to enhance physical fidelity, ensuring the correct Prandtl number and the H-theorem. The FP model has further been extended to handle diatomic gases, such as the Fokker–Planck–Master (FPM) model. Alongside these developments in modeling, computational efficiency has also been improved by achieving second-order spatial and temporal accuracy, as demonstrated in the unified stochastic particle FP (USP-FP) method. However, these accuracy improvements have not yet been extended to diatomic gases, which are essential for engineering applications such as atmospheric reentry. This study proposes a unified stochastic particle Fokker–Planck–Master (USP-FPM) method for diatomic gases that achieves second-order accuracy in both time and space. Temporal accuracy is enhanced by reproducing second-order energy, viscous stress, and heat flux relaxations. Spatial accuracy is improved by employing a first-order polynomial reconstruction method. Three test cases are investigated: homogeneous relaxation, Poiseuille flow, and hypersonic flow around a cylinder. The results show that the USP-FPM method provides accurate solutions even with coarser cell sizes and larger time steps compared to the DSMC and FPM methods. In particular, for the hypersonic flow around a cylinder, the USP-FPM method achieves a speed-up factor of 28 compared to the DSMC method, while maintaining accuracy.

The direct simulation Monte Carlo (DSMC) method is used to solve the three-dimensional nano-scale gas film lubrication problem between a gas bearing slider and a rotating disk, and this solution is compared to the numerical solution of the compressible Reynolds equations with the slip flow correction based on the linearized Boltzmann equation as presented by Fukui and Kaneko [molecular gas film lubrication (MGL) method] [ASME J. Tribol. 110, 253 (1988)]. In the DSMC method, hundreds of thousands of simulated particles are used and their three velocity components and three spatial coordinates are calculated and recorded by using a hard-sphere collision model. Two-dimensional pressure profiles are obtained across the film thickness direction. The results obtained from the two methods agree well with each other for Knudsen numbers as large as 35 which corresponds to a minimum spacing of 2 nm. The result for contact slider is also obtained by the DSMC simulation and presented in this paper.

The Boltzmann equation is the governing equation for rarefied gas dynamics, which is relevant to the aerodynamic design of rarefied hypersonic vehicles. Direct solution of the Boltzmann equation for realistic gas flows using either analytic or computational techniques is almost impossible. However, the Direct Simulation Monte Carlo (DSMC) method has been developed to provide realistic solutions for rarefied gas flows. Bird formally introduced this method hi 1969, and ever since several arguments have developed as to whether the DSMC method provides solutions of the Boltzmann equation. This paper demonstrates that the Boltzmann equation and the DSMC method have a common origin which rests on the fundamental tenets of kinetic theory. These fundamental tenets are mathematically condensed into the Boltzmann equation. On the other hand, the DSMC method is a numerical implementation of these same fundamental tenets. Thus, the Boltzmann equation and the DSMC method express the same idea but use a different language. The Boltzmann equation uses the language of mathematics whereas the DSMC method uses the language of physics. It is explained how both approaches are related and it is concluded that the DSMC method does indeed provide solutions of the Boltzmann equation. It is also shown that both approaches can be easily extended to a wider range of problems than the literature has recognised (such as to high-density gases and liquids). One important issue is how to set the range of the molecular potential used in deflection angle formulae. It is shown that, contrary to traditional expectations, within a macroscopic volume the range of the potential is always finite. Finally, the thorny issue of molecular chaos is examined and it is concluded that it is not as limiting as commonly feared.

This paper demonstrates the newly developed particle method in the Direct Simulation Monte Carlo (DSMC) framework, and we refer to it as the Maxwellian–DSMC (M–DSMC) method. The M–DSMC solver is utilized for various fluid flow problems with different length scales varied from continuum to transitional regime. The hypersonic flow of argon over a cylinder simulation is carried out using M–DSMC and the same simulation results are compared with the regular DSMC method. The present work shows that the M–DSMC results are quite a good match with the DSMC results. The computational cost is significantly reduced by using M–DSMC method and the same is compared with regular DSMC method.

The Direct Simulation Monte Carlo (DSMC) method was widely used to simulate low density gas flows with large Knudsen numbers. However, DSMC encounters limitations in the regime of lower Knudsen numbers (Kn<0.05). In such cases, approaches from classical computational fluid dynamics (CFD) relying on the continuum assumption are preferred, offering accurate solutions at acceptable computational costs. In experiments aimed at imaging aerosolized nanoparticles in vacuo a wide range of Knudsen numbers occur, which motivated the present study on the analysis of the advantages and drawbacks of DSMC and CFD simulations of rarefied flows in terms of accuracy and computational effort. Furthermore, the potential of hybrid methods is evaluated. For this purpose, DSMC and CFD simulations of the flow inside a convergent–divergent nozzle (internal expanding flow) and the flow around a conical body (external shock generating flow) were carried out. CFD simulations utilize the software OpenFOAM and the DSMC solution is obtained using the software SPARTA. The results of these simulation techniques are evaluated by comparing them with experimental data (1), evaluating the time-to-solution (2) and the energy consumption (3), and assessing the feasibility of hybrid CFD-DSMC approaches (4).

The Bhatnagar-Gross-Krook (BGK) model and its extensions (ellipsoidal statistical BGK, Shakhov BGK, and unified BGK) are used in particle-based fluid dynamics and compared with the Direct Simulation Monte Carlo (DSMC) method. To this end, different methods are investigated that allow efficient sampling of the Shakhov and the unified target distribution functions. As a consequence, particle simulations based on the Shakhov BGK and unified BGK models are possible in an efficient way. Furthermore, different energy conservation schemes are tested for the BGK models. It is shown that the choice of the energy conservation scheme has a major impact on the quality of the results for each model. The models are verified with a Couette flow problem at different Knudsen numbers and wall velocities. Furthermore, the models are compared with the DSMC results of a hypersonic flow around a 70° blunted cone. It is shown that the unified BGK model is able to reproduce rarefied gas phenomena. Furthermore, it is shown that the difference in the reproduction of the shock structure is not significant between the ellipsoidal statistical BGK and Shakhov BGK models for the flow around a 70° blunted cone and significantly depends on the energy conservation method. The choice of the energy conservation method is especially crucial for the Shakhov model whereas the ellipsoidal statistical BGK model is much more robust concerning the energy conservation scheme. Additionally, a computational time study is performed to show the efficiency of BGK-based simulations for low Knudsen number flows compared with DSMC.

The implementation of an adaptive mesh‐embedding (h‐refinement) scheme using unstructured grid in two‐dimensional direct simulation Monte Carlo (DSMC) method is reported. In this technique, local isotropic refinement is used to introduce new mesh where the local cell Knudsen number is less than some preset value. This simple scheme, however, has several severe consequences affecting the performance of the DSMC method. Thus, we have applied a technique to remove the hanging node, by introducing the an‐isotropic refinement in the interfacial cells between refined and non‐refined cells. Not only does this remedy increase a negligible amount of work, but it also removes all the difficulties presented in the originals scheme. We have tested the proposed scheme for argon gas in a high‐speed driven cavity flow. The results show an improved flow resolution as compared with that of un‐adaptive mesh. Finally, we have used triangular adaptive mesh to compute a near‐continuum gas flow, a hypersonic flow over a cylinder. The results show fairly good agreement with previous studies. In summary, the proposed simple mesh adaptation is very useful in computing rarefied gas flows, which involve both complicated geometry and highly non‐uniform density variations throughout the flow field. Copyright © 2002 John Wiley &amp; Sons, Ltd.

Views Icon Views Article contents Figures & tables Video Audio Supplementary Data Peer Review Share Icon Share Twitter Facebook Reddit LinkedIn Tools Icon Tools Reprints and Permissions Cite Icon Cite Search Site Citation Yazhong Jiang, Zhenxun Gao, Chongwen Jiang, Chunhian Lee; Error estimation for CFD aeroheating prediction under rarefied flow condition. AIP Conf. Proc. 9 December 2014; 1628 (1): 318–323. https://doi.org/10.1063/1.4902609 Download citation file: Ris (Zotero) Reference Manager EasyBib Bookends Mendeley Papers EndNote RefWorks BibTex toolbar search Search Dropdown Menu toolbar search search input Search input auto suggest filter your search All ContentAIP Publishing PortfolioAIP Conference Proceedings Search Advanced Search |Citation Search

Phenomenological models, such as Park’s widely used two temperature model, overpredict the reaction rate coefficients at vibrationally cold conditions and underpredict it at vibrationally hot conditions. To this end, two new chemical reaction models, the nonequilibrium total temperature (NETT) and nonequilibrium piecewise interpolation models for the continuum framework are presented. The focus is on matching the reaction rate coefficients calculated using a quasiclassical trajectory based dissociation cross section database. The NETT model is an intuitive model based on physical understanding of the reaction at a molecular level. A new nonequilibrium parameter and the use of total temperature in the exponential term of the Arrhenius fit ensure the NETT model has a simple and straightforward implementation. The efficacy of the new model was investigated for several equilibrium and nonequilibrium conditions in the form of heat bath simulations. Additionally, two-dimensional hypersonic flows around a flat blunt-body were simulated by employing various chemical reaction models to validate the new models using experimental shock tube data. Park’s two temperature model predicted higher dissociation rates and a higher degree of dissociation leading to lower peak vibrational temperatures compared to those predicted by the new nonequilibrium models. Overall, the present work demonstrates that the new nonequilibrium models perform better than Park’s two temperature model, especially in simulations with a high degree of nonequilibrium, particularly as observed in re-entry flows.

Enceladus, a moon of Saturn, is of great astrobiological interest due to Cassini mission discoveries [1–5]. Its southern polar region features "Tiger Stripes"—fractures that vent water vapor, gases, and particles, including molecular hydrogen (H₂), which likely originates from hydrothermal activity [5]. The intermittent presence of H₂ raises questions about plume dynamics and the subsurface environment. Models suggest that the ejection of gases and particles is influenced by the geometry of the conduits beneath the icy shell [1]. Recent studies propose volatile-driven eruptions, constrained by plume observations, that shed light on cryovolcanic processes [6]. Yet, the mechanisms of hydrogen transport and the chemical properties of the subsurface ocean remain unresolved.This study investigates interactions between condensable (H₂O) and non-condensable (H₂) gases under varying subsurface conditions. Using the Direct Simulation Monte Carlo (DSMC) method, we model gas flow originating in a cavern, moving through a conduit, and expanding into vacuum.To capture the complex flow regimes of Enceladus’ plumes, we use the DSMC method [7], which accurately simulates particle interactions and non-equilibrium effects across transitions from near-continuum to free-molecular flows. DSMC represents real gas molecules through computational particles, allowing detailed tracking of pressure gradients, thermal nonequilibrium, and energy exchange. We use the PLANET DSMC code [8–13] to simulate the flows.The subsurface model assumes a "misty cavern" at the gas-liquid interface where H₂O vapor forms via sublimation and evaporation, while H₂ is added to reproduce the 99:1 H₂O:H₂ mass ratio seen by Cassini at the vent. The model geometry applies cylindrical symmetry and includes specified boundary conditions at the cavern and conduit walls. Simulation parameters such as cell size, time step, and convergence criteria are tightly controlled.Next, we analyze how steady-state plume dynamics respond to changes in several parameters: conduit radius, depth above a constriction, temperature profile along the walls, H₂ inflow flux, and reservoir size. Variations in vent radius and wall temperature, in particular, have a notable impact on the resulting gas composition and distribution at the surface vent. These findings help constrain the physical characteristics of Enceladus’ subsurface vents and support the hypothesis that even very small concentrations of H₂ plays a role in sustaining long-term vent activity. A key finding is that flow through high aspect ratio conduits can lead to very large build ups of hydrogen in the underground reservoir.

The role of attractive-repulsive interactions in direct simulation Monte Carlo (DSMC) simulations is studied by comparing with traditional purely repulsive interactions. The larger collision cross section of the long-range LJ potential is shown to result in a higher collision frequency and hence a lower mean free path, by at least a factor of two, for given conditions. This results in a faster relaxation to equilibrium as is shown by comparing the fourth and sixth moments of the molecular velocity distribution obtained using 0-D DSMC simulations. A 1-D Fourier-Couette flow with a large temperature and velocity difference between the walls is used to show that matching transport properties will result in identical solutions using both LJPA and VSS models in the near-continuum regime. However, flows in the transitional regime with Knudsen number, Kn ∼ 0.5 show a dependence on the intermolecular potential in spite of matching the viscosity coefficient due to differences in the collision frequency. Attractive-repulsive potentials should be used when both transport coefficients and collision frequencies should be matched.

A predefined computational particle weight algorithm is presented, and the new method is only depend on free stream number density, free stream mean free path, cell volume and a manual adjusTABLE parameter, which all can be determined before starting the direct simulation Monte Carlo (DSMC) simulation. The particles distribution of flow field around flat plate and blunt cone is analyzed. The results show that the number of simulated particles is distributed more uniformly in the whole flow field predicted by present particle weight method than that predicted by constant particle weight method. Simulated molecules can be also reduced effectively without causing any accuracy loss.

Following seminal studies such as Muñoz’s 2007 work on HD 209458b, which simulated heavy element escape beyond the Roche lobe, one-dimensional hydrocodes have flourished, routinely solving the Euler equations to model transonic outflows across an increasingly diverse population of exoplanets. However, the modelling frontier of escape is often shaped by the hand-off from continuum to rarefied flow (Kn ≳ 0.1) and non-equilibrium processes. Molecular-kinetic techniques, long the workhorse of Solar-System aeronomy, naturally bridge this gap, providing a self-consistent description of collisional, transitional and free-molecular regimes in a single framework. Here we make the case for a concerted push toward large-scale molecular-kinetic simulations of exoplanet outflows, highlighting two end-member scenarios along the escape spectrum where forthcoming observations may allow the theory to be tested and refined.Cosmic Shoreline. Characterising the transition from Jeans (particle-by-particle) escape to subsonic and ultimately transonic bulk outflow remains an open problem in escape theory. The onset of rapid escape (~1 bar Myr⁻¹) as ionising irradiation increases is a key parameter defining the phase boundary between airless and airy rocky worlds—the “Cosmic Shoreline” (Zahnle &amp; Catling 2017; Ji et al. 2025). Johnson et al. (2013) combined an analytic treatment with Direct Simulation Monte Carlo (DSMC; Bird 1994) to derive a critical heating rate for triggering transonic flow, working with the ansatz that the scaling of this transition extends smoothly from Pluto- to Earth-sized bodies. We will present new DSMC simulations that probe this transition for high-molecular-weight atmospheres on Earth-mass and super-Earth planets, refining the dynamics of rapid escape across this regime.Helium triplet and fractionation. Fractionation may help explain some of the non-detections of the neutral-helium triplet (1083 nm) in giant-planet outflows (Schulik &amp; Owen 2024). Multi-fluid hydrodynamics simulations have found that the neutral helium can actually be accelerated by gravity to accrete out of the flow at a downward velocity of ~1 km s⁻¹ (Xing et al. 2023; Schulik &amp; Owen 2024). We note that the ratio of the slip velocity to the thermal speed of the outflow scales with the Knudsen number for collisionality, ΔU/ Vth~ KnHe . Thus, we will discuss how a significant slip velocity may require Kn ≳ 0.1, a regime in which the fractionation process may be better described with molecular-kinetics, possibly with implications for predictions of the transit depth of the helium triplet.Moreover, the Direct Simulation Monte Carlo (DSMC) method offers some desirable properties over hydrocodes: it scales naturally to fully three-dimensional geometries, albeit at significant computational cost, and naturally treats non-equilibrium phenomena such as photoelectron heating and excited-state populations.