Pub Date : 2024-07-18DOI: 10.1016/j.compfluid.2024.106369
Two quantum algorithms are presented for the numerical solution of a linear one-dimensional advection–diffusion equation with periodic boundary conditions. Their accuracy and performance with increasing qubit number are compared point-by-point with each other. Specifically, we solve the linear partial differential equation with a Quantum Linear Systems Algorithm (QLSA) based on the Harrow–Hassidim–Lloyd method and a Variational Quantum Algorithm (VQA), for resolutions that can be encoded using up to 6 qubits, which corresponds to grid points on the unit interval. Both algorithms are hybrid in nature, i.e., they involve a combination of classical and quantum computing building blocks. The QLSA and VQA are solved as ideal statevector simulations using the in-house solver QFlowS and open-access Qiskit software, respectively. We discuss several aspects of both algorithms which are crucial for a successful performance in both cases. These are the accurate eigenvalue estimation with the quantum phase estimation for the QLSA and the choice of the algorithm of the minimization of the cost function for the VQA. The latter algorithm is also implemented in the noisy Qiskit framework including measurement noise. We reflect on the current limitations and suggest some possible routes of future research for the numerical simulation of classical fluid flows on a quantum computer.
{"title":"Two quantum algorithms for solving the one-dimensional advection–diffusion equation","authors":"","doi":"10.1016/j.compfluid.2024.106369","DOIUrl":"10.1016/j.compfluid.2024.106369","url":null,"abstract":"<div><p>Two quantum algorithms are presented for the numerical solution of a linear one-dimensional advection–diffusion equation with periodic boundary conditions. Their accuracy and performance with increasing qubit number are compared point-by-point with each other. Specifically, we solve the linear partial differential equation with a Quantum Linear Systems Algorithm (QLSA) based on the Harrow–Hassidim–Lloyd method and a Variational Quantum Algorithm (VQA), for resolutions that can be encoded using up to 6 qubits, which corresponds to <span><math><mrow><mi>N</mi><mo>=</mo><mn>64</mn></mrow></math></span> grid points on the unit interval. Both algorithms are hybrid in nature, i.e., they involve a combination of classical and quantum computing building blocks. The QLSA and VQA are solved as ideal statevector simulations using the in-house solver QFlowS and open-access Qiskit software, respectively. We discuss several aspects of both algorithms which are crucial for a successful performance in both cases. These are the accurate eigenvalue estimation with the quantum phase estimation for the QLSA and the choice of the algorithm of the minimization of the cost function for the VQA. The latter algorithm is also implemented in the noisy Qiskit framework including measurement noise. We reflect on the current limitations and suggest some possible routes of future research for the numerical simulation of classical fluid flows on a quantum computer.</p></div>","PeriodicalId":287,"journal":{"name":"Computers & Fluids","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0045793024002019/pdfft?md5=33d0c599592af889ca32afc28167dd15&pid=1-s2.0-S0045793024002019-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141954294","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-18DOI: 10.1016/j.compfluid.2024.106374
Recently, the general synthetic iterative scheme (GSIS) has been proposed to find the steady-state solution of the Boltzmann equation in the whole range of gas rarefaction, where its fast-converging and asymptotic-preserving properties lead to the significant reduction of iteration numbers and spatial cells in the near-continuum flow regime. However, the efficiency and accuracy of GSIS have only been demonstrated in two-dimensional problems with small numbers of spatial cells and discrete velocities. Here, a large-scale parallel computing strategy is designed to extend the GSIS to three-dimensional flow problems, including the supersonic flows which are usually difficult to solve by the discrete velocity method. Since the GSIS involves the calculation of the mesoscopic kinetic equation which is defined in six-dimensional phase-space, and the macroscopic high-temperature Navier–Stokes–Fourier equations in three-dimensional physical space, the proper partition of the spatial and velocity spaces, and the allocation of CPU cores to the mesoscopic and macroscopic solvers, are the keys to improving the overall computational efficiency. These factors are systematically tested to achieve optimal performance, up to 100 billion spatial and velocity grids. For hypersonic flows around the Apollo reentry capsule, the X38-like vehicle, and the space station, our parallel solver can obtain the converged solution within one hour.
{"title":"Efficient parallel solver for rarefied gas flow using GSIS","authors":"","doi":"10.1016/j.compfluid.2024.106374","DOIUrl":"10.1016/j.compfluid.2024.106374","url":null,"abstract":"<div><p>Recently, the general synthetic iterative scheme (GSIS) has been proposed to find the steady-state solution of the Boltzmann equation in the whole range of gas rarefaction, where its fast-converging and asymptotic-preserving properties lead to the significant reduction of iteration numbers and spatial cells in the near-continuum flow regime. However, the efficiency and accuracy of GSIS have only been demonstrated in two-dimensional problems with small numbers of spatial cells and discrete velocities. Here, a large-scale parallel computing strategy is designed to extend the GSIS to three-dimensional flow problems, including the supersonic flows which are usually difficult to solve by the discrete velocity method. Since the GSIS involves the calculation of the mesoscopic kinetic equation which is defined in six-dimensional phase-space, and the macroscopic high-temperature Navier–Stokes–Fourier equations in three-dimensional physical space, the proper partition of the spatial and velocity spaces, and the allocation of CPU cores to the mesoscopic and macroscopic solvers, are the keys to improving the overall computational efficiency. These factors are systematically tested to achieve optimal performance, up to 100 billion spatial and velocity grids. For hypersonic flows around the Apollo reentry capsule, the X38-like vehicle, and the space station, our parallel solver can obtain the converged solution within one hour.</p></div>","PeriodicalId":287,"journal":{"name":"Computers & Fluids","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141943847","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-15DOI: 10.1016/j.compfluid.2024.106367
Immersed boundary method (IBM) is widely used for simulating flow in complex geometries using structured grids. However, this entails a disadvantage when simulating internal flows through curved and bent tubes. The presence of grids outside the fluid domain leads to the wastage of memory and computational overheads. Here, we propose a multi-block-multi-mesh framework to capture the complex geometry using multiple grid blocks fitted close to the body, reducing excess grids. This also has the advantage of using different and non-uniform grid spacing in different blocks. The reduction of the grid enables encompassing bigger caseloads on a single GPU. The solver is accelerated on GPU using OpenACC, compared to sequential CPU simulations, and speedup is presented. The speedup obtained is comparable to that of large multicore systems. The framework is extensively validated for straight artery with axisymmetric stenosis and bileaflet mechanical heart valve with axisymmetric sinus. This framework then models complex arterial flows like stenosed aorta, patient-specific branched aorta, bileaflet mechanical heart valve with Valsalva sinus and aorta, and lastly, patient-specific iliac aortic aneurysm. This framework achieves a significant reduction in GPU memory requirement for complex arterial models, enabling us to perform direct numerical simulation (DNS) of the stenosed aorta and mechanical heart valve cases in a single GPU.
{"title":"GPU optimized multi-block-multi-mesh immersed boundary method for flows in complex arterial models","authors":"","doi":"10.1016/j.compfluid.2024.106367","DOIUrl":"10.1016/j.compfluid.2024.106367","url":null,"abstract":"<div><p>Immersed boundary method (IBM) is widely used for simulating flow in complex geometries using structured grids. However, this entails a disadvantage when simulating internal flows through curved and bent tubes. The presence of grids outside the fluid domain leads to the wastage of memory and computational overheads. Here, we propose a multi-block-multi-mesh framework to capture the complex geometry using multiple grid blocks fitted close to the body, reducing excess grids. This also has the advantage of using different and non-uniform grid spacing in different blocks. The reduction of the grid enables encompassing bigger caseloads on a single GPU. The solver is accelerated on GPU using OpenACC, compared to sequential CPU simulations, and speedup is presented. The speedup obtained is comparable to that of large multicore systems. The framework is extensively validated for straight artery with axisymmetric stenosis and bileaflet mechanical heart valve with axisymmetric sinus. This framework then models complex arterial flows like stenosed aorta, patient-specific branched aorta, bileaflet mechanical heart valve with Valsalva sinus and aorta, and lastly, patient-specific iliac aortic aneurysm. This framework achieves a significant reduction in GPU memory requirement for complex arterial models, enabling us to perform direct numerical simulation (DNS) of the stenosed aorta and mechanical heart valve cases in a single GPU.</p></div>","PeriodicalId":287,"journal":{"name":"Computers & Fluids","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141716454","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-15DOI: 10.1016/j.compfluid.2024.106370
We propose third-order A-WENO finite difference schemes that are based on the recently introduced first-order numerical schemes in [N. K. Garg et al., Journal of Computational Physics, 407(2020)] for the systems of compressible Euler equations of gas dynamics. The convective components of these schemes (fluxes), both in one- and multi-dimensions, are free from complicated Riemann solvers. Third-order characteristic-wise WENO-Z interpolations are employed to obtain the third-order point values required for the numerical fluxes. To demonstrate the robustness and accuracy of the resulting schemes, we compare the numerical results with local Lax–Friedrichs (LLF) and Harten–Lax–van Leer (HLL) fluxes on various one- and two-dimensional examples. The obtained results outperform LLF and HLL fluxes in terms of enhancing the resolution of contact waves, especially near isolated steady and moving contact discontinuities, as well as in accurately resolving high-frequency waves in one dimension (1-D) and the small-scale structures in two dimensions (2-D).
{"title":"Third-order numerical scheme for Euler equations of gas dynamics using Jordan canonical based splitting flux","authors":"","doi":"10.1016/j.compfluid.2024.106370","DOIUrl":"10.1016/j.compfluid.2024.106370","url":null,"abstract":"<div><p>We propose third-order A-WENO finite difference schemes that are based on the recently introduced first-order numerical schemes in [N. K. Garg et al., Journal of Computational Physics, 407(2020)] for the systems of compressible Euler equations of gas dynamics. The convective components of these schemes (fluxes), both in one- and multi-dimensions, are free from complicated Riemann solvers. Third-order characteristic-wise WENO-Z interpolations are employed to obtain the third-order point values required for the numerical fluxes. To demonstrate the robustness and accuracy of the resulting schemes, we compare the numerical results with local Lax–Friedrichs (LLF) and Harten–Lax–van Leer (HLL) fluxes on various one- and two-dimensional examples. The obtained results outperform LLF and HLL fluxes in terms of enhancing the resolution of contact waves, especially near isolated steady and moving contact discontinuities, as well as in accurately resolving high-frequency waves in one dimension (1-D) and the small-scale structures in two dimensions (2-D).</p></div>","PeriodicalId":287,"journal":{"name":"Computers & Fluids","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141712072","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-11DOI: 10.1016/j.compfluid.2024.106364
An artificial compressibility approach is proposed to compute the solution of the compressible equations in the low Mach number limit, in closed domain with moving boundaries. The low Mach number stiffness is reduced by introducing an artificial sound speed, much lower than the physical one. This allows to avoid both the acoustic time step restriction and the loss of accuracy of classical compressible solvers, without solving a Poisson equation for the pressure or using the time-implicit discretization of the Turkel-type preconditioning technique. Moreover the proposed formulation involves the conservative variables plus the dynamic pressure, which facilitates the implementation of the approach in classical CFD codes for compressible flows. The numerical experiments presented show that the approach is both accurate and CPU efficient.
{"title":"An artificial compressibility approach to solve low Mach number flows in closed domains","authors":"","doi":"10.1016/j.compfluid.2024.106364","DOIUrl":"10.1016/j.compfluid.2024.106364","url":null,"abstract":"<div><p>An artificial compressibility approach is proposed to compute the solution of the compressible equations in the low Mach number limit, in closed domain with moving boundaries. The low Mach number stiffness is reduced by introducing an artificial sound speed, much lower than the physical one. This allows to avoid both the acoustic time step restriction and the loss of accuracy of classical compressible solvers, without solving a Poisson equation for the pressure or using the time-implicit discretization of the Turkel-type preconditioning technique. Moreover the proposed formulation involves the conservative variables plus the dynamic pressure, which facilitates the implementation of the approach in classical CFD codes for compressible flows. The numerical experiments presented show that the approach is both accurate and CPU efficient.</p></div>","PeriodicalId":287,"journal":{"name":"Computers & Fluids","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0045793024001968/pdfft?md5=3c1e8f8f18e0eb1776c399c9dc23ba2d&pid=1-s2.0-S0045793024001968-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141629805","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-11DOI: 10.1016/j.compfluid.2024.106365
It is attempted earnestly to elucidate the mechanism of collision and drainage of liquid mass around the spherical substrate suspended within the hollow cylinder using Gerris open-source code by employing Volume of Fluid (VOF) methodology. Various influencing parameters, namely, sphere-to-droplet diameter ratio , Weber number, Ohnesorge number , and Bond number are employed to observe the drainage mechanism through the constricted path. The pattern of the interfacial morphology of droplet collision and drainage mechanism is presented using numerical contours. It is important to mention herein that the droplet undergoes several important stages like collision, cap formation, engulfment, drainage, and pinch-off. The passage between the sphere and the cylinder is sufficiently wider at a lower value of due to which the liquid mass is drained out completely without any hindrance. The drainage process becomes considerably faster at a higher compared to a lower . In addition, the flow of liquid mass through the passage gets delayed at a greater than a lower assuming a given value of and . The liquid drop requires less time to pass through the constricted path at lower for a given value of and . We have also attempted to quantify the drainage of liquid volume passes through the passage, which is denoted as . One can notice the increasing pattern of with continuous progress of time stamp for all cases of
本研究采用流体体积(VOF)方法,使用 Gerris 开源代码,认真尝试阐明悬浮在空心圆柱体内的球形基质周围的液块碰撞和排水机制。采用各种影响参数,即球体与液滴直径比 (Ds/Do)、韦伯数 (We)、奥内索格数 (Oh) 和邦德数 (Bo),来观察通过收缩路径的排水机制。液滴碰撞和排水机制的界面形态是通过数值等值线呈现的。在此有必要提及液滴经历的几个重要阶段,如碰撞、帽形成、吞噬、排水和夹断。当 Ds/Do 值较低时,球体和圆柱体之间的通道足够宽,因此液滴可以毫无阻碍地完全排出。与较低的 We 值相比,较高的 We 值下的排液过程要快得多。此外,在给定 We 和 Ds/Do 值的情况下,Oh 越大,液流通过通道的时间越短。在给定 Ds/Do 和 We 值的情况下,当 Bo 值较低时,液滴通过收缩路径所需的时间较短。我们还尝试量化通过通道的液体体积排水量,即(Q*=Q/Qo)。我们可以注意到,在 We 值固定的情况下,在所有 Ds/Do 条件下,Q/Qo 都会随着时间戳的推移而增加。
{"title":"Mechanism of collision and drainage of liquid droplet around sphere placed within a hollow cylinder","authors":"","doi":"10.1016/j.compfluid.2024.106365","DOIUrl":"10.1016/j.compfluid.2024.106365","url":null,"abstract":"<div><p>It is attempted earnestly to elucidate the mechanism of collision and drainage of liquid mass around the spherical substrate suspended within the hollow cylinder using Gerris open-source code by employing Volume of Fluid (VOF) methodology. Various influencing parameters, namely, sphere-to-droplet diameter ratio <span><math><mrow><mo>(</mo><mrow><msub><mi>D</mi><mi>s</mi></msub><mo>/</mo><msub><mi>D</mi><mi>o</mi></msub></mrow><mo>)</mo></mrow></math></span>, Weber number<span><math><mrow><mspace></mspace><mo>(</mo><mrow><mi>W</mi><mi>e</mi></mrow><mo>)</mo></mrow></math></span>, Ohnesorge number <span><math><mrow><mo>(</mo><mrow><mi>O</mi><mi>h</mi></mrow><mo>)</mo></mrow></math></span>, and Bond number<span><math><mrow><mo>(</mo><mrow><mi>B</mi><mi>o</mi></mrow><mo>)</mo></mrow></math></span> are employed to observe the drainage mechanism through the constricted path. The pattern of the interfacial morphology of droplet collision and drainage mechanism is presented using numerical contours. It is important to mention herein that the droplet undergoes several important stages like collision, cap formation, engulfment, drainage, and pinch-off. The passage between the sphere and the cylinder is sufficiently wider at a lower value of <span><math><mrow><msub><mi>D</mi><mi>s</mi></msub><mo>/</mo><msub><mi>D</mi><mi>o</mi></msub></mrow></math></span> due to which the liquid mass is drained out completely without any hindrance. The drainage process becomes considerably faster at a higher <span><math><mrow><mi>W</mi><mi>e</mi></mrow></math></span> compared to a lower <span><math><mrow><mi>W</mi><mi>e</mi></mrow></math></span>. In addition, the flow of liquid mass through the passage gets delayed at a greater <span><math><mrow><mi>O</mi><mi>h</mi></mrow></math></span> than a lower <span><math><mrow><mi>O</mi><mi>h</mi></mrow></math></span> assuming a given value of <span><math><mrow><mi>W</mi><mi>e</mi></mrow></math></span> and <span><math><mrow><msub><mi>D</mi><mi>s</mi></msub><mo>/</mo><msub><mi>D</mi><mi>o</mi></msub></mrow></math></span>. The liquid drop requires less time to pass through the constricted path at lower <span><math><mrow><mi>B</mi><mi>o</mi></mrow></math></span> for a given value of <span><math><mrow><msub><mi>D</mi><mi>s</mi></msub><mo>/</mo><msub><mi>D</mi><mi>o</mi></msub></mrow></math></span> and <span><math><mrow><mi>W</mi><mi>e</mi></mrow></math></span>. We have also attempted to quantify the drainage of liquid volume passes through the passage, which is denoted as <span><math><mrow><mo>(</mo><mrow><msup><mrow><mi>Q</mi></mrow><mo>*</mo></msup><mo>=</mo><mi>Q</mi><mo>/</mo><msub><mi>Q</mi><mi>o</mi></msub></mrow><mo>)</mo></mrow></math></span>. One can notice the increasing pattern of <span><math><mrow><mi>Q</mi><mo>/</mo><msub><mi>Q</mi><mi>o</mi></msub></mrow></math></span> with continuous progress of time stamp for all cases of <span><math><mrow><msub><mi>D</mi><mi>s</mi></msub><mo>/</mo><msub><mi>D</mi><mi>o</mi></msub","PeriodicalId":287,"journal":{"name":"Computers & Fluids","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141701950","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-11DOI: 10.1016/j.compfluid.2024.106368
Recently, Qi et al. (2022) and Guo et al. (2023) proposed two alternative designs of an efficient mesoscopic method using the total-energy double-distribution-function (DDF) formulation, hereafter referred to as the Qi model and the Guo model. The two models share the same advantage of using only 40 discrete particle velocities to fully reproduce the Navier–Stokes-Fourier (NSF) system. However, the Guo model is based on a more rigorous kinetic consideration, while the Qi model relies on a more general design of the source term to allow for adjustable bulk-to-shear viscosity ratio. In this paper, we derive lifting relations for the Qi model based on two alternative approaches, namely, the Hermite expansion and the Chapman–Enskog expansion, which can be used to construct the boundary and initial conditions for the mesoscopic method. For three-dimensional compressible turbulence simulations, including compressible decaying homogeneous isotropic turbulence and Taylor–Green vortex flows, the derived two sets of lifting relations are applied to the initialization distribution function to study their impacts. Interestingly, for the Qi model, the two sets of lifting relations yield the same results without numerical artifacts, whereas for the Guo model, an appropriate lifting relation must be specified to avoid numerical artifacts resulting from the flow initialization (Qi et al., 2023).
{"title":"Lifting relations for a generalized total-energy double-distribution-function kinetic model and their impact on compressible turbulence simulation","authors":"","doi":"10.1016/j.compfluid.2024.106368","DOIUrl":"10.1016/j.compfluid.2024.106368","url":null,"abstract":"<div><p>Recently, Qi et al. (2022) and Guo et al. (2023) proposed two alternative designs of an efficient mesoscopic method using the total-energy double-distribution-function (DDF) formulation, hereafter referred to as the Qi model and the Guo model. The two models share the same advantage of using only 40 discrete particle velocities to fully reproduce the Navier–Stokes-Fourier (NSF) system. However, the Guo model is based on a more rigorous kinetic consideration, while the Qi model relies on a more general design of the source term to allow for adjustable bulk-to-shear viscosity ratio. In this paper, we derive lifting relations for the Qi model based on two alternative approaches, namely, the Hermite expansion and the Chapman–Enskog expansion, which can be used to construct the boundary and initial conditions for the mesoscopic method. For three-dimensional compressible turbulence simulations, including compressible decaying homogeneous isotropic turbulence and Taylor–Green vortex flows, the derived two sets of lifting relations are applied to the initialization distribution function to study their impacts. Interestingly, for the Qi model, the two sets of lifting relations yield the same results without numerical artifacts, whereas for the Guo model, an appropriate lifting relation must be specified to avoid numerical artifacts resulting from the flow initialization (Qi et al., 2023).</p></div>","PeriodicalId":287,"journal":{"name":"Computers & Fluids","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141637544","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-11DOI: 10.1016/j.compfluid.2024.106366
Droplet-based microfluidics gained significant attention for its high technological impact in various fields like (bio)analysis and (bio)synthesis. Precise and controlled droplet size is critical, for the encapsulated products, or the yield of chemical reactions. In a broad range of experimental parameters, the understanding of how droplets form, interact and move with accurate predictive models is crucial. In this work, numerical prototypes of droplet generators were made with Basilisk, an open source software for solving partial differential equations on adaptive Cartesian meshes including grid adaptation and scalability for High-Performance Computing (HPC). This research aims to analyze and compare the obtained droplets against existing experimental data. The evaluation involves qualitative and quantitative comparisons, considering various channel geometries, flow rates, and rheological conditions. The validation of the proposed tool in terms of accuracy and computational performance, enable us to offer to the microfluidics community a reliable tool to design and optimize droplet generators.
{"title":"Accurate numerical prototypes of microfluidic droplet generators with open source tools","authors":"","doi":"10.1016/j.compfluid.2024.106366","DOIUrl":"10.1016/j.compfluid.2024.106366","url":null,"abstract":"<div><p>Droplet-based microfluidics gained significant attention for its high technological impact in various fields like (bio)analysis and (bio)synthesis. Precise and controlled droplet size is critical, for the encapsulated products, or the yield of chemical reactions. In a broad range of experimental parameters, the understanding of how droplets form, interact and move with accurate predictive models is crucial. In this work, numerical prototypes of droplet generators were made with Basilisk, an open source software for solving partial differential equations on adaptive Cartesian meshes including grid adaptation and scalability for High-Performance Computing (HPC). This research aims to analyze and compare the obtained droplets against existing experimental data. The evaluation involves qualitative and quantitative comparisons, considering various channel geometries, flow rates, and rheological conditions. The validation of the proposed tool in terms of accuracy and computational performance, enable us to offer to the microfluidics community a reliable tool to design and optimize droplet generators.</p></div>","PeriodicalId":287,"journal":{"name":"Computers & Fluids","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141690274","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-11DOI: 10.1016/j.compfluid.2024.106363
A numerical scheme with good spectral properties is important for the simulation of compressible flows with various of length scales for fine flow scales resolving. The MDAD-HY scheme (Li et al., 2022) using a discontinuity detector and scale sensor achieves the minimized dispersion and adaptive dissipation property. However, the discontinuity detector is devised based on the ratio of the 1st-order and 2nd-order derivatives on two sides of the interface introducing excessive numerical cost. To address this issue, an efficient hybrid WENO scheme with minimized dispersion and adaptive dissipation properties is proposed in this work. Based on the characteristic-decomposition approach, the numerical flux of the present hybrid scheme is achieved by switching between the linear MDAD scheme and the MDAD-WENO scheme according to a new efficient non-dimensional discontinuity detector. The linear flux is reconstructed in a component-wise method to decrease the characteristic-projection operations. To further improve the spectral property of the present scheme, an adaptive parameter controlling the contribution of the optimal linear scheme according to the discontinuity indicator is introduced. Several benchmark test cases involving broadband of length scales and discontinuities are adopted to verify the efficiency and the high-resolution capability of the present scheme.
{"title":"An efficient hybrid WENO scheme with minimized dispersion and adaptive dissipation properties for compressible flows","authors":"","doi":"10.1016/j.compfluid.2024.106363","DOIUrl":"10.1016/j.compfluid.2024.106363","url":null,"abstract":"<div><p>A numerical scheme with good spectral properties is important for the simulation of compressible flows with various of length scales for fine flow scales resolving. The MDAD-HY scheme (Li et al., 2022) using a discontinuity detector and scale sensor achieves the minimized dispersion and adaptive dissipation property. However, the discontinuity detector is devised based on the ratio of the 1st-order and 2nd-order derivatives on two sides of the interface introducing excessive numerical cost. To address this issue, an efficient hybrid WENO scheme with minimized dispersion and adaptive dissipation properties is proposed in this work. Based on the characteristic-decomposition approach, the numerical flux of the present hybrid scheme is achieved by switching between the linear MDAD scheme and the MDAD-WENO scheme according to a new efficient non-dimensional discontinuity detector. The linear flux is reconstructed in a component-wise method to decrease the characteristic-projection operations. To further improve the spectral property of the present scheme, an adaptive parameter controlling the contribution of the optimal linear scheme according to the discontinuity indicator is introduced. Several benchmark test cases involving broadband of length scales and discontinuities are adopted to verify the efficiency and the high-resolution capability of the present scheme.</p></div>","PeriodicalId":287,"journal":{"name":"Computers & Fluids","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141637545","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-10DOI: 10.1016/j.compfluid.2024.106362
To study the influence of energy accommodation of scattering gas molecules on flow fields during large expired spacecraft reentry, a more elaborated gas-surface interaction model, compared with full Maxwellian diffuse model, is employed in implicit algorithms based on Boltzmann model equation. The characteristic distributions around cylinder at different fluid regimes are accordingly obtained by implicit algorithms, Navier-Stokes solver and DSMC ((Direct Simulation Monte Carlo) method. And the consistency of these results is verified. It is confirmed that present algorithms are capable of solving external flow problems covering various fluid regimes. Then the simulation results see that under current conditions set in the paper, pressure and temperature are proportional to wall activation (, is surface temperature, denotes as free stream temperature), but their amplitudes alter with at different fluid regimes. As for the effects of energy accommodation coefficients (), both pressure and temperature profiles vary in a linear way with . However, the variation ranges of these parameters are diverse with regard to different fluid regimes. These observations are favor to the construction of efficient forecasting software, which could predict the flight path of large defunct spacecraft. In this forecasting software, the external ballistics computations and aerothermodynamic simulations are synchronously carried out.
{"title":"The effects of energy accommodation of reflected gas molecules on flow structures during expired spacecraft reentry","authors":"","doi":"10.1016/j.compfluid.2024.106362","DOIUrl":"10.1016/j.compfluid.2024.106362","url":null,"abstract":"<div><p>To study the influence of energy accommodation of scattering gas molecules on flow fields during large expired spacecraft reentry, a more elaborated gas-surface interaction model, compared with full Maxwellian diffuse model, is employed in implicit algorithms based on Boltzmann model equation. The characteristic distributions around cylinder at different fluid regimes are accordingly obtained by implicit algorithms, Navier-Stokes solver and DSMC ((Direct Simulation Monte Carlo) method. And the consistency of these results is verified. It is confirmed that present algorithms are capable of solving external flow problems covering various fluid regimes. Then the simulation results see that under current conditions set in the paper, pressure and temperature are proportional to wall activation (<span><math><mrow><mi>ω</mi><mo>=</mo><mrow><msub><mi>T</mi><mi>w</mi></msub><mo>/</mo><msub><mi>T</mi><mi>∞</mi></msub></mrow></mrow></math></span>, <span><math><msub><mi>T</mi><mi>w</mi></msub></math></span> is surface temperature, <span><math><msub><mi>T</mi><mi>∞</mi></msub></math></span> denotes as free stream temperature), but their amplitudes alter with <span><math><mi>ω</mi></math></span> at different fluid regimes. As for the effects of energy accommodation coefficients (<span><math><msub><mi>α</mi><mi>e</mi></msub></math></span>), both pressure and temperature profiles vary in a linear way with <span><math><msub><mi>α</mi><mi>e</mi></msub></math></span>. However, the variation ranges of these parameters are diverse with regard to different fluid regimes. These observations are favor to the construction of efficient forecasting software, which could predict the flight path of large defunct spacecraft. In this forecasting software, the external ballistics computations and aerothermodynamic simulations are synchronously carried out.</p></div>","PeriodicalId":287,"journal":{"name":"Computers & Fluids","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141694041","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}